| 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 | 41 | Very low | 55 | Low | 229 Ų | 229 | 162.8 Ų | 162.8 | 100% | 1.128 | 81% | 0.809 | S | S | * | * | 0 | 103.9 | 0 | -78.3 | -170.4 | -163.7 | 0 | 0 | 104 | E3 | M1-E3 PolarHBondContact O-N 2.76Š| |||
| 2 | D | 48.1 | Very low | 55.2 | Low | 163 Ų | 163 | 161.4 Ų | 161.4 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -78.4 | 108.6 | 176.7 | -62.5 | -52.9 | 0 | 0 | 0 | 106.4 | E4 | D2-E4 PolarHBondContact O-N 3.24Å; D2-E4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | E | 51.9 | Low | 55.5 | Low | 182 Ų | 182 | 157.2 Ų | 157.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 104.2 | 176.3 | -67 | -179.2 | 166.6 | 0 | 0 | 107.3 | M1 E5 | M1-E3 PolarHBondContact O-N 2.76Å; E3-E5 PolarHBondContact O-N 3.21Å; E3-E5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | E | 57.9 | Low | 56 | Low | 191 Ų | 191 | 154.4 Ų | 154.4 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -57.8 | 112.7 | 173.9 | -71.4 | 175.8 | 161 | 0 | 0 | 109 | D2 Q6 | D2-E4 PolarHBondContact O-N 3.24Å; D2-E4 VanDerWaalsContact O-N 3.16Å; E4-Q6 PolarHBondContact O-N 2.8Å | ||
| 5 | E | 61 | Low | 56.7 | Low | 151 Ų | 151 | 149.5 Ų | 149.5 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -59.2 | 107 | 177.9 | -67.3 | -179.7 | 164.2 | 0 | 0 | 109.8 | E3 F7 | E3-E5 PolarHBondContact O-N 3.21Å; E3-E5 VanDerWaalsContact O-N 3.1Å; E5-F7 HydrophobicContact CB-CD2 4.35Å; E5-F7 HydrophobicContact CB-CE2 3.76Å; E5-F7 HydrophobicContact CB-CZ 4.12Å; E5-F7 VanDerWaalsContact O-CD2 3.24Å; E5-F7 WeakPolarHBondContact O-CD2 3.41Å; E5-F7 PolarHBondContact O-N 3.22Å; E5-F7 WeakPolarHBondContact OE2-CZ 3.48Å | ||
| 6 | Q | 59.9 | Low | 57.9 | Low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -75.1 | 92.5 | 175.7 | -175 | 167.6 | 6.9 | 0 | 0 | 109.5 | E4 V8 | E4-Q6 PolarHBondContact O-N 2.8Å; Q6-V8 PolarHBondContact O-N 2.86Å; Q6-V8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | F | 51.9 | Low | 59.5 | Low | 164 Ų | 164 | 138.2 Ų | 138.2 | 72% | 0.719 | 70% | 0.698 | S | S | * | * | trans | -69.3 | 106.7 | 171.6 | -67.3 | -84.3 | 0 | 0 | 0 | 110 | E5 N9 | E5-F7 HydrophobicContact CB-CD2 4.35Å; E5-F7 HydrophobicContact CB-CE2 3.76Å; E5-F7 HydrophobicContact CB-CZ 4.12Å; E5-F7 VanDerWaalsContact O-CD2 3.24Å; E5-F7 WeakPolarHBondContact O-CD2 3.41Å; E5-F7 PolarHBondContact O-N 3.22Å; E5-F7 WeakPolarHBondContact OE2-CZ 3.48Å; F7-N9 PolarHBondContact O-N 3.41Å | ||
| 8 | V | 60.5 | Low | 61.1 | Low | 114 Ų | 114 | 130.5 Ų | 130.5 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | trans | -76.5 | 113.6 | 168.3 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | Q6 I10 | Q6-V8 PolarHBondContact O-N 2.86Å; Q6-V8 VanDerWaalsContact O-N 3.13Å; V8-I10 PolarHBondContact O-N 3.28Å | ||
| 9 | N | 60.2 | Low | 62.5 | Low | 157 Ų | 157 | 125.3 Ų | 125.3 | 84% | 0.84 | 64% | 0.636 | S | S | * | * | trans | -66.6 | 101.8 | 168.4 | -76.2 | -33.8 | 0 | 0 | 0 | 108.3 | F7 D11 | F7-N9 PolarHBondContact O-N 3.41Å; N9-D11 PolarHBondContact O-N 3.44Å | ||
| 10 | I | 55.5 | Low | 63.7 | Low | 136 Ų | 136 | 121.7 Ų | 121.7 | 70% | 0.697 | 62% | 0.62 | S | S | * | * | trans | -74.4 | 110.1 | 169.3 | -57.8 | 171.4 | 0 | 0 | 0 | 106.3 | V8 L12 | V8-I10 PolarHBondContact O-N 3.28Å; I10-L12 HydrophobicContact CG2-CD2 4.46Å; I10-L12 PolarHBondContact O-N 2.88Å | ||
| 11 | D | 57 | Low | 64.9 | Low | 126 Ų | 126 | 118.2 Ų | 118.2 | 67% | 0.674 | 61% | 0.606 | S | S | * | * | trans | -68.3 | 111.4 | 173.2 | -168.3 | 0.9 | 0 | 0 | 0 | 108.9 | N9 N13 | N9-D11 PolarHBondContact O-N 3.44Å; D11-N13 VanDerWaalsContact C-N 3.26Å; D11-N13 WeakPolarHBondContact OD1-CB 3.26Å; D11-N13 PolarHBondContact OD1-N 3.44Å | ||
| 12 | L | 57.2 | Low | 67.2 | Low | 146 Ų | 146 | 114.3 Ų | 114.3 | 76% | 0.764 | 58% | 0.583 | S | S | * | * | trans | -87.4 | 12.4 | 179.7 | -69.5 | 172.5 | 0 | 0 | 0 | 112.4 | I10 D14 | I10-L12 HydrophobicContact CG2-CD2 4.46Å; I10-L12 PolarHBondContact O-N 2.88Å; L12-D14 PolarHBondContact O-N 3.49Å; L12-D14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | N | 59.8 | Low | 69.1 | Low | 106 Ų | 106 | 111.7 Ų | 111.7 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | trans | -70.6 | 108.6 | 173.3 | -92.6 | -1.8 | 0 | 0 | 0 | 110.1 | D11 D15 | D11-N13 VanDerWaalsContact C-N 3.26Å; D11-N13 WeakPolarHBondContact OD1-CB 3.26Å; D11-N13 PolarHBondContact OD1-N 3.44Å; N13-D15 PolarHBondContact O-N 2.86Å | ||
| 14 | D | 61.9 | Low | 70.6 | Confident | 119 Ų | 119 | 111 Ų | 111 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | trans | -63.7 | 40.2 | 168.7 | -68.1 | -31.6 | 0 | 0 | 0 | 112.8 | L12 N16 I17 | L12-D14 PolarHBondContact O-N 3.49Å; L12-D14 VanDerWaalsContact O-N 3.09Å; D14-N16 PolarHBondContact O-N 3.16Å; D14-I17 HydrophobicContact CB-CB 4.26Å; D14-I17 HydrophobicContact CB-CD1 3.76Å; D14-I17 HydrophobicContact CB-CG1 3.96Å; D14-I17 PolarHBondContact O-N 3.37Å | ||
| 15 | D | 66.9 | Low | 71.6 | Confident | 81 Ų | 81 | 103.6 Ų | 103.6 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -6.4 | -174.9 | -77.1 | -24.2 | 0 | 0 | 0 | 113.7 | N13 R56 | N13-D15 PolarHBondContact O-N 2.86Å; D15-R56 WeakPolarHBondContact O-CD 3.35Å; D15-R56 PolarHBondContact O-NH1 3.38Å |
| 16 | N | 75.9 | Confident | 72.4 | Confident | 58 Ų | 58 | 104 Ų | 104 | 31% | 0.31 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 2.5 | 179.3 | -67.1 | -28.3 | 0 | 0 | 0 | 112.9 | D14 E24 T25 T27 L30 | D14-N16 PolarHBondContact O-N 3.16Å; N16-E24 CarbonylContact O-C 3.55Å; N16-E24 WeakPolarHBondContact O-CA 3.15Å; N16-T25 WeakPolarHBondContact CB-O 3.19Å; N16-T25 PolarHBondContact O-N 3.48Å; N16-T25 PolarHBondContact O-OG1 3.23Å; N16-T27 WeakPolarHBondContact OD1-CA 3.5Å; N16-L30 VanDerWaalsContact C-CD1 3.41Å |
| 17 | I | 85.4 | Confident | 72.6 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 25% | 0.246 | 53% | 0.531 | C | S | . | . | B | Isolated β-bridge | trans | -99.5 | 125.2 | 176.6 | -54.7 | -175 | 0 | 0 | 0 | 109.9 | D14 S19 E24 | D14-I17 HydrophobicContact CB-CB 4.26Å; D14-I17 HydrophobicContact CB-CD1 3.76Å; D14-I17 HydrophobicContact CB-CG1 3.96Å; D14-I17 PolarHBondContact O-N 3.37Å; I17-S19 PolarHBondContact O-N 3.16Å; I17-E24 HydrophobicContact CD1-CG 4.43Å; I17-E24 HydrophobicContact CG1-CG 4.05Å |
| 18 | C | 87.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 96.5 Ų | 96.5 | 0% | 0 | 53% | 0.527 | C | S | . | . | trans | -65.8 | 120.8 | 174.4 | 177 | 0 | 0 | 0 | 0 | 110.6 | V20 C21 K22 L23 L30 H58 | C18-V20 PolarHBondContact O-N 3.24Å; C18-V20 PolarHBondContact SG-N 2.85Å; C18-C21 WeakPolarHBondContact CB-SG 3.24Å; C18-K22 VanDerWaalsContact O-CA 3.23Å; C18-K22 WeakPolarHBondContact O-CA 3.34Å; C18-K22 PolarHBondContact O-N 3.38Å; C18-L23 PolarHBondContact N-O 3.47Å; C18-L30 HydrophobicContact CB-CD2 3.91Å; C18-H58 PolarHBondContact SG-N 3.01Å | ||
| 19 | S | 87.1 | Confident | 74.1 | Confident | 31 Ų | 31 | 94.3 Ų | 94.3 | 22% | 0.217 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.9 | 178.5 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | I17 K22 R56 | I17-S19 PolarHBondContact O-N 3.16Å; S19-K22 VanDerWaalsContact O-CE 3.3Å; S19-K22 WeakPolarHBondContact O-CE 3.36Å; S19-K22 PolarHBondContact O-NZ 2.86Å; S19-R56 VanDerWaalsContact CB-O 3.27Å; S19-R56 WeakPolarHBondContact CB-O 3.19Å; S19-R56 PolarHBondContact N-O 3.04Å; S19-R56 PolarHBondContact OG-O 3.42Å |
| 20 | V | 87.5 | Confident | 75.1 | Confident | 53 Ų | 53 | 87.2 Ų | 87.2 | 32% | 0.321 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -59.3 | -179 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | C18 C61 F62 C65 | C18-V20 PolarHBondContact O-N 3.24Å; C18-V20 PolarHBondContact SG-N 2.85Å; V20-C61 HydrophobicContact CB-CB 3.73Å; V20-C61 HydrophobicContact CG1-CB 3.83Å; V20-C61 HydrophobicContact CG2-CB 4.05Å; V20-F62 HydrophobicContact CG2-CD1 4.01Å; V20-F62 HydrophobicContact CG2-CE1 3.86Å; V20-C65 WeakPolarHBondContact CG1-SG 3.23Å |
| 21 | C | 89 | Confident | 76.5 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -6.4 | -175.1 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | C18 L23 | C18-C21 WeakPolarHBondContact CB-SG 3.24Å; C21-L23 HydrophobicContact CB-CG 4.35Å; C21-L23 PolarHBondContact O-N 3.33Å |
| 22 | K | 89.3 | Confident | 77.9 | Confident | 147 Ų | 147 | 82.1 Ų | 82.1 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | trans | 58.4 | 23.8 | -179.9 | -49.8 | -54.2 | -170.6 | -172.7 | 0 | 114.4 | C18 S19 | C18-K22 VanDerWaalsContact O-CA 3.23Å; C18-K22 WeakPolarHBondContact O-CA 3.34Å; C18-K22 PolarHBondContact O-N 3.38Å; S19-K22 VanDerWaalsContact O-CE 3.3Å; S19-K22 WeakPolarHBondContact O-CE 3.36Å; S19-K22 PolarHBondContact O-NZ 2.86Å | ||
| 23 | L | 87.5 | Confident | 79.4 | Confident | 109 Ų | 109 | 75.6 Ų | 75.6 | 57% | 0.571 | 42% | 0.415 | S | S | * | . | trans | -93.2 | 137.4 | 174.2 | -60.2 | 178.8 | 0 | 0 | 0 | 110.1 | C18 C21 T25 | C18-L23 PolarHBondContact N-O 3.47Å; C21-L23 HydrophobicContact CB-CG 4.35Å; C21-L23 PolarHBondContact O-N 3.33Å; L23-T25 PolarHBondContact O-OG1 2.97Å | ||
| 24 | E | 83.7 | Confident | 80.7 | Confident | 167 Ų | 167 | 74 Ų | 74 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | B | Isolated β-bridge | trans | -64.8 | 137.9 | 166.7 | -73 | 175.2 | -164.8 | 0 | 0 | 109.7 | N16 I17 | N16-E24 CarbonylContact O-C 3.55Å; N16-E24 WeakPolarHBondContact O-CA 3.15Å; I17-E24 HydrophobicContact CD1-CG 4.43Å; I17-E24 HydrophobicContact CG1-CG 4.05Å |
| 25 | T | 79.4 | Confident | 81.8 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 22% | 0.221 | 39% | 0.386 | C | S | . | . | trans | -142.3 | 150.4 | -175.4 | -17.8 | 0 | 0 | 0 | 0 | 110.5 | N16 L23 T29 H58 | N16-T25 WeakPolarHBondContact CB-O 3.19Å; N16-T25 PolarHBondContact O-N 3.48Å; N16-T25 PolarHBondContact O-OG1 3.23Å; L23-T25 PolarHBondContact O-OG1 2.97Å; T25-T29 WeakPolarHBondContact CB-OG1 3.24Å; T25-T29 WeakPolarHBondContact CG2-OG1 3.37Å; T25-H58 WeakPolarHBondContact CG2-NE2 3.24Å; T25-H58 PolarHBondContact OG1-CE1 3.48Å; T25-H58 PolarHBondContact OG1-NE2 2.86Å; T25-H58 VanDerWaalsContact OG1-NE2 3.09Å | ||
| 26 | E | 77.3 | Confident | 82.7 | Confident | 160 Ų | 160 | 66.7 Ų | 66.7 | 75% | 0.748 | 37% | 0.367 | S | S | * | . | trans | -58.2 | 141.6 | -179.5 | -66.4 | 178.5 | -178.1 | 0 | 0 | 112.3 | G28 T29 | E26-G28 PolarHBondContact O-N 3.38Å; E26-G28 VanDerWaalsContact O-N 3.15Å; E26-T29 HydrophobicContact CB-CG2 4.29Å; E26-T29 PolarHBondContact O-N 3.43Å; E26-T29 VanDerWaalsContact O-N 3.13Å; E26-T29 PolarHBondContact O-OG1 2.86Å | ||
| 27 | T | 64.8 | Low | 83.2 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 74% | 0.736 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 118 | -178.3 | -38.2 | 0 | 0 | 0 | 0 | 111 | N16 | N16-T27 WeakPolarHBondContact OD1-CA 3.5Š|
| 28 | G | 65.6 | Low | 83.3 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.1 | -4.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | E26 | E26-G28 PolarHBondContact O-N 3.38Å; E26-G28 VanDerWaalsContact O-N 3.15Å |
| 29 | T | 76.9 | Confident | 83.1 | Confident | 69 Ų | 69 | 77 Ų | 77 | 42% | 0.423 | 41% | 0.412 | S | S | . | . | trans | -86.7 | -16 | 173.9 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | T25 E26 | T25-T29 WeakPolarHBondContact CB-OG1 3.24Å; T25-T29 WeakPolarHBondContact CG2-OG1 3.37Å; E26-T29 HydrophobicContact CB-CG2 4.29Å; E26-T29 PolarHBondContact O-N 3.43Å; E26-T29 VanDerWaalsContact O-N 3.13Å; E26-T29 PolarHBondContact O-OG1 2.86Å | ||
| 30 | L | 82.7 | Confident | 82.9 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 4% | 0.037 | 42% | 0.42 | C | S | . | . | trans | -89.5 | 131.6 | 176.5 | -56.5 | -178 | 0 | 0 | 0 | 111.5 | N16 C18 R56 H58 | N16-L30 VanDerWaalsContact C-CD1 3.41Å; C18-L30 HydrophobicContact CB-CD2 3.91Å; L30-R56 HydrophobicContact CB-CG 3.46Å; L30-R56 VanDerWaalsContact CB-CG 3.46Å; L30-R56 HydrophobicContact CD1-CG 4.15Å; L30-R56 HydrophobicContact CG-CG 4.46Å; L30-H58 VanDerWaalsContact CD2-CD2 3.49Å; L30-H58 WeakPolarHBondContact CD2-CD2 3.13Å | ||
| 31 | S | 83.2 | Confident | 82.7 | Confident | 43 Ų | 43 | 81.4 Ų | 81.4 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 167.1 | -178.3 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | R56 G57 F62 | S31-R56 CarbonylContact O-C 3.59Å; S31-R56 WeakPolarHBondContact O-CA 3.32Å; S31-G57 PolarHBondContact N-O 3.21Å; S31-G57 PolarHBondContact O-N 2.85Å; S31-G57 PolarHBondContact OG-O 2.95Å; S31-F62 WeakPolarHBondContact O-CE2 3.47Å |
| 32 | F | 87.1 | Confident | 82.5 | Confident | 112 Ų | 112 | 86.2 Ų | 86.2 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 156.8 | 165.9 | -62.2 | -71.1 | 0 | 0 | 0 | 110.4 | H34 S54 L55 | F32-H34 PolarHBondContact O-N 3.1Å; F32-S54 WeakPolarHBondContact CD1-OG 3.32Å; F32-S54 WeakPolarHBondContact CE1-OG 3.42Å; F32-L55 WeakPolarHBondContact CA-O 3.29Å |
| 33 | C | 89.2 | Confident | 82.1 | Confident | 9 Ų | 9 | 82.2 Ų | 82.2 | 6% | 0.061 | 45% | 0.453 | C | S | . | . | trans | -65.7 | 102.1 | 174.7 | -177 | 0 | 0 | 0 | 0 | 110.8 | V35 C36 F37 H51 F62 H66 | C33-V35 VanDerWaalsContact C-N 3.31Å; C33-V35 PolarHBondContact O-N 2.77Å; C33-C36 HydrophobicContact CB-CB 4.3Å; C33-F37 WeakPolarHBondContact O-CB 3.39Å; C33-F37 PolarHBondContact O-N 2.85Å; C33-F37 VanDerWaalsContact O-N 3.07Å; C33-H51 PolarHBondContact SG-ND1 2.84Å; C33-H51 VanDerWaalsContact SG-ND1 3.36Å; C33-F62 HydrophobicContact CB-CB 4.44Å; C33-F62 HydrophobicContact CB-CD1 3.8Å; C33-F62 HydrophobicContact CB-CD2 4.04Å; C33-F62 HydrophobicContact CB-CE1 3.97Å; C33-F62 HydrophobicContact CB-CE2 4.19Å; C33-F62 HydrophobicContact CB-CG 3.83Å; C33-F62 HydrophobicContact CB-CZ 4.16Å; C33-H66 PolarHBondContact SG-NE2 2.92Å | ||
| 34 | H | 86.4 | Confident | 81.9 | Confident | 73 Ų | 73 | 79.4 Ų | 79.4 | 34% | 0.338 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.6 | -36.2 | -179.8 | 61.2 | -82 | 0 | 0 | 0 | 112.9 | F32 F37 E38 | F32-H34 PolarHBondContact O-N 3.1Å; H34-F37 PolarHBondContact O-N 3.27Å; H34-E38 WeakPolarHBondContact O-CB 3.3Å; H34-E38 PolarHBondContact O-N 2.67Å |
| 35 | V | 86.3 | Confident | 81.8 | Confident | 40 Ų | 40 | 76 Ų | 76 | 24% | 0.242 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65 | -51.6 | -179.9 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | C33 F37 E38 L39 | C33-V35 VanDerWaalsContact C-N 3.31Å; C33-V35 PolarHBondContact O-N 2.77Å; V35-F37 VanDerWaalsContact C-N 3.26Å; V35-F37 PolarHBondContact O-N 2.83Å; V35-E38 PolarHBondContact O-N 3.4Å; V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 VanDerWaalsContact O-CG 3.26Å; V35-L39 WeakPolarHBondContact O-CG 3.39Å; V35-L39 PolarHBondContact O-N 2.72Å; V35-L39 VanDerWaalsContact O-N 3.12Å |
| 36 | C | 85.6 | Confident | 81.8 | Confident | 7 Ų | 7 | 77.9 Ų | 77.9 | 5% | 0.047 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 176.8 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | C33 S40 H51 H66 | C33-C36 HydrophobicContact CB-CB 4.3Å; C36-S40 WeakPolarHBondContact O-CB 3.24Å; C36-S40 PolarHBondContact O-N 2.78Å; C36-H51 HydrophobicContact CB-CB 4.27Å; C36-H51 PolarHBondContact SG-N 2.84Å; C36-H51 VanDerWaalsContact SG-N 3.42Å; C36-H51 PolarHBondContact SG-ND1 2.81Å; C36-H51 VanDerWaalsContact SG-ND1 3.38Å; C36-H66 PolarHBondContact SG-CE1 3.43Å; C36-H66 PolarHBondContact SG-NE2 3.27Å; C36-H66 VanDerWaalsContact SG-NE2 3.39Å |
| 37 | F | 85.8 | Confident | 82 | Confident | 132 Ų | 132 | 74.9 Ų | 74.9 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.8 | -46.9 | 177.6 | -177.9 | -105.6 | 0 | 0 | 0 | 111.9 | C33 H34 V35 L39 S40 I41 | C33-F37 WeakPolarHBondContact O-CB 3.39Å; C33-F37 PolarHBondContact O-N 2.85Å; C33-F37 VanDerWaalsContact O-N 3.07Å; H34-F37 PolarHBondContact O-N 3.27Å; V35-F37 VanDerWaalsContact C-N 3.26Å; V35-F37 PolarHBondContact O-N 2.83Å; F37-L39 PolarHBondContact O-N 2.93Å; F37-S40 WeakPolarHBondContact O-CB 3.47Å; F37-S40 PolarHBondContact O-N 3.18Å; F37-S40 PolarHBondContact O-OG 3.29Å; F37-I41 HydrophobicContact CD1-CD1 3.95Å; F37-I41 HydrophobicContact CE1-CD1 3.45Å; F37-I41 VanDerWaalsContact CE1-CD1 3.45Å; F37-I41 HydrophobicContact CE2-CD1 4.39Å; F37-I41 HydrophobicContact CZ-CD1 3.71Å; F37-I41 PolarHBondContact O-N 2.75Å |
| 38 | E | 86.5 | Confident | 82.9 | Confident | 131 Ų | 131 | 73.2 Ų | 73.2 | 61% | 0.612 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.1 | -45.9 | 177.3 | -170.6 | 168.7 | -163.3 | 0 | 0 | 111.5 | H34 V35 S40 I41 E42 | H34-E38 WeakPolarHBondContact O-CB 3.3Å; H34-E38 PolarHBondContact O-N 2.67Å; V35-E38 PolarHBondContact O-N 3.4Å; E38-S40 VanDerWaalsContact C-N 3.27Å; E38-S40 PolarHBondContact O-N 3.22Å; E38-I41 PolarHBondContact O-N 3.02Å; E38-I41 VanDerWaalsContact O-N 3.08Å; E38-E42 PolarHBondContact O-N 2.92Å |
| 39 | L | 83.8 | Confident | 83.8 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.6 | -32.7 | 176.2 | -67.5 | 172.2 | 0 | 0 | 0 | 112.7 | V35 F37 I41 E42 G43 V44 L49 | V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 VanDerWaalsContact O-CG 3.26Å; V35-L39 WeakPolarHBondContact O-CG 3.39Å; V35-L39 PolarHBondContact O-N 2.72Å; V35-L39 VanDerWaalsContact O-N 3.12Å; F37-L39 PolarHBondContact O-N 2.93Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-E42 PolarHBondContact O-N 2.82Å; L39-G43 PolarHBondContact O-N 2.93Å; L39-V44 HydrophobicContact CB-CB 4.28Å; L39-V44 HydrophobicContact CB-CG2 4.18Å; L39-V44 HydrophobicContact CD2-CG2 4.29Å; L39-V44 VanDerWaalsContact O-CB 3.24Å; L39-V44 WeakPolarHBondContact O-CB 3.23Å; L39-V44 WeakPolarHBondContact O-CG2 3.41Å; L39-V44 PolarHBondContact O-N 2.8Å; L39-L49 HydrophobicContact CB-CD2 3.42Å; L39-L49 VanDerWaalsContact CB-CD2 3.42Å; L39-L49 HydrophobicContact CD1-CD2 3.94Å; L39-L49 HydrophobicContact CG-CD2 4.34Å |
| 40 | S | 83.7 | Confident | 84.2 | Confident | 56 Ų | 56 | 72.3 Ų | 72.3 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.1 | -33.8 | 175.4 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | C36 F37 E38 G43 | C36-S40 WeakPolarHBondContact O-CB 3.24Å; C36-S40 PolarHBondContact O-N 2.78Å; F37-S40 WeakPolarHBondContact O-CB 3.47Å; F37-S40 PolarHBondContact O-N 3.18Å; F37-S40 PolarHBondContact O-OG 3.29Å; E38-S40 VanDerWaalsContact C-N 3.27Å; E38-S40 PolarHBondContact O-N 3.22Å; S40-G43 PolarHBondContact O-N 3.3Å |
| 41 | I | 83.1 | Confident | 84.3 | Confident | 122 Ų | 122 | 73.5 Ų | 73.5 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -74.5 | -34.1 | 174.9 | -63.5 | 169.8 | 0 | 0 | 0 | 110.5 | F37 E38 L39 G43 | F37-I41 HydrophobicContact CD1-CD1 3.95Å; F37-I41 HydrophobicContact CE1-CD1 3.45Å; F37-I41 VanDerWaalsContact CE1-CD1 3.45Å; F37-I41 HydrophobicContact CE2-CD1 4.39Å; F37-I41 HydrophobicContact CZ-CD1 3.71Å; F37-I41 PolarHBondContact O-N 2.75Å; E38-I41 PolarHBondContact O-N 3.02Å; E38-I41 VanDerWaalsContact O-N 3.08Å; L39-I41 VanDerWaalsContact C-N 3.34Å; I41-G43 PolarHBondContact O-N 3.37Å; I41-G43 VanDerWaalsContact O-N 3.12Å |
| 42 | E | 84.9 | Confident | 83.8 | Confident | 150 Ų | 150 | 76 Ų | 76 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -0.6 | 174.3 | -154.8 | 173.7 | -175.1 | 0 | 0 | 113.3 | E38 L39 | E38-E42 PolarHBondContact O-N 2.92Å; L39-E42 PolarHBondContact O-N 2.82Å |
| 43 | G | 81.2 | Confident | 83.2 | Confident | 63 Ų | 63 | 78.7 Ų | 78.7 | 65% | 0.649 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 12.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L39 S40 I41 | L39-G43 PolarHBondContact O-N 2.93Å; S40-G43 PolarHBondContact O-N 3.3Å; I41-G43 PolarHBondContact O-N 3.37Å; I41-G43 VanDerWaalsContact O-N 3.12Å |
| 44 | V | 82.6 | Confident | 82.4 | Confident | 49 Ų | 49 | 82.4 Ų | 82.4 | 30% | 0.297 | 48% | 0.479 | S | S | . | . | trans | -69.3 | 131.4 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | L39 L49 | L39-V44 HydrophobicContact CB-CB 4.28Å; L39-V44 HydrophobicContact CB-CG2 4.18Å; L39-V44 HydrophobicContact CD2-CG2 4.29Å; L39-V44 VanDerWaalsContact O-CB 3.24Å; L39-V44 WeakPolarHBondContact O-CB 3.23Å; L39-V44 WeakPolarHBondContact O-CG2 3.41Å; L39-V44 PolarHBondContact O-N 2.8Å; V44-L49 HydrophobicContact CB-CD2 4.16Å; V44-L49 HydrophobicContact CG1-CD2 3.87Å; V44-L49 HydrophobicContact CG1-CG 4.43Å | ||
| 45 | T | 82.5 | Confident | 82.2 | Confident | 95 Ų | 95 | 81.6 Ų | 81.6 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | trans | -63.8 | 142.6 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | A47 S48 | T45-A47 PolarHBondContact O-N 2.88Å; T45-S48 PolarHBondContact O-N 2.84Å | ||
| 46 | S | 78.1 | Confident | 82.2 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 53% | 0.531 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.4 | -179.9 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | S48 S52 | S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S52 WeakPolarHBondContact O-CB 3.29Å |
| 47 | A | 82.6 | Confident | 82.3 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 80% | 0.802 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -23.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T45 | T45-A47 PolarHBondContact O-N 2.88Š|
| 48 | S | 82.4 | Confident | 82.5 | Confident | 86 Ų | 86 | 79 Ų | 79 | 60% | 0.601 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.2 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 113 | T45 S46 | T45-S48 PolarHBondContact O-N 2.84Å; S46-S48 VanDerWaalsContact C-N 3.34Å |
| 49 | L | 85.5 | Confident | 82.6 | Confident | 22 Ų | 22 | 80.2 Ų | 80.2 | 12% | 0.115 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -82.2 | 145.4 | 176.1 | -60 | 179.1 | 0 | 0 | 0 | 110.2 | L39 V44 H51 | L39-L49 HydrophobicContact CB-CD2 3.42Å; L39-L49 VanDerWaalsContact CB-CD2 3.42Å; L39-L49 HydrophobicContact CD1-CD2 3.94Å; L39-L49 HydrophobicContact CG-CD2 4.34Å; V44-L49 HydrophobicContact CB-CD2 4.16Å; V44-L49 HydrophobicContact CG1-CD2 3.87Å; V44-L49 HydrophobicContact CG1-CG 4.43Å; L49-H51 PolarHBondContact O-N 2.78Å |
| 50 | L | 85 | Confident | 82.9 | Confident | 91 Ų | 91 | 82.2 Ų | 82.2 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -66.7 | -27.3 | 173.8 | -69.9 | 174.3 | 0 | 0 | 0 | 112.5 | H66 A69 | L50-H66 WeakPolarHBondContact CD1-ND1 3.42Å; L50-A69 HydrophobicContact CD1-CB 3.28Å; L50-A69 HydrophobicContact CD2-CB 3.71Å; L50-A69 HydrophobicContact CG-CB 4.15Å |
| 51 | H | 85.8 | Confident | 83.3 | Confident | 31 Ų | 31 | 80.6 Ų | 80.6 | 14% | 0.144 | 46% | 0.458 | C | S | . | . | trans | -124.9 | 104.6 | 177.4 | -48.3 | 122.9 | 0 | 0 | 0 | 108.6 | C33 C36 L49 L55 F62 H66 | C33-H51 PolarHBondContact SG-ND1 2.84Å; C33-H51 VanDerWaalsContact SG-ND1 3.36Å; C36-H51 HydrophobicContact CB-CB 4.27Å; C36-H51 PolarHBondContact SG-N 2.84Å; C36-H51 VanDerWaalsContact SG-N 3.42Å; C36-H51 PolarHBondContact SG-ND1 2.81Å; C36-H51 VanDerWaalsContact SG-ND1 3.38Å; L49-H51 PolarHBondContact O-N 2.78Å; H51-L55 HydrophobicContact CB-CD1 4.16Å; H51-F62 AromaticContact CE1-CD1 3.61Å; H51-H66 AromaticContact CE1-CD2 3.99Å; H51-H66 AromaticContact CE1-NE2 3.6Å; H51-H66 AromaticContact ND1-NE2 3.63Å | ||
| 52 | S | 71.6 | Confident | 83.7 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 68% | 0.678 | 43% | 0.428 | S | S | * | . | trans | -86.1 | -18.7 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | S46 | S46-S52 WeakPolarHBondContact O-CB 3.29Š| ||
| 53 | K | 75.1 | Confident | 83.9 | Confident | 167 Ų | 167 | 72.2 Ų | 72.2 | 73% | 0.726 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -107.9 | 148.5 | 173 | -169.7 | 174 | -179.5 | -178.5 | 0 | 109.2 | L55 | K53-L55 PolarHBondContact O-N 2.78Š|
| 54 | S | 71.8 | Confident | 84.4 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 61% | 0.608 | 41% | 0.412 | S | S | * | . | trans | -63.8 | 99.6 | 173.2 | -163.2 | 0 | 0 | 0 | 0 | 109.7 | F32 | F32-S54 WeakPolarHBondContact CD1-OG 3.32Å; F32-S54 WeakPolarHBondContact CE1-OG 3.42Å | ||
| 55 | L | 82.3 | Confident | 84.7 | Confident | 57 Ų | 57 | 75 Ų | 75 | 30% | 0.298 | 41% | 0.41 | S | S | . | . | trans | -97.3 | 138.4 | 179.5 | -67.6 | 180 | 0 | 0 | 0 | 109.8 | F32 H51 K53 F62 | F32-L55 WeakPolarHBondContact CA-O 3.29Å; H51-L55 HydrophobicContact CB-CD1 4.16Å; K53-L55 PolarHBondContact O-N 2.78Å; L55-F62 HydrophobicContact CB-CE1 4.09Å; L55-F62 HydrophobicContact CB-CZ 4.03Å; L55-F62 WeakPolarHBondContact O-CZ 3.19Å | ||
| 56 | R | 85.6 | Confident | 85 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.5 | 176.4 | -173.9 | 166.9 | -121 | -110.9 | 1.9 | 109.6 | D15 S19 L30 S31 | D15-R56 WeakPolarHBondContact O-CD 3.35Å; D15-R56 PolarHBondContact O-NH1 3.38Å; S19-R56 VanDerWaalsContact CB-O 3.27Å; S19-R56 WeakPolarHBondContact CB-O 3.19Å; S19-R56 PolarHBondContact N-O 3.04Å; S19-R56 PolarHBondContact OG-O 3.42Å; L30-R56 HydrophobicContact CB-CG 3.46Å; L30-R56 VanDerWaalsContact CB-CG 3.46Å; L30-R56 HydrophobicContact CD1-CG 4.15Å; L30-R56 HydrophobicContact CG-CG 4.46Å; S31-R56 CarbonylContact O-C 3.59Å; S31-R56 WeakPolarHBondContact O-CA 3.32Å |
| 57 | G | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | 168.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S31 F62 | S31-G57 PolarHBondContact N-O 3.21Å; S31-G57 PolarHBondContact O-N 2.85Å; S31-G57 PolarHBondContact OG-O 2.95Å; G57-F62 VanDerWaalsContact CA-CE2 3.48Å |
| 58 | H | 90.6 | Very high | 85.9 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | trans | -63.3 | 142.8 | 172.7 | -56.7 | 123.5 | 0 | 0 | 0 | 110.9 | C18 T25 L30 D60 C61 F62 | C18-H58 PolarHBondContact SG-N 3.01Å; T25-H58 WeakPolarHBondContact CG2-NE2 3.24Å; T25-H58 PolarHBondContact OG1-CE1 3.48Å; T25-H58 PolarHBondContact OG1-NE2 2.86Å; T25-H58 VanDerWaalsContact OG1-NE2 3.09Å; L30-H58 VanDerWaalsContact CD2-CD2 3.49Å; L30-H58 WeakPolarHBondContact CD2-CD2 3.13Å; H58-D60 VanDerWaalsContact C-N 3.28Å; H58-D60 PolarHBondContact O-N 2.95Å; H58-C61 HydrophobicContact CB-CB 3.97Å; H58-C61 WeakPolarHBondContact O-CB 3.4Å; H58-C61 PolarHBondContact O-N 3.08Å; H58-C61 VanDerWaalsContact O-N 3.14Å; H58-F62 VanDerWaalsContact O-CD2 3.29Å; H58-F62 WeakPolarHBondContact O-CD2 3.36Å; H58-F62 PolarHBondContact O-N 3.3Å; H58-F62 VanDerWaalsContact O-N 3.16Å | ||
| 59 | R | 89.1 | Confident | 86.1 | Confident | 156 Ų | 156 | 72.1 Ų | 72.1 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -52.6 | -49 | 173.4 | -177.2 | -178.7 | 173.6 | 153.2 | 2 | 111.3 | C61 F62 E63 | R59-C61 VanDerWaalsContact C-N 3.29Å; R59-C61 PolarHBondContact O-N 3.02Å; R59-F62 PolarHBondContact O-N 3.49Å; R59-E63 PolarHBondContact O-N 3.38Å |
| 60 | D | 89.6 | Confident | 85.8 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.8 | -32.7 | -178.6 | -59.4 | -1.1 | 0 | 0 | 0 | 112.7 | H58 K64 | H58-D60 VanDerWaalsContact C-N 3.28Å; H58-D60 PolarHBondContact O-N 2.95Å; D60-K64 WeakPolarHBondContact O-CB 3.26Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.24Å; D60-K64 PolarHBondContact O-N 3.12Å |
| 61 | C | 91.4 | Very high | 85.7 | Confident | 21 Ų | 21 | 78.5 Ų | 78.5 | 14% | 0.142 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 176 | -75.6 | 0 | 0 | 0 | 0 | 110.8 | V20 H58 R59 K64 C65 | V20-C61 HydrophobicContact CB-CB 3.73Å; V20-C61 HydrophobicContact CG1-CB 3.83Å; V20-C61 HydrophobicContact CG2-CB 4.05Å; H58-C61 HydrophobicContact CB-CB 3.97Å; H58-C61 WeakPolarHBondContact O-CB 3.4Å; H58-C61 PolarHBondContact O-N 3.08Å; H58-C61 VanDerWaalsContact O-N 3.14Å; R59-C61 VanDerWaalsContact C-N 3.29Å; R59-C61 PolarHBondContact O-N 3.02Å; C61-K64 PolarHBondContact O-N 3.4Å; C61-C65 PolarHBondContact O-N 3.03Å; C61-C65 PolarHBondContact O-SG 3.43Å |
| 62 | F | 91.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 176 | -68.4 | -54.6 | 0 | 0 | 0 | 112.1 | V20 S31 C33 H51 L55 G57 H58 R59 K64 C65 H66 | V20-F62 HydrophobicContact CG2-CD1 4.01Å; V20-F62 HydrophobicContact CG2-CE1 3.86Å; S31-F62 WeakPolarHBondContact O-CE2 3.47Å; C33-F62 HydrophobicContact CB-CB 4.44Å; C33-F62 HydrophobicContact CB-CD1 3.8Å; C33-F62 HydrophobicContact CB-CD2 4.04Å; C33-F62 HydrophobicContact CB-CE1 3.97Å; C33-F62 HydrophobicContact CB-CE2 4.19Å; C33-F62 HydrophobicContact CB-CG 3.83Å; C33-F62 HydrophobicContact CB-CZ 4.16Å; H51-F62 AromaticContact CE1-CD1 3.61Å; L55-F62 HydrophobicContact CB-CE1 4.09Å; L55-F62 HydrophobicContact CB-CZ 4.03Å; L55-F62 WeakPolarHBondContact O-CZ 3.19Å; G57-F62 VanDerWaalsContact CA-CE2 3.48Å; H58-F62 VanDerWaalsContact O-CD2 3.29Å; H58-F62 WeakPolarHBondContact O-CD2 3.36Å; H58-F62 PolarHBondContact O-N 3.3Å; H58-F62 VanDerWaalsContact O-N 3.16Å; R59-F62 PolarHBondContact O-N 3.49Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 3.18Å; F62-C65 WeakPolarHBondContact O-CB 3.49Å; F62-C65 PolarHBondContact O-N 3.37Å; F62-C65 VanDerWaalsContact O-N 3.15Å; F62-H66 PolarHBondContact O-CD2 3.5Å; F62-H66 VanDerWaalsContact O-CD2 3.25Å; F62-H66 PolarHBondContact O-N 3.49Å |
| 63 | E | 89.6 | Confident | 83.8 | Confident | 96 Ų | 96 | 87.5 Ų | 87.5 | 45% | 0.449 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 177.6 | -172.8 | 170.1 | -174.6 | 0 | 0 | 111.2 | R59 C65 H66 L67 | R59-E63 PolarHBondContact O-N 3.38Å; E63-C65 PolarHBondContact O-N 2.87Å; E63-H66 PolarHBondContact O-N 2.86Å; E63-L67 HydrophobicContact CG-CD1 4.14Å; E63-L67 WeakPolarHBondContact O-CB 3.43Å; E63-L67 VanDerWaalsContact O-CG 3.23Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 2.84Å |
| 64 | K | 91.4 | Very high | 82.5 | Confident | 133 Ų | 133 | 83.7 Ų | 83.7 | 58% | 0.578 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 173.8 | -73.3 | 171.9 | -175.6 | 171 | 0 | 112.6 | D60 C61 F62 H66 L67 I68 | D60-K64 WeakPolarHBondContact O-CB 3.26Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.24Å; D60-K64 PolarHBondContact O-N 3.12Å; C61-K64 PolarHBondContact O-N 3.4Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 3.18Å; K64-H66 VanDerWaalsContact C-N 3.34Å; K64-H66 PolarHBondContact O-N 3.4Å; K64-L67 PolarHBondContact O-N 3.14Å; K64-I68 WeakPolarHBondContact O-CD1 3.49Å; K64-I68 VanDerWaalsContact O-CG1 3.23Å; K64-I68 WeakPolarHBondContact O-CG1 3.37Å; K64-I68 PolarHBondContact O-N 3.24Å |
| 65 | C | 88.8 | Confident | 81.5 | Confident | 37 Ų | 37 | 87 Ų | 87 | 25% | 0.25 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 176.2 | -73.9 | 0 | 0 | 0 | 0 | 111.9 | V20 C61 F62 E63 I68 A69 | V20-C65 WeakPolarHBondContact CG1-SG 3.23Å; C61-C65 PolarHBondContact O-N 3.03Å; C61-C65 PolarHBondContact O-SG 3.43Å; F62-C65 WeakPolarHBondContact O-CB 3.49Å; F62-C65 PolarHBondContact O-N 3.37Å; F62-C65 VanDerWaalsContact O-N 3.15Å; E63-C65 PolarHBondContact O-N 2.87Å; C65-I68 PolarHBondContact O-N 3.39Å; C65-A69 WeakPolarHBondContact O-CB 3.21Å; C65-A69 PolarHBondContact O-N 3.37Å |
| 66 | H | 89.9 | Confident | 79.8 | Confident | 14 Ų | 14 | 89 Ų | 89 | 7% | 0.065 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 176.5 | -82.1 | -88.8 | 0 | 0 | 0 | 112.2 | C33 C36 L50 H51 F62 E63 K64 I68 A69 N70 | C33-H66 PolarHBondContact SG-NE2 2.92Å; C36-H66 PolarHBondContact SG-CE1 3.43Å; C36-H66 PolarHBondContact SG-NE2 3.27Å; C36-H66 VanDerWaalsContact SG-NE2 3.39Å; L50-H66 WeakPolarHBondContact CD1-ND1 3.42Å; H51-H66 AromaticContact CE1-CD2 3.99Å; H51-H66 AromaticContact CE1-NE2 3.6Å; H51-H66 AromaticContact ND1-NE2 3.63Å; F62-H66 PolarHBondContact O-CD2 3.5Å; F62-H66 VanDerWaalsContact O-CD2 3.25Å; F62-H66 PolarHBondContact O-N 3.49Å; E63-H66 PolarHBondContact O-N 2.86Å; K64-H66 VanDerWaalsContact C-N 3.34Å; K64-H66 PolarHBondContact O-N 3.4Å; H66-I68 PolarHBondContact O-N 3.4Å; H66-A69 PolarHBondContact O-N 3.42Å; H66-N70 WeakPolarHBondContact O-CB 3.41Å; H66-N70 VanDerWaalsContact O-CG 3.26Å; H66-N70 PolarHBondContact O-N 3.45Å; H66-N70 PolarHBondContact O-ND2 3.02Å; H66-N70 VanDerWaalsContact O-ND2 3.14Å |
| 67 | L | 90.3 | Very high | 78.2 | Confident | 110 Ų | 110 | 94 Ų | 94 | 58% | 0.576 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 175.5 | -74.6 | 170.3 | 0 | 0 | 0 | 112.1 | E63 K64 Q71 | E63-L67 HydrophobicContact CG-CD1 4.14Å; E63-L67 WeakPolarHBondContact O-CB 3.43Å; E63-L67 VanDerWaalsContact O-CG 3.23Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 2.84Å; K64-L67 PolarHBondContact O-N 3.14Å; L67-Q71 PolarHBondContact O-N 3.12Å |
| 68 | I | 88.8 | Confident | 76.2 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 61% | 0.605 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -45.1 | 177.5 | -67 | 162.4 | 0 | 0 | 0 | 110.5 | K64 C65 H66 N70 Q71 | K64-I68 WeakPolarHBondContact O-CD1 3.49Å; K64-I68 VanDerWaalsContact O-CG1 3.23Å; K64-I68 WeakPolarHBondContact O-CG1 3.37Å; K64-I68 PolarHBondContact O-N 3.24Å; C65-I68 PolarHBondContact O-N 3.39Å; H66-I68 PolarHBondContact O-N 3.4Å; I68-N70 VanDerWaalsContact C-N 3.35Å; I68-N70 PolarHBondContact O-N 3.25Å; I68-Q71 WeakPolarHBondContact O-CB 3.29Å; I68-Q71 PolarHBondContact O-N 3.39Å |
| 69 | A | 85.3 | Confident | 74.3 | Confident | 52 Ų | 52 | 101.8 Ų | 101.8 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | L50 C65 H66 Q71 | L50-A69 HydrophobicContact CD1-CB 3.28Å; L50-A69 HydrophobicContact CD2-CB 3.71Å; L50-A69 HydrophobicContact CG-CB 4.15Å; C65-A69 WeakPolarHBondContact O-CB 3.21Å; C65-A69 PolarHBondContact O-N 3.37Å; H66-A69 PolarHBondContact O-N 3.42Å; A69-Q71 VanDerWaalsContact C-N 3.25Å; A69-Q71 PolarHBondContact O-N 2.89Å |
| 70 | N | 79.4 | Confident | 72.8 | Confident | 117 Ų | 117 | 103.9 Ų | 103.9 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.7 | 176.7 | -70.5 | -33.7 | 0 | 0 | 0 | 113.2 | H66 I68 K72 | H66-N70 WeakPolarHBondContact O-CB 3.41Å; H66-N70 VanDerWaalsContact O-CG 3.26Å; H66-N70 PolarHBondContact O-N 3.45Å; H66-N70 PolarHBondContact O-ND2 3.02Å; H66-N70 VanDerWaalsContact O-ND2 3.14Å; I68-N70 VanDerWaalsContact C-N 3.35Å; I68-N70 PolarHBondContact O-N 3.25Å; N70-K72 VanDerWaalsContact C-N 3.26Å; N70-K72 PolarHBondContact O-N 3.35Å |
| 71 | Q | 82.6 | Confident | 71.5 | Confident | 130 Ų | 130 | 101 Ų | 101 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | trans | -64.8 | 95.3 | 170.9 | -166 | 172.8 | 45.7 | 0 | 0 | 107.2 | L67 I68 A69 L73 | L67-Q71 PolarHBondContact O-N 3.12Å; I68-Q71 WeakPolarHBondContact O-CB 3.29Å; I68-Q71 PolarHBondContact O-N 3.39Å; A69-Q71 VanDerWaalsContact C-N 3.25Å; A69-Q71 PolarHBondContact O-N 2.89Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 2.64Å | ||
| 72 | K | 63.6 | Low | 70.4 | Confident | 189 Ų | 189 | 104.8 Ų | 104.8 | 82% | 0.822 | 56% | 0.559 | S | S | * | * | trans | -55 | 105.3 | 164.9 | -67.6 | -177.2 | -178.3 | 178.3 | 0 | 104.7 | N70 S74 | N70-K72 VanDerWaalsContact C-N 3.26Å; N70-K72 PolarHBondContact O-N 3.35Å; K72-S74 PolarHBondContact O-N 3.15Å | ||
| 73 | L | 54.3 | Low | 69.6 | Low | 128 Ų | 128 | 111.8 Ų | 111.8 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | trans | -57.4 | 92.1 | 165.7 | -68.7 | 173.8 | 0 | 0 | 0 | 104.3 | Q71 H75 | Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 2.64Å; L73-H75 PolarHBondContact O-CD2 3.18Å; L73-H75 VanDerWaalsContact O-CD2 3.22Å; L73-H75 PolarHBondContact O-N 3.02Å | ||
| 74 | S | 48.4 | Very low | 69.1 | Low | 87 Ų | 87 | 110.3 Ų | 110.3 | 61% | 0.608 | 58% | 0.579 | S | S | * | * | trans | -62.7 | 99.3 | 172.8 | 51.5 | 0 | 0 | 0 | 0 | 103.6 | K72 S76 | K72-S74 PolarHBondContact O-N 3.15Å; S74-S76 PolarHBondContact O-N 3.41Å | ||
| 75 | H | 49.8 | Very low | 68.3 | Low | 158 Ų | 158 | 106.5 Ų | 106.5 | 73% | 0.731 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -59 | 10.3 | 173.6 | -69.9 | -82.4 | 0 | 0 | 0 | 112.2 | L73 K77 | L73-H75 PolarHBondContact O-CD2 3.18Å; L73-H75 VanDerWaalsContact O-CD2 3.22Å; L73-H75 PolarHBondContact O-N 3.02Å; H75-K77 VanDerWaalsContact C-N 3.26Å; H75-K77 PolarHBondContact O-N 3.21Å |
| 76 | S | 47.9 | Very low | 68 | Low | 99 Ų | 99 | 110.6 Ų | 110.6 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -70.5 | -15.6 | 176.4 | 80.9 | 0 | 0 | 0 | 0 | 114 | S74 | S74-S76 PolarHBondContact O-N 3.41Š|
| 77 | K | 51.2 | Low | 67.7 | Low | 187 Ų | 187 | 116.4 Ų | 116.4 | 81% | 0.813 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -144.5 | 81.1 | 165.3 | -65.4 | -177.7 | -176.3 | 171.6 | 0 | 108.5 | H75 S79 | H75-K77 VanDerWaalsContact C-N 3.26Å; H75-K77 PolarHBondContact O-N 3.21Å; K77-S79 PolarHBondContact O-N 3.4Å |
| 78 | V | 47 | Very low | 67.5 | Low | 99 Ų | 99 | 115.7 Ų | 115.7 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | trans | -53 | 99.7 | 148.4 | 173.8 | 0 | 0 | 0 | 0 | 104.6 | R80 | V78-R80 PolarHBondContact O-N 2.96Š| ||
| 79 | S | 50.7 | Low | 67.4 | Low | 106 Ų | 106 | 112.5 Ų | 112.5 | 74% | 0.741 | 61% | 0.607 | S | S | * | * | trans | -50.2 | 98.1 | 155.1 | 173.9 | 0 | 0 | 0 | 0 | 103.8 | K77 S81 | K77-S79 PolarHBondContact O-N 3.4Å; S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact O-N 3.49Å | ||
| 80 | R | 57.3 | Low | 67.6 | Low | 199 Ų | 199 | 115 Ų | 115 | 75% | 0.751 | 61% | 0.613 | S | S | * | * | trans | -51.9 | 110.9 | 169.3 | -81.9 | -164.9 | 157.9 | 150.9 | -3.2 | 103.6 | V78 A82 E84 | V78-R80 PolarHBondContact O-N 2.96Å; R80-A82 PolarHBondContact O-N 2.98Å; R80-E84 WeakPolarHBondContact CA-OE2 3.45Å; R80-E84 VanDerWaalsContact CB-OE2 3.24Å; R80-E84 WeakPolarHBondContact CB-OE2 3.23Å; R80-E84 WeakPolarHBondContact CG-OE2 3.42Å | ||
| 81 | S | 62.9 | Low | 68.1 | Low | 41 Ų | 41 | 111.9 Ų | 111.9 | 29% | 0.287 | 60% | 0.601 | S | S | . | * | trans | -51.6 | 132.6 | 176.4 | 175.1 | 0 | 0 | 0 | 0 | 105.6 | S79 Y83 E84 | S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact O-N 3.49Å; S81-Y83 PolarHBondContact O-N 3.25Å; S81-Y83 PolarHBondContact OG-N 3.41Å; S81-E84 VanDerWaalsContact O-CB 3.29Å; S81-E84 WeakPolarHBondContact O-CB 3.4Å; S81-E84 PolarHBondContact O-N 3.18Å | ||
| 82 | A | 67.1 | Low | 68.6 | Low | 101 Ų | 101 | 111 Ų | 111 | 84% | 0.835 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -18.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | R80 | R80-A82 PolarHBondContact O-N 2.98Š|
| 83 | Y | 75.3 | Confident | 69.8 | Low | 147 Ų | 147 | 108.9 Ų | 108.9 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 11.7 | 177.5 | -57.6 | -79.4 | 0 | 0 | 0 | 114.8 | S81 G85 M86 K87 | S81-Y83 PolarHBondContact O-N 3.25Å; S81-Y83 PolarHBondContact OG-N 3.41Å; Y83-G85 VanDerWaalsContact C-N 3.27Å; Y83-G85 PolarHBondContact O-N 3.46Å; Y83-M86 HydrophobicContact CD1-CE 3.88Å; Y83-M86 HydrophobicContact CD1-SD 4.02Å; Y83-M86 HydrophobicContact CE1-CE 4.28Å; Y83-M86 CarbonylContact O-C 3.51Å; Y83-M86 WeakPolarHBondContact O-CA 3.35Å; Y83-M86 VanDerWaalsContact O-CB 3.32Å; Y83-M86 WeakPolarHBondContact O-CB 3.46Å; Y83-M86 PolarHBondContact O-N 3.05Å; Y83-K87 PolarHBondContact O-N 3.31Å |
| 84 | E | 78.9 | Confident | 71.6 | Confident | 64 Ų | 64 | 107 Ų | 107 | 30% | 0.299 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.9 | -40.5 | -178.7 | -174.1 | 173.6 | 153.8 | 0 | 0 | 111.9 | R80 S81 M86 K87 L88 | R80-E84 WeakPolarHBondContact CA-OE2 3.45Å; R80-E84 VanDerWaalsContact CB-OE2 3.24Å; R80-E84 WeakPolarHBondContact CB-OE2 3.23Å; R80-E84 WeakPolarHBondContact CG-OE2 3.42Å; S81-E84 VanDerWaalsContact O-CB 3.29Å; S81-E84 WeakPolarHBondContact O-CB 3.4Å; S81-E84 PolarHBondContact O-N 3.18Å; E84-M86 VanDerWaalsContact C-N 3.28Å; E84-M86 PolarHBondContact O-N 3.46Å; E84-K87 PolarHBondContact O-N 3.29Å; E84-L88 HydrophobicContact CG-CD1 4.43Å; E84-L88 WeakPolarHBondContact O-CB 3.32Å; E84-L88 WeakPolarHBondContact O-CG 3.22Å; E84-L88 PolarHBondContact O-N 2.91Å |
| 85 | G | 75.6 | Confident | 73.7 | Confident | 54 Ų | 54 | 106.6 Ų | 106.6 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.4 | -35 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y83 A89 | Y83-G85 VanDerWaalsContact C-N 3.27Å; Y83-G85 PolarHBondContact O-N 3.46Å; G85-A89 VanDerWaalsContact O-CB 3.29Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 2.97Å |
| 86 | M | 82.8 | Confident | 75.5 | Confident | 122 Ų | 122 | 107.2 Ų | 107.2 | 60% | 0.601 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.2 | -39 | 177 | -166.6 | -179.8 | -67.5 | 0 | 0 | 111.9 | Y83 E84 L88 A89 L90 | Y83-M86 HydrophobicContact CD1-CE 3.88Å; Y83-M86 HydrophobicContact CD1-SD 4.02Å; Y83-M86 HydrophobicContact CE1-CE 4.28Å; Y83-M86 CarbonylContact O-C 3.51Å; Y83-M86 WeakPolarHBondContact O-CA 3.35Å; Y83-M86 VanDerWaalsContact O-CB 3.32Å; Y83-M86 WeakPolarHBondContact O-CB 3.46Å; Y83-M86 PolarHBondContact O-N 3.05Å; E84-M86 VanDerWaalsContact C-N 3.28Å; E84-M86 PolarHBondContact O-N 3.46Å; M86-L88 VanDerWaalsContact C-N 3.34Å; M86-A89 PolarHBondContact O-N 3.24Å; M86-L90 VanDerWaalsContact O-CB 3.24Å; M86-L90 WeakPolarHBondContact O-CB 3.45Å; M86-L90 PolarHBondContact O-N 3.15Å |
| 87 | K | 83.4 | Confident | 77.3 | Confident | 136 Ų | 136 | 107.6 Ų | 107.6 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.4 | -43.5 | 173.1 | -71.3 | -176.2 | 178.6 | -175.5 | 0 | 110.9 | Y83 E84 S91 | Y83-K87 PolarHBondContact O-N 3.31Å; E84-K87 PolarHBondContact O-N 3.29Å; K87-S91 WeakPolarHBondContact O-CB 3.44Å; K87-S91 PolarHBondContact O-N 3.47Å |
| 88 | L | 85.9 | Confident | 79.2 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 175.9 | -71.8 | 171.8 | 0 | 0 | 0 | 111.9 | E84 M86 L90 S91 Q92 | E84-L88 HydrophobicContact CG-CD1 4.43Å; E84-L88 WeakPolarHBondContact O-CB 3.32Å; E84-L88 WeakPolarHBondContact O-CG 3.22Å; E84-L88 PolarHBondContact O-N 2.91Å; M86-L88 VanDerWaalsContact C-N 3.34Å; L88-L90 PolarHBondContact O-N 3.41Å; L88-S91 PolarHBondContact O-N 2.99Å; L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 WeakPolarHBondContact O-CG 3.29Å; L88-Q92 PolarHBondContact O-N 3.39Å |
| 89 | A | 86.3 | Confident | 81 | Confident | 51 Ų | 51 | 102.9 Ų | 102.9 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | G85 M86 K93 | G85-A89 VanDerWaalsContact O-CB 3.29Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 2.97Å; M86-A89 PolarHBondContact O-N 3.24Å; A89-K93 PolarHBondContact O-N 3.07Å |
| 90 | L | 89.3 | Confident | 82.5 | Confident | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 175.4 | -178.9 | 63 | 0 | 0 | 0 | 111.1 | M86 L88 Q92 K93 L94 | M86-L90 VanDerWaalsContact O-CB 3.24Å; M86-L90 WeakPolarHBondContact O-CB 3.45Å; M86-L90 PolarHBondContact O-N 3.15Å; L88-L90 PolarHBondContact O-N 3.41Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-Q92 PolarHBondContact O-N 2.95Å; L90-K93 PolarHBondContact O-N 2.92Å; L90-K93 VanDerWaalsContact O-N 3.16Å; L90-L94 HydrophobicContact CD1-CD1 4.49Å; L90-L94 HydrophobicContact CD1-CG 4.46Å; L90-L94 HydrophobicContact CG-CD1 4.14Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 2.98Å |
| 91 | S | 90.5 | Very high | 83.6 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 37% | 0.371 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.6 | -46.3 | 174.5 | 164.4 | 0 | 0 | 0 | 0 | 111.7 | K87 L88 K93 L94 N95 | K87-S91 WeakPolarHBondContact O-CB 3.44Å; K87-S91 PolarHBondContact O-N 3.47Å; L88-S91 PolarHBondContact O-N 2.99Å; S91-K93 PolarHBondContact O-N 3.05Å; S91-L94 PolarHBondContact O-N 2.98Å; S91-N95 WeakPolarHBondContact O-CB 3.28Å; S91-N95 PolarHBondContact O-N 3.38Å; S91-N95 PolarHBondContact O-ND2 3.36Å |
| 92 | Q | 91.9 | Very high | 84.3 | Confident | 112 Ų | 112 | 102.4 Ų | 102.4 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 177 | -75.9 | 178 | 3.6 | 0 | 0 | 112.3 | L88 L90 R96 | L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 WeakPolarHBondContact O-CG 3.29Å; L88-Q92 PolarHBondContact O-N 3.39Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-Q92 PolarHBondContact O-N 2.95Å; Q92-R96 WeakPolarHBondContact O-CG 3.41Å; Q92-R96 PolarHBondContact O-N 3.08Å |
| 93 | K | 90.4 | Very high | 84.1 | Confident | 143 Ų | 143 | 102.2 Ų | 102.2 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 174.3 | -80.4 | -171.9 | 175 | -174.7 | 0 | 111.9 | A89 L90 S91 R96 I97 | A89-K93 PolarHBondContact O-N 3.07Å; L90-K93 PolarHBondContact O-N 2.92Å; L90-K93 VanDerWaalsContact O-N 3.16Å; S91-K93 PolarHBondContact O-N 3.05Å; K93-R96 PolarHBondContact O-N 3.48Å; K93-I97 VanDerWaalsContact O-CG1 3.3Å; K93-I97 WeakPolarHBondContact O-CG1 3.27Å; K93-I97 PolarHBondContact O-N 3.08Å |
| 94 | L | 91.9 | Very high | 83.1 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 176 | -72.7 | 172 | 0 | 0 | 0 | 111 | L90 S91 R96 I97 I98 | L90-L94 HydrophobicContact CD1-CD1 4.49Å; L90-L94 HydrophobicContact CD1-CG 4.46Å; L90-L94 HydrophobicContact CG-CD1 4.14Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 2.98Å; S91-L94 PolarHBondContact O-N 2.98Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 3.24Å; L94-I97 WeakPolarHBondContact O-CB 3.46Å; L94-I97 PolarHBondContact O-N 3.36Å; L94-I97 VanDerWaalsContact O-N 3.1Å; L94-I98 VanDerWaalsContact O-CG1 3.23Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 3.38Å |
| 95 | N | 91 | Very high | 81.8 | Confident | 80 Ų | 80 | 106.1 Ų | 106.1 | 43% | 0.428 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 175.6 | -79.1 | -36.9 | 0 | 0 | 0 | 112.6 | S91 I98 Q99 | S91-N95 WeakPolarHBondContact O-CB 3.28Å; S91-N95 PolarHBondContact O-N 3.38Å; S91-N95 PolarHBondContact O-ND2 3.36Å; N95-I98 PolarHBondContact O-N 3.16Å; N95-Q99 WeakPolarHBondContact O-CB 2.94Å; N95-Q99 VanDerWaalsContact O-CG 3.26Å; N95-Q99 WeakPolarHBondContact O-CG 3.43Å; N95-Q99 PolarHBondContact O-N 3.45Å |
| 96 | R | 87.4 | Confident | 80.4 | Confident | 170 Ų | 170 | 107.5 Ų | 107.5 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 172.7 | -75 | 177.9 | -173.7 | 168.5 | 4.1 | 112.5 | Q92 K93 L94 F100 | Q92-R96 WeakPolarHBondContact O-CG 3.41Å; Q92-R96 PolarHBondContact O-N 3.08Å; K93-R96 PolarHBondContact O-N 3.48Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 3.24Å; R96-F100 VanDerWaalsContact O-CB 3.24Å; R96-F100 WeakPolarHBondContact O-CB 3.38Å; R96-F100 PolarHBondContact O-N 3.16Å |
| 97 | I | 87.6 | Confident | 78.6 | Confident | 108 Ų | 108 | 109.6 Ų | 109.6 | 55% | 0.554 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.4 | -44.9 | 175.7 | -67.5 | 163 | 0 | 0 | 0 | 110.2 | K93 L94 F100 A101 | K93-I97 VanDerWaalsContact O-CG1 3.3Å; K93-I97 WeakPolarHBondContact O-CG1 3.27Å; K93-I97 PolarHBondContact O-N 3.08Å; L94-I97 WeakPolarHBondContact O-CB 3.46Å; L94-I97 PolarHBondContact O-N 3.36Å; L94-I97 VanDerWaalsContact O-N 3.1Å; I97-F100 PolarHBondContact O-N 3.14Å; I97-A101 WeakPolarHBondContact O-CB 3.03Å; I97-A101 PolarHBondContact O-N 3.2Å |
| 98 | I | 89.6 | Confident | 76.9 | Confident | 77 Ų | 77 | 108.3 Ų | 108.3 | 40% | 0.395 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.7 | -48.3 | 176.8 | -67.3 | 164.1 | 0 | 0 | 0 | 109.9 | L94 N95 F100 A101 Q102 | L94-I98 VanDerWaalsContact O-CG1 3.23Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 3.38Å; N95-I98 PolarHBondContact O-N 3.16Å; I98-F100 VanDerWaalsContact C-N 3.32Å; I98-F100 PolarHBondContact O-N 3.48Å; I98-A101 PolarHBondContact O-N 3.07Å; I98-Q102 HydrophobicContact CG2-CG 4.32Å; I98-Q102 WeakPolarHBondContact O-CB 3.19Å; I98-Q102 VanDerWaalsContact O-CG 3.24Å; I98-Q102 WeakPolarHBondContact O-CG 3.49Å; I98-Q102 PolarHBondContact O-N 2.7Å |
| 99 | Q | 84.6 | Confident | 74.9 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.5 | -39.2 | 175.3 | -75.1 | 175.3 | 3.1 | 0 | 0 | 112.1 | N95 N103 | N95-Q99 WeakPolarHBondContact O-CB 2.94Å; N95-Q99 VanDerWaalsContact O-CG 3.26Å; N95-Q99 WeakPolarHBondContact O-CG 3.43Å; N95-Q99 PolarHBondContact O-N 3.45Å; Q99-N103 WeakPolarHBondContact O-CB 3.35Å; Q99-N103 VanDerWaalsContact O-CG 3.26Å; Q99-N103 PolarHBondContact O-N 3.35Å; Q99-N103 PolarHBondContact O-ND2 2.86Å |
| 100 | F | 82.8 | Confident | 72.4 | Confident | 149 Ų | 149 | 112.7 Ų | 112.7 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.3 | -38.4 | 177.8 | -173.1 | -96.8 | 0 | 0 | 0 | 112.1 | R96 I97 I98 K104 | R96-F100 VanDerWaalsContact O-CB 3.24Å; R96-F100 WeakPolarHBondContact O-CB 3.38Å; R96-F100 PolarHBondContact O-N 3.16Å; I97-F100 PolarHBondContact O-N 3.14Å; I98-F100 VanDerWaalsContact C-N 3.32Å; I98-F100 PolarHBondContact O-N 3.48Å; F100-K104 WeakPolarHBondContact O-CB 3.44Å; F100-K104 PolarHBondContact O-N 2.98Å |
| 101 | A | 79.9 | Confident | 69.9 | Low | 57 Ų | 57 | 111.1 Ų | 111.1 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.1 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I97 I98 | I97-A101 WeakPolarHBondContact O-CB 3.03Å; I97-A101 PolarHBondContact O-N 3.2Å; I98-A101 PolarHBondContact O-N 3.07Å |
| 102 | Q | 77.7 | Confident | 67 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 60% | 0.603 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.9 | -38.3 | 180 | -71.4 | 173.6 | -17.3 | 0 | 0 | 112.9 | I98 K104 | I98-Q102 HydrophobicContact CG2-CG 4.32Å; I98-Q102 WeakPolarHBondContact O-CB 3.19Å; I98-Q102 VanDerWaalsContact O-CG 3.24Å; I98-Q102 WeakPolarHBondContact O-CG 3.49Å; I98-Q102 PolarHBondContact O-N 2.7Å; Q102-K104 VanDerWaalsContact C-N 3.28Å; Q102-K104 PolarHBondContact O-N 3.19Å |
| 103 | N | 63.5 | Low | 64.1 | Low | 97 Ų | 97 | 114 Ų | 114 | 52% | 0.519 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -80.2 | -6.6 | 178.8 | -69.5 | -54 | 0 | 0 | 0 | 113.4 | Q99 D105 S106 | Q99-N103 WeakPolarHBondContact O-CB 3.35Å; Q99-N103 VanDerWaalsContact O-CG 3.26Å; Q99-N103 PolarHBondContact O-N 3.35Å; Q99-N103 PolarHBondContact O-ND2 2.86Å; N103-D105 PolarHBondContact O-N 2.79Å; N103-S106 PolarHBondContact O-N 3.24Å |
| 104 | K | 54.8 | Low | 62 | Low | 153 Ų | 153 | 118.6 Ų | 118.6 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -21.8 | 178.2 | -134.3 | -162.9 | 173.9 | -162.7 | 0 | 113 | F100 Q102 | F100-K104 WeakPolarHBondContact O-CB 3.44Å; F100-K104 PolarHBondContact O-N 2.98Å; Q102-K104 VanDerWaalsContact C-N 3.28Å; Q102-K104 PolarHBondContact O-N 3.19Å |
| 105 | D | 49.8 | Very low | 59.3 | Low | 141 Ų | 141 | 126.2 Ų | 126.2 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -2.1 | -179.2 | -60.1 | -31 | 0 | 0 | 0 | 112.8 | N103 | N103-D105 PolarHBondContact O-N 2.79Š|
| 106 | S | 47.6 | Very low | 56.4 | Low | 83 Ų | 83 | 125.8 Ų | 125.8 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -96.7 | 2.1 | -178 | -50.2 | 0 | 0 | 0 | 0 | 115 | N103 | N103-S106 PolarHBondContact O-N 3.24Š|
| 107 | L | 45.4 | Very low | 54.4 | Low | 166 Ų | 166 | 123 Ų | 123 | 87% | 0.869 | 71% | 0.71 | S | S | * | * | trans | -110 | 37.5 | 176.6 | -65.6 | 177.7 | 0 | 0 | 0 | 113 | ||||
| 108 | S | 47.7 | Very low | 52.3 | Low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | -96.3 | 122.6 | 157.6 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 109 | S | 43.3 | Very low | 49.9 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 91 | 79.8 | 176.8 | -155.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 110 | S | 34.6 | Very low | 47.6 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -179.1 | 120.4 | 130.9 | 168.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 111 | G | 36.3 | Very low | 45.2 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -72.3 | 168.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 112 | C | 28.3 | Very low | 42.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | trans | 70.5 | 101 | 156.9 | -151.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 113 | A | 31.4 | Very low | 40.6 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | 155.6 | 137.4 | 107.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 114 | R | 45.7 | Very low | 39.5 | Very low | 240 Ų | 240 | 140.7 Ų | 140.7 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -39.8 | 132.6 | 176.5 | -59.5 | 168.8 | -149.8 | 176.6 | 6 | 114.1 | ||||
| 115 | R | 36.1 | Very low | 38.4 | Very low | 247 Ų | 247 | 142.3 Ų | 142.3 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | -172.8 | 116.1 | 122.9 | -107.7 | 175.5 | -75.8 | -139.5 | 3.8 | 113.3 | |||||
| 116 | G | 30.8 | Very low | 37.6 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 28.1 | 114.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | K118 | G116-K118 PolarHBondContact O-N 3.04Š| ||
| 117 | A | 44.7 | Very low | 36.7 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 93% | 0.934 | 82% | 0.819 | S | S | * | * | trans | -48.6 | 118.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 118 | K | 42.8 | Very low | 36.6 | Very low | 176 Ų | 176 | 147 Ų | 147 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | trans | -139.1 | 76.2 | 165.2 | -153.2 | 173.1 | -171.8 | 177.2 | 0 | 108.9 | G116 L120 | G116-K118 PolarHBondContact O-N 3.04Å; K118-L120 HydrophobicContact CD-CD1 4.45Å; K118-L120 HydrophobicContact CG-CD1 4.26Å; K118-L120 HydrophobicContact CG-CG 4.31Å | ||
| 119 | L | 40 | Very low | 36.2 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 97% | 0.969 | 82% | 0.821 | S | S | * | * | trans | -91.1 | 94.5 | 163.3 | -85.4 | 158.6 | 0 | 0 | 0 | 107.3 | ||||
| 120 | L | 36.5 | Very low | 36.3 | Very low | 142 Ų | 142 | 152.2 Ų | 152.2 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | trans | -90 | 119.5 | 166.4 | -76.5 | 165.6 | 0 | 0 | 0 | 108.2 | K118 | K118-L120 HydrophobicContact CD-CD1 4.45Å; K118-L120 HydrophobicContact CG-CD1 4.26Å; K118-L120 HydrophobicContact CG-CG 4.31Å | ||
| 121 | C | 32.1 | Very low | 36.4 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -82.3 | 148.4 | 156.1 | -83.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 122 | Y | 32 | Very low | 36.4 | Very low | 202 Ų | 202 | 156.1 Ų | 156.1 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | trans | 86.3 | 97.4 | 154.2 | -127.2 | -100.5 | 0 | 0 | 0 | 118.3 | Q124 | Y122-Q124 HydrophobicContact CD1-CB 4.41Å; Y122-Q124 HydrophobicContact CE1-CB 4.02Å | ||
| 123 | S | 28.1 | Very low | 37.2 | Very low | 112 Ų | 112 | 159.5 Ų | 159.5 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -121.7 | 119 | 145.9 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 124 | Q | 41.6 | Very low | 37.5 | Very low | 159 Ų | 159 | 160 Ų | 160 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | trans | -87.8 | 114 | 169.5 | 177.1 | -174.4 | 71.9 | 0 | 0 | 106.8 | Y122 | Y122-Q124 HydrophobicContact CD1-CB 4.41Å; Y122-Q124 HydrophobicContact CE1-CB 4.02Å | ||
| 125 | Q | 32.3 | Very low | 37.4 | Very low | 188 Ų | 188 | 156.9 Ų | 156.9 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -154.6 | 123.6 | 160.5 | -128.6 | 175.1 | 12.5 | 0 | 0 | 110.1 | ||||
| 126 | G | 32.5 | Very low | 37.8 | Very low | 77 Ų | 77 | 148.6 Ų | 148.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -82.1 | 161 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 127 | E | 28.5 | Very low | 38.9 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | -121.4 | 104.9 | 153.7 | -90.7 | -104 | 145 | 0 | 0 | 106.8 | K129 | E127-K129 PolarHBondContact O-N 2.74Å; E127-K129 IonicContact OE1-NZ 3.64Å; E127-K129 WeakPolarHBondContact OE2-CD 3.23Å; E127-K129 WeakPolarHBondContact OE2-CE 3.46Å; E127-K129 IonicContact OE2-NZ 2.76Å; E127-K129 PolarHBondContact OE2-NZ 2.82Å | ||
| 128 | R | 43.4 | Very low | 38.9 | Very low | 256 Ų | 256 | 154.3 Ų | 154.3 | 97% | 0.966 | 81% | 0.807 | S | S | * | * | trans | -76.2 | 93.3 | 169.4 | -164.4 | -177.9 | -169.1 | -152.1 | 3.9 | 106.8 | ||||
| 129 | K | 38.2 | Very low | 38.8 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -133.4 | 109.1 | 166.7 | -78.8 | -179.1 | -176.7 | 138 | 0 | 110.8 | E127 | E127-K129 PolarHBondContact O-N 2.74Å; E127-K129 IonicContact OE1-NZ 3.64Å; E127-K129 WeakPolarHBondContact OE2-CD 3.23Å; E127-K129 WeakPolarHBondContact OE2-CE 3.46Å; E127-K129 IonicContact OE2-NZ 2.76Å; E127-K129 PolarHBondContact OE2-NZ 2.82Å | ||
| 130 | L | 45.8 | Very low | 39.4 | Very low | 179 Ų | 179 | 153.1 Ų | 153.1 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | -5 | 116 | 161.8 | -57.1 | 167.6 | 0 | 0 | 0 | 116 | ||||
| 131 | L | 36.5 | Very low | 39.7 | Very low | 162 Ų | 162 | 157.1 Ų | 157.1 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -80.6 | 147.1 | 165 | -83.2 | 159.5 | 0 | 0 | 0 | 110.1 | Q133 | L131-Q133 PolarHBondContact O-N 3.27Š| ||
| 132 | P | 36.3 | Very low | 40.3 | Very low | 109 Ų | 109 | 155 Ų | 155 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 126.6 | 171.7 | -8.5 | 23.8 | 0 | 0 | 0 | 109.5 | S134 | P132-S134 PolarHBondContact O-N 2.96Å; P132-S134 VanDerWaalsContact O-N 3.16Å | ||
| 133 | Q | 46 | Very low | 40.5 | Very low | 203 Ų | 203 | 150.9 Ų | 150.9 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | trans | -62.8 | 112.2 | 163.9 | -81 | -179 | -70.6 | 0 | 0 | 108.1 | L131 | L131-Q133 PolarHBondContact O-N 3.27Š| ||
| 134 | S | 37.9 | Very low | 41.2 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -101 | 120 | 166.7 | -69.4 | 0 | 0 | 0 | 0 | 109.4 | P132 A136 | P132-S134 PolarHBondContact O-N 2.96Å; P132-S134 VanDerWaalsContact O-N 3.16Å; S134-A136 PolarHBondContact O-N 3.4Å | ||
| 135 | D | 44.3 | Very low | 41 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -71.5 | 62.2 | 177.3 | -98.9 | -27.6 | 0 | 0 | 0 | 112.5 | ||||
| 136 | A | 44.5 | Very low | 41.2 | Very low | 72 Ų | 72 | 151.7 Ų | 151.7 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | trans | -100.8 | 100.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S134 V138 | S134-A136 PolarHBondContact O-N 3.4Å; A136-V138 PolarHBondContact O-N 2.9Å | ||
| 137 | Q | 52.5 | Low | 41.8 | Very low | 198 Ų | 198 | 159.8 Ų | 159.8 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -70.4 | 71.6 | 168.7 | -70.6 | -169.5 | -7.7 | 0 | 0 | 110.9 | ||||
| 138 | V | 45.1 | Very low | 42.6 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 65% | 0.648 | 79% | 0.792 | S | S | * | * | trans | -121.9 | 118.7 | 170 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | A136 R140 | A136-V138 PolarHBondContact O-N 2.9Å; V138-R140 PolarHBondContact O-N 3.37Å | ||
| 139 | P | 41.6 | Very low | 42.4 | Very low | 104 Ų | 104 | 155.5 Ų | 155.5 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -59.3 | 109.8 | 177.9 | -23.9 | 34 | 0 | 0 | 0 | 110.9 | Y141 | P139-Y141 HydrophobicContact CB-CE2 4.17Å; P139-Y141 PolarHBondContact O-N 3.02Å | ||
| 140 | R | 52.6 | Low | 42.6 | Very low | 232 Ų | 232 | 152.8 Ų | 152.8 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -87.2 | 101.1 | 174.9 | -68.2 | -167.9 | -177.4 | -174.7 | 2.6 | 109.3 | V138 A142 | V138-R140 PolarHBondContact O-N 3.37Å; R140-A142 PolarHBondContact O-N 2.93Å; R140-A142 VanDerWaalsContact O-N 3.15Å | ||
| 141 | Y | 42.2 | Very low | 42.5 | Very low | 226 Ų | 226 | 151.1 Ų | 151.1 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | trans | -79.4 | 89 | 163.6 | -70.5 | -86.2 | 0 | 0 | 0 | 108.9 | P139 | P139-Y141 HydrophobicContact CB-CE2 4.17Å; P139-Y141 PolarHBondContact O-N 3.02Å | ||
| 142 | A | 44.9 | Very low | 43.2 | Very low | 76 Ų | 76 | 147 Ų | 147 | 63% | 0.628 | 79% | 0.792 | S | S | * | * | trans | -112.9 | 131.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | R140 C144 | R140-A142 PolarHBondContact O-N 2.93Å; R140-A142 VanDerWaalsContact O-N 3.15Å; A142-C144 PolarHBondContact O-N 3.32Å | ||
| 143 | P | 35.3 | Very low | 43.3 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -63.7 | 106.5 | 174.7 | -17.5 | 30.1 | 0 | 0 | 0 | 109.6 | W145 | P143-W145 PolarHBondContact O-N 3.41Š| ||
| 144 | C | 44.1 | Very low | 43.3 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | -86 | 99.2 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | A142 D146 | A142-C144 PolarHBondContact O-N 3.32Å; C144-D146 PolarHBondContact O-N 3.28Å; C144-D146 VanDerWaalsContact O-N 3.08Å; C144-D146 VanDerWaalsContact SG-CB 3.53Å | ||
| 145 | W | 37.4 | Very low | 43.9 | Very low | 246 Ų | 246 | 143.9 Ų | 143.9 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -82.1 | 64.8 | 169.5 | -64.7 | 94.2 | 0 | 0 | 0 | 109.8 | P143 | P143-W145 PolarHBondContact O-N 3.41Š| ||
| 146 | D | 35.6 | Very low | 44.4 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | -109.8 | 93.7 | 175.9 | -147.3 | -1.5 | 0 | 0 | 0 | 110 | C144 A148 | C144-D146 PolarHBondContact O-N 3.28Å; C144-D146 VanDerWaalsContact O-N 3.08Å; C144-D146 VanDerWaalsContact SG-CB 3.53Å; D146-A148 PolarHBondContact O-N 3.33Å | ||
| 147 | R | 44.8 | Very low | 44.5 | Very low | 246 Ų | 246 | 145.1 Ų | 145.1 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | trans | -81.6 | 67.4 | 174.1 | -172.9 | -168.3 | -94.3 | -137.4 | -1.8 | 109 | ||||
| 148 | A | 46.4 | Very low | 44.3 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 174 | 72.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111 | D146 | D146-A148 PolarHBondContact O-N 3.33Š|
| 149 | R | 38.7 | Very low | 44.3 | Very low | 243 Ų | 243 | 136.9 Ų | 136.9 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -165.7 | 80.2 | 145.6 | -74.8 | -142.3 | -179.5 | -135.5 | -4 | 110.1 | ||||
| 150 | A | 42.2 | Very low | 44.4 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -99.5 | 88.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 151 | T | 43.2 | Very low | 44.1 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -147.1 | 105.9 | 162.3 | -46.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 152 | G | 52.2 | Low | 44.4 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | 105.9 | 86.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 153 | L | 38.5 | Very low | 44.4 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -127.7 | 143.1 | 157 | -100.5 | 145.1 | 0 | 0 | 0 | 109.5 | ||||
| 154 | P | 45.8 | Very low | 44.8 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | trans | -80.3 | 155.1 | -163.7 | -6.7 | 24.4 | 0 | 0 | 0 | 114 | Y156 | P154-Y156 HydrophobicContact CB-CD1 4.43Å; P154-Y156 PolarHBondContact O-N 3.22Å | ||
| 155 | A | 51 | Low | 44.9 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -61.3 | -7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 156 | Y | 53.2 | Low | 45.2 | Very low | 209 Ų | 209 | 126.9 Ų | 126.9 | 82% | 0.82 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -85.5 | -13.3 | -176.2 | 86.1 | -88.2 | 0 | 0 | 0 | 114.2 | P154 A158 | P154-Y156 HydrophobicContact CB-CD1 4.43Å; P154-Y156 PolarHBondContact O-N 3.22Å; Y156-A158 VanDerWaalsContact C-N 3.32Å |
| 157 | A | 47.2 | Very low | 45.6 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 54% | 0.537 | 74% | 0.742 | S | S | . | * | G | 310 helix | trans | -84.9 | -3.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G159 | A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 2.85Å |
| 158 | A | 47.2 | Very low | 45.5 | Very low | 63 Ų | 63 | 124 Ų | 124 | 52% | 0.521 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -17.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y156 | Y156-A158 VanDerWaalsContact C-N 3.32Š|
| 159 | G | 46.4 | Very low | 45.6 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -6.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | A157 | A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 2.85Å |
| 160 | M | 42.8 | Very low | 45.8 | Very low | 186 Ų | 186 | 119.4 Ų | 119.4 | 92% | 0.916 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -111.9 | 5.3 | -173.4 | -78.2 | -171.1 | 67.5 | 0 | 0 | 114.7 | ||
| 161 | L | 47.1 | Very low | 45.9 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -128.2 | 30.5 | -177.3 | -158 | 79.5 | 0 | 0 | 0 | 113 | T165 | L161-T165 HydrophobicContact CD1-CG2 4.01Å; L161-T165 HydrophobicContact CG-CG2 4.02Å; L161-T165 PolarHBondContact O-OG1 3.18Å |
| 162 | E | 48.4 | Very low | 45.9 | Very low | 164 Ų | 164 | 119.9 Ų | 119.9 | 77% | 0.766 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -115.4 | 20.4 | -177.7 | -74.9 | -173.7 | 153.9 | 0 | 0 | 114.1 | ||
| 163 | S | 44.4 | Very low | 45.3 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -133.8 | 6 | 176.2 | -52.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 164 | Q | 43.5 | Very low | 45.2 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -143.7 | 7.8 | 179.5 | -73 | -173.2 | 2.1 | 0 | 0 | 116.9 | ||
| 165 | T | 46.7 | Very low | 44.9 | Very low | 64 Ų | 64 | 126.6 Ų | 126.6 | 39% | 0.393 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -113.1 | 2.5 | -168.4 | 45.8 | 0 | 0 | 0 | 0 | 116.2 | L161 V169 | L161-T165 HydrophobicContact CD1-CG2 4.01Å; L161-T165 HydrophobicContact CG-CG2 4.02Å; L161-T165 PolarHBondContact O-OG1 3.18Å; T165-V169 WeakPolarHBondContact O-CG2 3.3Å |
| 166 | A | 44.3 | Very low | 44.3 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -87.4 | -39.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 167 | E | 44.4 | Very low | 43.5 | Very low | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -90.1 | -23.4 | -174.9 | -68.4 | 172.3 | 155.5 | 0 | 0 | 113.4 | ||
| 168 | E | 42.8 | Very low | 42.9 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -84.5 | -21.5 | -179.8 | -161.8 | 175 | 173.2 | 0 | 0 | 113.1 | ||
| 169 | V | 48.7 | Very low | 42.6 | Very low | 85 Ų | 85 | 129 Ų | 129 | 52% | 0.515 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -89.5 | -22.2 | -175.1 | 180 | 0 | 0 | 0 | 0 | 112.8 | T165 R173 | T165-V169 WeakPolarHBondContact O-CG2 3.3Å; V169-R173 PolarHBondContact O-N 3.45Å |
| 170 | E | 42.3 | Very low | 41.9 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -77 | -32 | 176.4 | -162.4 | 151.9 | -156.5 | 0 | 0 | 112 | L172 R173 | E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.09Å; E170-R173 PolarHBondContact O-N 3.5Å |
| 171 | L | 43.8 | Very low | 41.1 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -66.1 | -28.3 | 173.4 | -73 | 163.5 | 0 | 0 | 0 | 113.7 | S175 | L171-S175 PolarHBondContact O-OG 3Å |
| 172 | L | 43.5 | Very low | 40.3 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 65% | 0.654 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -83.2 | -22.9 | 178.2 | -87.1 | 160.2 | 0 | 0 | 0 | 113.2 | E170 | E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.09Å |
| 173 | R | 40.1 | Very low | 39.5 | Very low | 212 Ų | 212 | 139.7 Ų | 139.7 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -87.6 | -29.3 | -172.4 | -150.4 | -179.9 | 177.5 | -169.8 | -2 | 113.6 | V169 E170 | V169-R173 PolarHBondContact O-N 3.45Å; E170-R173 PolarHBondContact O-N 3.5Å |
| 174 | E | 35.9 | Very low | 38.7 | Very low | 153 Ų | 153 | 137 Ų | 137 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -77.8 | -21.4 | 173.7 | -74.4 | -179 | 142.7 | 0 | 0 | 113 | Q176 | E174-Q176 VanDerWaalsContact C-N 3.33Å; E174-Q176 PolarHBondContact O-N 3.19Å |
| 175 | S | 39.8 | Very low | 38.3 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -75.9 | -12.4 | -179.3 | -66.8 | 0 | 0 | 0 | 0 | 114.9 | L171 | L171-S175 PolarHBondContact O-OG 3Š|
| 176 | Q | 37 | Very low | 37.6 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -111.5 | -5.2 | -173.2 | -152.3 | 174.5 | 53.2 | 0 | 0 | 114.6 | E174 | E174-Q176 VanDerWaalsContact C-N 3.33Å; E174-Q176 PolarHBondContact O-N 3.19Å |
| 177 | A | 37.1 | Very low | 37 | Very low | 77 Ų | 77 | 150.4 Ų | 150.4 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -90 | -17.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 178 | D | 35.6 | Very low | 36.6 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -105.6 | 14.4 | -167.1 | -75.8 | -25.5 | 0 | 0 | 0 | 116.8 | ||
| 179 | A | 40.6 | Very low | 36.1 | Very low | 79 Ų | 79 | 150.6 Ų | 150.6 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -81.7 | -21.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 180 | W | 31 | Very low | 35.1 | Very low | 242 Ų | 242 | 151.2 Ų | 151.2 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -150.6 | 84.5 | 177.8 | -64.9 | 75.3 | 0 | 0 | 0 | 112.7 | ||
| 181 | S | 26.5 | Very low | 34.2 | Very low | 127 Ų | 127 | 155.2 Ų | 155.2 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -152 | 125 | 146.1 | -90.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 182 | R | 30.2 | Very low | 33.6 | Very low | 242 Ų | 242 | 157.7 Ų | 157.7 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -101.1 | 109.5 | 174.5 | 172.8 | -176.5 | 152.4 | -143.1 | -7.2 | 106.5 | ||||
| 183 | D | 30.4 | Very low | 33.1 | Very low | 155 Ų | 155 | 161 Ų | 161 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | 171.6 | 148.4 | 118.1 | -147.7 | -11.2 | 0 | 0 | 0 | 111.8 | |||||
| 184 | G | 28.1 | Very low | 32.6 | Very low | 60 Ų | 60 | 156.9 Ų | 156.9 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | trans | 99 | 82.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 185 | R | 35 | Very low | 32.6 | Very low | 241 Ų | 241 | 155.2 Ų | 155.2 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | 26.2 | 123.9 | 143.5 | -61 | -153.1 | -91 | -131.3 | 1 | 120.6 | ||||
| 186 | K | 32.5 | Very low | 32.4 | Very low | 204 Ų | 204 | 153.6 Ų | 153.6 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | 178.5 | 150.5 | 101.2 | -96.9 | 176.4 | -178.2 | -178.8 | 0 | 113 | |||||
| 187 | D | 32.6 | Very low | 32.5 | Very low | 143 Ų | 143 | 154 Ų | 154 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -62.7 | 161.8 | -173.3 | -69.6 | -65.1 | 0 | 0 | 0 | 119.4 | ||||
| 188 | L | 34.9 | Very low | 32.9 | Very low | 141 Ų | 141 | 160.3 Ų | 160.3 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | trans | 89 | 107.5 | 142.7 | -75.1 | 148.8 | 0 | 0 | 0 | 121.6 | ||||
| 189 | H | 31.4 | Very low | 33.4 | Very low | 171 Ų | 171 | 161.6 Ų | 161.6 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | 156.3 | 100.3 | 116.8 | -81.1 | -63.7 | 0 | 0 | 0 | 109.8 | |||||
| 190 | S | 28 | Very low | 33.6 | Very low | 99 Ų | 99 | 165.3 Ų | 165.3 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | 88.6 | 106.5 | 88.7 | -179.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 191 | W | 24.9 | Very low | 34.2 | Very low | 223 Ų | 223 | 165 Ų | 165 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | 77.6 | 116.7 | 142.6 | -145.9 | -100.2 | 0 | 0 | 0 | 116.7 | ||||
| 192 | K | 29.9 | Very low | 35.4 | Very low | 183 Ų | 183 | 164.6 Ų | 164.6 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | -150.7 | 144.3 | 52.7 | -80.9 | -174.3 | 176.7 | -166.6 | 0 | 114.1 | |||||
| 193 | Q | 33.8 | Very low | 36.9 | Very low | 196 Ų | 196 | 161.4 Ų | 161.4 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 139.5 | 172.7 | -70 | 163.6 | -23.6 | 0 | 0 | 112.8 | ||||
| 194 | S | 29.8 | Very low | 38.4 | Very low | 125 Ų | 125 | 157.4 Ų | 157.4 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -132.7 | 123.3 | 148.3 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 195 | S | 35.8 | Very low | 40.9 | Very low | 118 Ų | 118 | 158.1 Ų | 158.1 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -83.6 | 134 | -167.3 | 48 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 196 | G | 34.5 | Very low | 43.3 | Very low | 72 Ų | 72 | 149.8 Ų | 149.8 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 118 | 114.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 197 | Q | 40.9 | Very low | 45.6 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | 73.7 | 70.2 | 159.2 | -66.9 | 179 | -40.2 | 0 | 0 | 118.7 | ||||
| 198 | K | 44.5 | Very low | 48.1 | Very low | 210 Ų | 210 | 146.3 Ų | 146.3 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | -120.2 | 61.8 | 146.7 | -82.6 | -171.8 | 177.4 | 179.8 | 0 | 110.5 | ||||
| 199 | Q | 46.6 | Very low | 50.4 | Low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | trans | -150.4 | 87 | 167.6 | -72.6 | -157.3 | -6 | 0 | 0 | 111.3 | ||||
| 200 | H | 43.4 | Very low | 53 | Low | 156 Ų | 156 | 138.8 Ų | 138.8 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -141.4 | 60.5 | 147.5 | -97.7 | -75.2 | 0 | 0 | 0 | 108.3 | N202 | H200-N202 VanDerWaalsContact C-N 3.28Å; H200-N202 PolarHBondContact O-N 2.98Å; H200-N202 VanDerWaalsContact O-N 3.08Å | ||
| 201 | R | 44.6 | Very low | 55.7 | Low | 235 Ų | 235 | 139 Ų | 139 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | trans | -71.5 | 96.8 | 157.7 | -170.3 | 178.1 | -176.2 | -177.1 | 1.2 | 104.6 | Q203 | R201-Q203 PolarHBondContact O-N 2.85Š| ||
| 202 | N | 51.2 | Low | 58.9 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -50.7 | 105 | 178.3 | -72.9 | -19.9 | 0 | 0 | 0 | 108.5 | H200 G204 | H200-N202 VanDerWaalsContact C-N 3.28Å; H200-N202 PolarHBondContact O-N 2.98Å; H200-N202 VanDerWaalsContact O-N 3.08Å; N202-G204 VanDerWaalsContact C-N 3.27Å; N202-G204 PolarHBondContact O-N 3.36Å | ||
| 203 | Q | 61.7 | Low | 61.8 | Low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | trans | -70.5 | 95.5 | 168.5 | -73.3 | -178.3 | 40.2 | 0 | 0 | 104.9 | R201 H205 | R201-Q203 PolarHBondContact O-N 2.85Å; Q203-H205 PolarHBondContact O-N 2.97Å | ||
| 204 | G | 63.4 | Low | 64.6 | Low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -64 | 117.5 | 174 | 0 | 0 | 0 | 0 | 0 | 108.2 | N202 S206 | N202-G204 VanDerWaalsContact C-N 3.27Å; N202-G204 PolarHBondContact O-N 3.36Å; G204-S206 PolarHBondContact O-N 3.08Å |
| 205 | H | 80.6 | Confident | 67.7 | Low | 75 Ų | 75 | 122.2 Ų | 122.2 | 35% | 0.347 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 132.7 | 172.7 | -65.8 | -70.6 | 0 | 0 | 0 | 109.5 | Q203 E209 L210 L221 | Q203-H205 PolarHBondContact O-N 2.97Å; H205-E209 IonicContact CE1-OE1 3.9Å; H205-E209 IonicContact ND1-OE1 3.84Å; H205-E209 PolarHBondContact ND1-OE1 2.84Å; H205-E209 IonicContact ND1-OE2 3.06Å; H205-L210 HydrophobicContact CB-CD1 4.32Å; H205-L210 HydrophobicContact CB-CD2 3.67Å; H205-L210 HydrophobicContact CB-CG 3.8Å; H205-L221 WeakPolarHBondContact NE2-CD1 3.39Å |
| 206 | S | 84.9 | Confident | 70.4 | Confident | 65 Ų | 65 | 122.7 Ų | 122.7 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 152 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 110 | G204 D208 E209 L210 | G204-S206 PolarHBondContact O-N 3.08Å; S206-D208 PolarHBondContact O-N 3.27Å; S206-E209 PolarHBondContact N-OE2 3.45Å; S206-E209 VanDerWaalsContact N-OE2 3.16Å; S206-E209 WeakPolarHBondContact O-CA 3.35Å; S206-E209 VanDerWaalsContact O-CB 3.22Å; S206-E209 WeakPolarHBondContact O-CB 3.39Å; S206-E209 PolarHBondContact O-N 3.44Å; S206-L210 PolarHBondContact O-N 2.92Å; S206-L210 VanDerWaalsContact O-N 3.08Å |
| 207 | K | 81.4 | Confident | 73.1 | Confident | 167 Ų | 167 | 123.8 Ų | 123.8 | 73% | 0.726 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -53.8 | -40.4 | 176.5 | -176.4 | 178.7 | 177.8 | 179.3 | 0 | 112.1 | E209 L210 T211 | K207-E209 PolarHBondContact O-N 3.21Å; K207-L210 PolarHBondContact O-N 3.17Å; K207-T211 WeakPolarHBondContact O-CG2 3.04Å; K207-T211 PolarHBondContact O-N 3.43Å; K207-T211 PolarHBondContact O-OG1 2.87Å |
| 208 | D | 83.2 | Confident | 75.6 | Confident | 108 Ų | 108 | 118.3 Ų | 118.3 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.5 | -23.4 | -179.8 | -61.5 | -30.5 | 0 | 0 | 0 | 112.8 | S206 T211 K212 | S206-D208 PolarHBondContact O-N 3.27Å; D208-T211 WeakPolarHBondContact CA-OG1 3.49Å; D208-T211 PolarHBondContact O-OG1 2.89Å; D208-K212 WeakPolarHBondContact O-CD 3.5Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.27Å |
| 209 | E | 84.6 | Confident | 77.9 | Confident | 94 Ų | 94 | 113.9 Ų | 113.9 | 44% | 0.439 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -77.9 | -47.4 | 178.1 | -162.5 | -176.6 | 158.2 | 0 | 0 | 109.8 | H205 S206 K207 T211 K212 M213 | H205-E209 IonicContact CE1-OE1 3.9Å; H205-E209 IonicContact ND1-OE1 3.84Å; H205-E209 PolarHBondContact ND1-OE1 2.84Å; H205-E209 IonicContact ND1-OE2 3.06Å; S206-E209 PolarHBondContact N-OE2 3.45Å; S206-E209 VanDerWaalsContact N-OE2 3.16Å; S206-E209 WeakPolarHBondContact O-CA 3.35Å; S206-E209 VanDerWaalsContact O-CB 3.22Å; S206-E209 WeakPolarHBondContact O-CB 3.39Å; S206-E209 PolarHBondContact O-N 3.44Å; K207-E209 PolarHBondContact O-N 3.21Å; E209-T211 VanDerWaalsContact C-N 3.28Å; E209-T211 PolarHBondContact O-N 3.27Å; E209-K212 PolarHBondContact O-N 3.46Å; E209-M213 WeakPolarHBondContact O-CG 3.48Å; E209-M213 PolarHBondContact O-N 2.97Å |
| 210 | L | 85.3 | Confident | 80.3 | Confident | 60 Ų | 60 | 111.1 Ų | 111.1 | 31% | 0.314 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.7 | -36.3 | 175.3 | -65.2 | 171.7 | 0 | 0 | 0 | 112.5 | H205 S206 K207 K212 M213 L218 L221 | H205-L210 HydrophobicContact CB-CD1 4.32Å; H205-L210 HydrophobicContact CB-CD2 3.67Å; H205-L210 HydrophobicContact CB-CG 3.8Å; S206-L210 PolarHBondContact O-N 2.92Å; S206-L210 VanDerWaalsContact O-N 3.08Å; K207-L210 PolarHBondContact O-N 3.17Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 3.5Å; L210-M213 HydrophobicContact CD2-SD 4.02Å; L210-M213 PolarHBondContact O-N 2.94Å; L210-L218 HydrophobicContact CD2-CD2 4.18Å; L210-L221 HydrophobicContact CD2-CD2 3.57Å |
| 211 | T | 85.8 | Confident | 82.6 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 63% | 0.632 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17 | 177.5 | 50 | 0 | 0 | 0 | 0 | 114.3 | K207 D208 E209 | K207-T211 WeakPolarHBondContact O-CG2 3.04Å; K207-T211 PolarHBondContact O-N 3.43Å; K207-T211 PolarHBondContact O-OG1 2.87Å; D208-T211 WeakPolarHBondContact CA-OG1 3.49Å; D208-T211 PolarHBondContact O-OG1 2.89Å; E209-T211 VanDerWaalsContact C-N 3.28Å; E209-T211 PolarHBondContact O-N 3.27Å |
| 212 | K | 90.8 | Very high | 84.9 | Confident | 175 Ų | 175 | 98.4 Ų | 98.4 | 76% | 0.761 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -16.1 | 178.3 | -71.8 | 172.8 | -173.9 | 176.7 | 0 | 112.7 | D208 E209 L210 | D208-K212 WeakPolarHBondContact O-CD 3.5Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.27Å; E209-K212 PolarHBondContact O-N 3.46Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 3.5Å |
| 213 | M | 91 | Very high | 87 | Confident | 45 Ų | 45 | 95.7 Ų | 95.7 | 22% | 0.222 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -67.3 | 144.3 | 177.1 | -70.8 | 175 | 74.1 | 0 | 0 | 110.4 | E209 L210 E217 L218 L221 | E209-M213 WeakPolarHBondContact O-CG 3.48Å; E209-M213 PolarHBondContact O-N 2.97Å; L210-M213 HydrophobicContact CD2-SD 4.02Å; L210-M213 PolarHBondContact O-N 2.94Å; M213-E217 HydrophobicContact CB-CB 4.26Å; M213-E217 HydrophobicContact CE-CB 3.59Å; M213-L218 HydrophobicContact CB-CD2 4.26Å; M213-L218 HydrophobicContact CB-CG 3.94Å; M213-L218 HydrophobicContact SD-CD2 4.36Å; M213-L221 HydrophobicContact CE-CB 4.41Å; M213-L221 HydrophobicContact CE-CD2 4.38Å; M213-L221 HydrophobicContact SD-CD2 4.48Å |
| 214 | S | 93.6 | Very high | 88.6 | Confident | 54 Ų | 54 | 91.9 Ų | 91.9 | 38% | 0.378 | 49% | 0.492 | S | S | . | . | trans | -67.1 | 161.5 | 169.3 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | D216 E217 L218 | S214-D216 PolarHBondContact O-N 2.95Å; S214-E217 WeakPolarHBondContact CB-OE2 3.21Å; S214-E217 PolarHBondContact N-OE2 2.7Å; S214-E217 PolarHBondContact O-N 2.82Å; S214-E217 WeakPolarHBondContact OG-CG 3.44Å; S214-E217 PolarHBondContact OG-N 3.45Å; S214-E217 PolarHBondContact OG-OE2 3.13Å; S214-L218 PolarHBondContact O-N 3.15Å | ||
| 215 | V | 93 | Very high | 90.1 | Very high | 100 Ų | 100 | 92.7 Ų | 92.7 | 61% | 0.606 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59 | -38.8 | 178.5 | 176 | 0 | 0 | 0 | 0 | 111.1 | L218 H219 | V215-L218 PolarHBondContact O-N 2.97Å; V215-H219 PolarHBondContact O-CD2 3.21Å; V215-H219 PolarHBondContact O-N 2.75Å |
| 216 | D | 93.3 | Very high | 90.9 | Very high | 129 Ų | 129 | 93.8 Ų | 93.8 | 69% | 0.69 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68 | -41 | 179.7 | -62.3 | -37.1 | 0 | 0 | 0 | 112.2 | S214 L218 H219 Q220 | S214-D216 PolarHBondContact O-N 2.95Å; D216-L218 VanDerWaalsContact C-N 3.35Å; D216-H219 WeakPolarHBondContact O-CB 3.5Å; D216-H219 PolarHBondContact O-N 3.09Å; D216-Q220 PolarHBondContact O-N 3.38Å |
| 217 | E | 92.3 | Very high | 91.5 | Very high | 95 Ų | 95 | 97.8 Ų | 97.8 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 175.6 | -68.7 | 165.9 | 140.4 | 0 | 0 | 111.6 | M213 S214 Q220 L221 | M213-E217 HydrophobicContact CB-CB 4.26Å; M213-E217 HydrophobicContact CE-CB 3.59Å; S214-E217 WeakPolarHBondContact CB-OE2 3.21Å; S214-E217 PolarHBondContact N-OE2 2.7Å; S214-E217 PolarHBondContact O-N 2.82Å; S214-E217 WeakPolarHBondContact OG-CG 3.44Å; S214-E217 PolarHBondContact OG-N 3.45Å; S214-E217 PolarHBondContact OG-OE2 3.13Å; E217-Q220 PolarHBondContact O-N 3.23Å; E217-L221 WeakPolarHBondContact O-CB 3.44Å; E217-L221 PolarHBondContact O-N 2.76Å |
| 218 | L | 92.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 93.5 Ų | 93.5 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 173 | -76.2 | 168.7 | 0 | 0 | 0 | 111.8 | L210 M213 S214 V215 D216 Q220 L221 N222 | L210-L218 HydrophobicContact CD2-CD2 4.18Å; M213-L218 HydrophobicContact CB-CD2 4.26Å; M213-L218 HydrophobicContact CB-CG 3.94Å; M213-L218 HydrophobicContact SD-CD2 4.36Å; S214-L218 PolarHBondContact O-N 3.15Å; V215-L218 PolarHBondContact O-N 2.97Å; D216-L218 VanDerWaalsContact C-N 3.35Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-L221 PolarHBondContact O-N 2.94Å; L218-N222 WeakPolarHBondContact O-CB 3.5Å; L218-N222 PolarHBondContact O-N 3.2Å |
| 219 | H | 93.9 | Very high | 92.7 | Very high | 118 Ų | 118 | 91.9 Ų | 91.9 | 55% | 0.546 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 173.6 | -88.4 | -69.2 | 0 | 0 | 0 | 112.2 | V215 D216 N222 S223 | V215-H219 PolarHBondContact O-CD2 3.21Å; V215-H219 PolarHBondContact O-N 2.75Å; D216-H219 WeakPolarHBondContact O-CB 3.5Å; D216-H219 PolarHBondContact O-N 3.09Å; H219-N222 PolarHBondContact O-N 3.35Å; H219-S223 WeakPolarHBondContact O-CB 3.14Å; H219-S223 PolarHBondContact O-N 3.48Å; H219-S223 PolarHBondContact O-OG 3.47Å |
| 220 | Q | 95.1 | Very high | 93.3 | Very high | 121 Ų | 121 | 93.1 Ų | 93.1 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 176.1 | -172.7 | 177.8 | 9.7 | 0 | 0 | 111.6 | D216 E217 L218 N222 S223 Q224 | D216-Q220 PolarHBondContact O-N 3.38Å; E217-Q220 PolarHBondContact O-N 3.23Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; Q220-N222 PolarHBondContact O-N 3.3Å; Q220-S223 WeakPolarHBondContact O-CB 3.48Å; Q220-S223 PolarHBondContact O-N 3.37Å; Q220-Q224 WeakPolarHBondContact O-CG 3.33Å; Q220-Q224 PolarHBondContact O-N 3.11Å |
| 221 | L | 93.1 | Very high | 93.9 | Very high | 41 Ų | 41 | 95.6 Ų | 95.6 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 176.5 | -176.4 | 65.2 | 0 | 0 | 0 | 111.5 | H205 L210 M213 E217 L218 S223 Q224 L225 | H205-L221 WeakPolarHBondContact NE2-CD1 3.39Å; L210-L221 HydrophobicContact CD2-CD2 3.57Å; M213-L221 HydrophobicContact CE-CB 4.41Å; M213-L221 HydrophobicContact CE-CD2 4.38Å; M213-L221 HydrophobicContact SD-CD2 4.48Å; E217-L221 WeakPolarHBondContact O-CB 3.44Å; E217-L221 PolarHBondContact O-N 2.76Å; L218-L221 PolarHBondContact O-N 2.94Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.33Å; L221-Q224 PolarHBondContact O-N 2.93Å; L221-L225 PolarHBondContact O-N 3.49Å |
| 222 | N | 93.4 | Very high | 94.5 | Very high | 84 Ų | 84 | 94.9 Ų | 94.9 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 176.4 | -170.3 | 40.2 | 0 | 0 | 0 | 111.6 | L218 H219 Q220 Q224 L225 L226 | L218-N222 WeakPolarHBondContact O-CB 3.5Å; L218-N222 PolarHBondContact O-N 3.2Å; H219-N222 PolarHBondContact O-N 3.35Å; Q220-N222 PolarHBondContact O-N 3.3Å; N222-Q224 VanDerWaalsContact C-N 3.32Å; N222-Q224 PolarHBondContact O-N 2.91Å; N222-L225 PolarHBondContact O-N 3.22Å; N222-L226 WeakPolarHBondContact O-CG 3.49Å; N222-L226 PolarHBondContact O-N 3.45Å |
| 223 | S | 95.3 | Very high | 94.9 | Very high | 62 Ų | 62 | 92.7 Ų | 92.7 | 43% | 0.434 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | H219 Q220 L221 K227 | H219-S223 WeakPolarHBondContact O-CB 3.14Å; H219-S223 PolarHBondContact O-N 3.48Å; H219-S223 PolarHBondContact O-OG 3.47Å; Q220-S223 WeakPolarHBondContact O-CB 3.48Å; Q220-S223 PolarHBondContact O-N 3.37Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.33Å; S223-K227 WeakPolarHBondContact O-CG 3.3Å; S223-K227 PolarHBondContact O-N 3.01Å; S223-K227 VanDerWaalsContact O-N 3.16Å |
| 224 | Q | 95.1 | Very high | 95.2 | Very high | 95 Ų | 95 | 96.6 Ų | 96.6 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 174.5 | -71.5 | 176.2 | 4.7 | 0 | 0 | 112 | Q220 L221 N222 L226 K227 Q228 | Q220-Q224 WeakPolarHBondContact O-CG 3.33Å; Q220-Q224 PolarHBondContact O-N 3.11Å; L221-Q224 PolarHBondContact O-N 2.93Å; N222-Q224 VanDerWaalsContact C-N 3.32Å; N222-Q224 PolarHBondContact O-N 2.91Å; Q224-L226 VanDerWaalsContact C-N 3.34Å; Q224-K227 PolarHBondContact O-N 3.25Å; Q224-Q228 WeakPolarHBondContact O-CG 3.29Å; Q224-Q228 PolarHBondContact O-N 2.96Å |
| 225 | L | 95 | Very high | 95.4 | Very high | 88 Ų | 88 | 99.2 Ų | 99.2 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.5 | -179.4 | 63.7 | 0 | 0 | 0 | 111 | L221 N222 K227 Q228 I229 | L221-L225 PolarHBondContact O-N 3.49Å; N222-L225 PolarHBondContact O-N 3.22Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 2.97Å; L225-Q228 PolarHBondContact O-N 3.37Å; L225-I229 HydrophobicContact CD1-CD1 4.24Å; L225-I229 HydrophobicContact CD1-CG1 4.4Å; L225-I229 HydrophobicContact CG-CD1 3.87Å; L225-I229 HydrophobicContact CG-CG1 4.46Å; L225-I229 WeakPolarHBondContact O-CB 3.21Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.41Å; L225-I229 PolarHBondContact O-N 3.45Å |
| 226 | L | 96.6 | Very high | 95.7 | Very high | 99 Ų | 99 | 99.2 Ų | 99.2 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 176.1 | -73 | 171.9 | 0 | 0 | 0 | 111.9 | N222 Q224 Q228 I229 E230 | N222-L226 WeakPolarHBondContact O-CG 3.49Å; N222-L226 PolarHBondContact O-N 3.45Å; Q224-L226 VanDerWaalsContact C-N 3.34Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; L226-Q228 PolarHBondContact O-N 3.45Å; L226-I229 PolarHBondContact O-N 3.3Å; L226-E230 WeakPolarHBondContact O-CB 3.48Å; L226-E230 PolarHBondContact O-N 3.16Å |
| 227 | K | 96.5 | Very high | 95.9 | Very high | 148 Ų | 148 | 96.4 Ų | 96.4 | 64% | 0.643 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 175.4 | -73.1 | 179.1 | 179.3 | -175.7 | 0 | 113 | S223 Q224 L225 K231 | S223-K227 WeakPolarHBondContact O-CG 3.3Å; S223-K227 PolarHBondContact O-N 3.01Å; S223-K227 VanDerWaalsContact O-N 3.16Å; Q224-K227 PolarHBondContact O-N 3.25Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 2.97Å; K227-K231 WeakPolarHBondContact O-CB 3.43Å; K227-K231 PolarHBondContact O-N 2.89Å |
| 228 | Q | 95.8 | Very high | 96.2 | Very high | 78 Ų | 78 | 94.4 Ų | 94.4 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 175.3 | -73.5 | -178.3 | 3.8 | 0 | 0 | 111.5 | Q224 L225 L226 K231 V232 | Q224-Q228 WeakPolarHBondContact O-CG 3.29Å; Q224-Q228 PolarHBondContact O-N 2.96Å; L225-Q228 PolarHBondContact O-N 3.37Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; L226-Q228 PolarHBondContact O-N 3.45Å; Q228-K231 PolarHBondContact O-N 3.2Å; Q228-V232 VanDerWaalsContact O-CG2 3.29Å; Q228-V232 WeakPolarHBondContact O-CG2 3.44Å; Q228-V232 PolarHBondContact O-N 3.01Å |
| 229 | I | 95.9 | Very high | 96.5 | Very high | 73 Ų | 73 | 93.6 Ų | 93.6 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 176.3 | -71.4 | 168.2 | 0 | 0 | 0 | 109.8 | L225 L226 K231 V232 F233 | L225-I229 HydrophobicContact CD1-CD1 4.24Å; L225-I229 HydrophobicContact CD1-CG1 4.4Å; L225-I229 HydrophobicContact CG-CD1 3.87Å; L225-I229 HydrophobicContact CG-CG1 4.46Å; L225-I229 WeakPolarHBondContact O-CB 3.21Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.41Å; L225-I229 PolarHBondContact O-N 3.45Å; L226-I229 PolarHBondContact O-N 3.3Å; I229-K231 PolarHBondContact O-N 3.29Å; I229-V232 PolarHBondContact O-N 2.95Å; I229-F233 HydrophobicContact CG2-CD2 3.54Å; I229-F233 HydrophobicContact CG2-CE2 3.44Å; I229-F233 VanDerWaalsContact CG2-CE2 3.44Å; I229-F233 WeakPolarHBondContact O-CD2 3.35Å; I229-F233 PolarHBondContact O-N 2.99Å |
| 230 | E | 97.3 | Very high | 96.7 | Very high | 120 Ų | 120 | 91.2 Ų | 91.2 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.7 | -49.1 | 177.8 | -174.4 | 173.3 | -157.2 | 0 | 0 | 111.5 | L226 V232 F233 E234 | L226-E230 WeakPolarHBondContact O-CB 3.48Å; L226-E230 PolarHBondContact O-N 3.16Å; E230-V232 VanDerWaalsContact C-N 3.35Å; E230-V232 PolarHBondContact O-N 3.42Å; E230-F233 WeakPolarHBondContact O-CB 3.39Å; E230-F233 PolarHBondContact O-N 3.49Å; E230-F233 VanDerWaalsContact O-N 3.11Å; E230-E234 WeakPolarHBondContact O-CG 3.49Å; E230-E234 PolarHBondContact O-N 2.92Å |
| 231 | K | 97.4 | Very high | 96.8 | Very high | 112 Ų | 112 | 91.5 Ų | 91.5 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 176.5 | -177.3 | 178.4 | 174.5 | -176.5 | 0 | 112.8 | K227 Q228 I229 F233 E234 E235 | K227-K231 WeakPolarHBondContact O-CB 3.43Å; K227-K231 PolarHBondContact O-N 2.89Å; Q228-K231 PolarHBondContact O-N 3.2Å; I229-K231 PolarHBondContact O-N 3.29Å; K231-F233 VanDerWaalsContact C-N 3.31Å; K231-F233 PolarHBondContact O-N 3.41Å; K231-E234 PolarHBondContact O-N 2.92Å; K231-E235 WeakPolarHBondContact CE-OE1 3.31Å; K231-E235 IonicContact NZ-OE1 2.63Å; K231-E235 WeakPolarHBondContact O-CG 3.01Å; K231-E235 PolarHBondContact O-N 3.49Å |
| 232 | V | 98.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 177.9 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | Q228 I229 E230 E235 L236 | Q228-V232 VanDerWaalsContact O-CG2 3.29Å; Q228-V232 WeakPolarHBondContact O-CG2 3.44Å; Q228-V232 PolarHBondContact O-N 3.01Å; I229-V232 PolarHBondContact O-N 2.95Å; E230-V232 VanDerWaalsContact C-N 3.35Å; E230-V232 PolarHBondContact O-N 3.42Å; V232-E235 PolarHBondContact O-N 3.33Å; V232-L236 VanDerWaalsContact O-CB 3.3Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 PolarHBondContact O-N 3.38Å |
| 233 | F | 98.2 | Very high | 97.3 | Very high | 129 Ų | 129 | 97 Ų | 97 | 57% | 0.566 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 174.8 | -86.4 | -67.4 | 0 | 0 | 0 | 112.5 | I229 E230 K231 L236 T237 | I229-F233 HydrophobicContact CG2-CD2 3.54Å; I229-F233 HydrophobicContact CG2-CE2 3.44Å; I229-F233 VanDerWaalsContact CG2-CE2 3.44Å; I229-F233 WeakPolarHBondContact O-CD2 3.35Å; I229-F233 PolarHBondContact O-N 2.99Å; E230-F233 WeakPolarHBondContact O-CB 3.39Å; E230-F233 PolarHBondContact O-N 3.49Å; E230-F233 VanDerWaalsContact O-N 3.11Å; K231-F233 VanDerWaalsContact C-N 3.31Å; K231-F233 PolarHBondContact O-N 3.41Å; F233-L236 PolarHBondContact O-N 3.46Å; F233-T237 WeakPolarHBondContact O-CB 3.27Å; F233-T237 PolarHBondContact O-N 3.23Å; F233-T237 PolarHBondContact O-OG1 3.32Å |
| 234 | E | 98.4 | Very high | 97.5 | Very high | 126 Ų | 126 | 98.3 Ų | 98.3 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -48.1 | 173.8 | -71.3 | 179.2 | 165 | 0 | 0 | 111.4 | E230 K231 L236 T237 A238 | E230-E234 WeakPolarHBondContact O-CG 3.49Å; E230-E234 PolarHBondContact O-N 2.92Å; K231-E234 PolarHBondContact O-N 2.92Å; E234-L236 PolarHBondContact O-N 2.98Å; E234-T237 PolarHBondContact O-N 2.96Å; E234-A238 PolarHBondContact O-N 3.32Å |
| 235 | E | 98.1 | Very high | 97.6 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 177.5 | -73 | 175.8 | -175.7 | 0 | 0 | 111.9 | K231 V232 T237 A238 A239 | K231-E235 WeakPolarHBondContact CE-OE1 3.31Å; K231-E235 IonicContact NZ-OE1 2.63Å; K231-E235 WeakPolarHBondContact O-CG 3.01Å; K231-E235 PolarHBondContact O-N 3.49Å; V232-E235 PolarHBondContact O-N 3.33Å; E235-T237 VanDerWaalsContact C-N 3.34Å; E235-T237 PolarHBondContact O-N 3.45Å; E235-A238 PolarHBondContact O-N 2.97Å; E235-A239 WeakPolarHBondContact O-CB 3.33Å; E235-A239 PolarHBondContact O-N 2.9Å |
| 236 | L | 98.3 | Very high | 97.8 | Very high | 100 Ų | 100 | 96.7 Ų | 96.7 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 177.3 | -175.7 | 63 | 0 | 0 | 0 | 111.6 | V232 F233 E234 A239 V240 | V232-L236 VanDerWaalsContact O-CB 3.3Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 PolarHBondContact O-N 3.38Å; F233-L236 PolarHBondContact O-N 3.46Å; E234-L236 PolarHBondContact O-N 2.98Å; L236-A239 PolarHBondContact O-N 2.71Å; L236-V240 HydrophobicContact CD1-CG2 4.47Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.45Å; L236-V240 PolarHBondContact O-N 3.28Å |
| 237 | T | 98.4 | Very high | 97.8 | Very high | 70 Ų | 70 | 94.5 Ų | 94.5 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | F233 E234 E235 A239 V240 Q241 | F233-T237 WeakPolarHBondContact O-CB 3.27Å; F233-T237 PolarHBondContact O-N 3.23Å; F233-T237 PolarHBondContact O-OG1 3.32Å; E234-T237 PolarHBondContact O-N 2.96Å; E235-T237 VanDerWaalsContact C-N 3.34Å; E235-T237 PolarHBondContact O-N 3.45Å; T237-A239 PolarHBondContact O-N 3.01Å; T237-V240 PolarHBondContact O-N 3.49Å; T237-Q241 VanDerWaalsContact O-CG 3.31Å; T237-Q241 WeakPolarHBondContact O-CG 3.31Å; T237-Q241 PolarHBondContact O-N 3.32Å |
| 238 | A | 98.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 90.8 Ų | 90.8 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E234 E235 V240 Q241 E242 | E234-A238 PolarHBondContact O-N 3.32Å; E235-A238 PolarHBondContact O-N 2.97Å; A238-V240 VanDerWaalsContact C-N 3.34Å; A238-V240 PolarHBondContact O-N 3.43Å; A238-Q241 PolarHBondContact O-N 3Å; A238-E242 PolarHBondContact O-N 2.83Å |
| 239 | A | 97.9 | Very high | 98 | Very high | 50 Ų | 50 | 91.1 Ų | 91.1 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E235 L236 T237 K243 | E235-A239 WeakPolarHBondContact O-CB 3.33Å; E235-A239 PolarHBondContact O-N 2.9Å; L236-A239 PolarHBondContact O-N 2.71Å; T237-A239 PolarHBondContact O-N 3.01Å; A239-K243 WeakPolarHBondContact O-CB 3.47Å; A239-K243 PolarHBondContact O-N 3.4Å |
| 240 | V | 98.6 | Very high | 98.1 | Very high | 68 Ų | 68 | 93.2 Ų | 93.2 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 176.1 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | L236 T237 A238 E242 K243 D244 | L236-V240 HydrophobicContact CD1-CG2 4.47Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.45Å; L236-V240 PolarHBondContact O-N 3.28Å; T237-V240 PolarHBondContact O-N 3.49Å; A238-V240 VanDerWaalsContact C-N 3.34Å; A238-V240 PolarHBondContact O-N 3.43Å; V240-E242 PolarHBondContact O-N 3.26Å; V240-K243 PolarHBondContact O-N 3.42Å; V240-D244 PolarHBondContact O-N 3.49Å |
| 241 | Q | 98.3 | Very high | 98.1 | Very high | 126 Ų | 126 | 93.1 Ų | 93.1 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 176.8 | -72.7 | 174 | -8.9 | 0 | 0 | 112 | T237 A238 D244 A245 | T237-Q241 VanDerWaalsContact O-CG 3.31Å; T237-Q241 WeakPolarHBondContact O-CG 3.31Å; T237-Q241 PolarHBondContact O-N 3.32Å; A238-Q241 PolarHBondContact O-N 3Å; Q241-D244 PolarHBondContact O-N 2.91Å; Q241-A245 WeakPolarHBondContact O-CB 3.38Å; Q241-A245 PolarHBondContact O-N 3.33Å |
| 242 | E | 98.1 | Very high | 98.2 | Very high | 125 Ų | 125 | 92.5 Ų | 92.5 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 175.4 | -175.8 | -178.5 | 179.8 | 0 | 0 | 111.3 | A238 V240 D244 A245 L246 | A238-E242 PolarHBondContact O-N 2.83Å; V240-E242 PolarHBondContact O-N 3.26Å; E242-D244 VanDerWaalsContact C-N 3.3Å; E242-D244 PolarHBondContact O-N 3.46Å; E242-A245 PolarHBondContact O-N 2.94Å; E242-L246 HydrophobicContact CG-CD1 4.11Å; E242-L246 HydrophobicContact CG-CG 4.45Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 2.88Å |
| 243 | K | 98.3 | Very high | 98.2 | Very high | 117 Ų | 117 | 95.8 Ų | 95.8 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 177 | -172.6 | -156.5 | 63.3 | 59.7 | 0 | 111.7 | A239 V240 A247 | A239-K243 WeakPolarHBondContact O-CB 3.47Å; A239-K243 PolarHBondContact O-N 3.4Å; V240-K243 PolarHBondContact O-N 3.42Å; K243-A247 VanDerWaalsContact O-CB 3.31Å; K243-A247 WeakPolarHBondContact O-CB 3.38Å; K243-A247 PolarHBondContact O-N 3.32Å |
| 244 | D | 98.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 94.1 Ų | 94.1 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 178.8 | -73 | -14.4 | 0 | 0 | 0 | 111.8 | V240 Q241 E242 A247 S248 | V240-D244 PolarHBondContact O-N 3.49Å; Q241-D244 PolarHBondContact O-N 2.91Å; E242-D244 VanDerWaalsContact C-N 3.3Å; E242-D244 PolarHBondContact O-N 3.46Å; D244-A247 PolarHBondContact O-N 3.19Å; D244-S248 PolarHBondContact O-N 3.24Å |
| 245 | A | 98.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 90.6 Ų | 90.6 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q241 E242 A247 S248 E249 | Q241-A245 WeakPolarHBondContact O-CB 3.38Å; Q241-A245 PolarHBondContact O-N 3.33Å; E242-A245 PolarHBondContact O-N 2.94Å; A245-A247 PolarHBondContact O-N 3.29Å; A245-S248 PolarHBondContact O-N 3.48Å; A245-S248 PolarHBondContact O-OG 3.44Å; A245-E249 PolarHBondContact O-N 3.34Å |
| 246 | L | 98.4 | Very high | 98 | Very high | 93 Ų | 93 | 87.8 Ų | 87.8 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 177.2 | -69.5 | 173.9 | 0 | 0 | 0 | 112.5 | E242 S248 E249 L250 | E242-L246 HydrophobicContact CG-CD1 4.11Å; E242-L246 HydrophobicContact CG-CG 4.45Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 2.88Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 2.67Å; L246-E249 PolarHBondContact O-N 2.99Å; L246-L250 WeakPolarHBondContact O-CB 3.34Å; L246-L250 PolarHBondContact O-N 3.49Å |
| 247 | A | 97.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 87.2 Ų | 87.2 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K243 D244 A245 L250 H251 | K243-A247 VanDerWaalsContact O-CB 3.31Å; K243-A247 WeakPolarHBondContact O-CB 3.38Å; K243-A247 PolarHBondContact O-N 3.32Å; D244-A247 PolarHBondContact O-N 3.19Å; A245-A247 PolarHBondContact O-N 3.29Å; A247-L250 PolarHBondContact O-N 2.92Å; A247-H251 WeakPolarHBondContact O-CB 3.4Å; A247-H251 PolarHBondContact O-N 2.94Å |
| 248 | S | 97.9 | Very high | 97.5 | Very high | 70 Ų | 70 | 87.4 Ų | 87.4 | 49% | 0.49 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 175.6 | 79 | 0 | 0 | 0 | 0 | 112.2 | D244 A245 L246 H251 V252 | D244-S248 PolarHBondContact O-N 3.24Å; A245-S248 PolarHBondContact O-N 3.48Å; A245-S248 PolarHBondContact O-OG 3.44Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 2.67Å; S248-H251 PolarHBondContact O-N 3.13Å; S248-V252 WeakPolarHBondContact O-CG2 3.47Å; S248-V252 PolarHBondContact O-N 3.34Å |
| 249 | E | 98 | Very high | 97.3 | Very high | 85 Ų | 85 | 89 Ų | 89 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.5 | -172.7 | -174.4 | 167.3 | 0 | 0 | 111.2 | A245 L246 H251 V252 R253 | A245-E249 PolarHBondContact O-N 3.34Å; L246-E249 PolarHBondContact O-N 2.99Å; E249-H251 VanDerWaalsContact C-N 3.3Å; E249-H251 PolarHBondContact O-N 3.03Å; E249-V252 PolarHBondContact O-N 3.36Å; E249-R253 WeakPolarHBondContact O-CG 3.34Å; E249-R253 PolarHBondContact O-N 2.92Å; E249-R253 IonicContact OE1-CZ 3.32Å; E249-R253 IonicContact OE1-NE 3.27Å; E249-R253 PolarHBondContact OE1-NE 3.44Å; E249-R253 IonicContact OE1-NH2 3.15Å; E249-R253 PolarHBondContact OE1-NH2 2.83Å |
| 250 | L | 98.3 | Very high | 96.9 | Very high | 118 Ų | 118 | 91 Ų | 91 | 62% | 0.618 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.8 | -44.9 | 176.5 | -168.2 | 164.6 | 0 | 0 | 0 | 110.5 | L246 A247 V252 R253 H254 | L246-L250 WeakPolarHBondContact O-CB 3.34Å; L246-L250 PolarHBondContact O-N 3.49Å; A247-L250 PolarHBondContact O-N 2.92Å; L250-V252 PolarHBondContact O-N 3.29Å; L250-R253 PolarHBondContact O-N 3.27Å; L250-H254 WeakPolarHBondContact O-CB 3.24Å; L250-H254 PolarHBondContact O-N 2.95Å |
| 251 | H | 98 | Very high | 96.3 | Very high | 118 Ų | 118 | 94.8 Ų | 94.8 | 55% | 0.546 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 177.2 | -178.1 | 67.3 | 0 | 0 | 0 | 112 | A247 S248 E249 R253 H254 V255 | A247-H251 WeakPolarHBondContact O-CB 3.4Å; A247-H251 PolarHBondContact O-N 2.94Å; S248-H251 PolarHBondContact O-N 3.13Å; E249-H251 VanDerWaalsContact C-N 3.3Å; E249-H251 PolarHBondContact O-N 3.03Å; H251-R253 PolarHBondContact O-N 3.01Å; H251-H254 WeakPolarHBondContact O-CB 3.23Å; H251-H254 PolarHBondContact O-N 3.05Å; H251-V255 WeakPolarHBondContact O-CG2 3.27Å; H251-V255 PolarHBondContact O-N 2.93Å |
| 252 | V | 98.3 | Very high | 95.8 | Very high | 98 Ų | 98 | 94.6 Ų | 94.6 | 59% | 0.594 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61 | -45 | 177 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | S248 E249 L250 H254 V255 A256 | S248-V252 WeakPolarHBondContact O-CG2 3.47Å; S248-V252 PolarHBondContact O-N 3.34Å; E249-V252 PolarHBondContact O-N 3.36Å; L250-V252 PolarHBondContact O-N 3.29Å; V252-H254 VanDerWaalsContact C-N 3.33Å; V252-H254 PolarHBondContact O-N 3.3Å; V252-V255 PolarHBondContact O-N 3.17Å; V252-A256 WeakPolarHBondContact O-CB 3.33Å; V252-A256 PolarHBondContact O-N 3.38Å |
| 253 | R | 97.7 | Very high | 95.2 | Very high | 158 Ų | 158 | 91.1 Ų | 91.1 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.4 | -43 | 176 | -71.2 | -179.6 | -178.6 | -155.7 | 2 | 111.5 | E249 L250 H251 A256 I257 | E249-R253 WeakPolarHBondContact O-CG 3.34Å; E249-R253 PolarHBondContact O-N 2.92Å; E249-R253 IonicContact OE1-CZ 3.32Å; E249-R253 IonicContact OE1-NE 3.27Å; E249-R253 PolarHBondContact OE1-NE 3.44Å; E249-R253 IonicContact OE1-NH2 3.15Å; E249-R253 PolarHBondContact OE1-NH2 2.83Å; L250-R253 PolarHBondContact O-N 3.27Å; H251-R253 PolarHBondContact O-N 3.01Å; R253-A256 PolarHBondContact O-N 3.06Å; R253-I257 VanDerWaalsContact O-CG1 3.27Å; R253-I257 WeakPolarHBondContact O-CG1 3.46Å; R253-I257 PolarHBondContact O-N 3.23Å |
| 254 | H | 97.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 87.7 Ų | 87.7 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 177.6 | -177.5 | 70.9 | 0 | 0 | 0 | 111.3 | L250 H251 V252 A256 I257 E258 | L250-H254 WeakPolarHBondContact O-CB 3.24Å; L250-H254 PolarHBondContact O-N 2.95Å; H251-H254 WeakPolarHBondContact O-CB 3.23Å; H251-H254 PolarHBondContact O-N 3.05Å; V252-H254 VanDerWaalsContact C-N 3.33Å; V252-H254 PolarHBondContact O-N 3.3Å; H254-A256 VanDerWaalsContact C-N 3.34Å; H254-A256 PolarHBondContact O-N 3.36Å; H254-I257 PolarHBondContact O-N 3.22Å; H254-E258 IonicContact NE2-OE1 3.04Å; H254-E258 PolarHBondContact NE2-OE1 3.26Å; H254-E258 WeakPolarHBondContact O-CG 3.37Å; H254-E258 PolarHBondContact O-N 3.45Å |
| 255 | V | 97 | Very high | 93.3 | Very high | 53 Ų | 53 | 88.6 Ų | 88.6 | 32% | 0.321 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | H251 V252 I257 E258 Q259 | H251-V255 WeakPolarHBondContact O-CG2 3.27Å; H251-V255 PolarHBondContact O-N 2.93Å; V252-V255 PolarHBondContact O-N 3.17Å; V255-I257 VanDerWaalsContact C-N 3.33Å; V255-I257 PolarHBondContact O-N 3.41Å; V255-E258 PolarHBondContact O-N 3.23Å; V255-Q259 HydrophobicContact CG1-CG 4.31Å; V255-Q259 VanDerWaalsContact O-CG 3.3Å; V255-Q259 WeakPolarHBondContact O-CG 3.42Å; V255-Q259 PolarHBondContact O-N 3.32Å |
| 256 | A | 95.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 93.3 Ų | 93.3 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V252 R253 H254 Q259 L260 | V252-A256 WeakPolarHBondContact O-CB 3.33Å; V252-A256 PolarHBondContact O-N 3.38Å; R253-A256 PolarHBondContact O-N 3.06Å; H254-A256 VanDerWaalsContact C-N 3.34Å; H254-A256 PolarHBondContact O-N 3.36Å; A256-Q259 PolarHBondContact O-N 2.88Å; A256-L260 WeakPolarHBondContact O-CG 3.46Å; A256-L260 PolarHBondContact O-N 3.47Å |
| 257 | I | 93.2 | Very high | 91.4 | Very high | 88 Ų | 88 | 91.2 Ų | 91.2 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.8 | -69.4 | 165.5 | 0 | 0 | 0 | 110.9 | R253 H254 V255 Q259 L260 F261 | R253-I257 VanDerWaalsContact O-CG1 3.27Å; R253-I257 WeakPolarHBondContact O-CG1 3.46Å; R253-I257 PolarHBondContact O-N 3.23Å; H254-I257 PolarHBondContact O-N 3.22Å; V255-I257 VanDerWaalsContact C-N 3.33Å; V255-I257 PolarHBondContact O-N 3.41Å; I257-Q259 VanDerWaalsContact C-N 3.3Å; I257-Q259 PolarHBondContact O-N 2.95Å; I257-L260 WeakPolarHBondContact O-CB 3.46Å; I257-L260 PolarHBondContact O-N 3.43Å; I257-F261 HydrophobicContact CG2-CD2 3.62Å; I257-F261 HydrophobicContact CG2-CE2 3.42Å; I257-F261 VanDerWaalsContact CG2-CE2 3.42Å; I257-F261 VanDerWaalsContact O-CD2 3.23Å; I257-F261 WeakPolarHBondContact O-CD2 3.45Å; I257-F261 PolarHBondContact O-N 3.26Å |
| 258 | E | 94.2 | Very high | 89.9 | Confident | 74 Ų | 74 | 93.5 Ų | 93.5 | 35% | 0.346 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 176 | -73.2 | -162.9 | 156.9 | 0 | 0 | 112.3 | H254 V255 L260 F261 K262 | H254-E258 IonicContact NE2-OE1 3.04Å; H254-E258 PolarHBondContact NE2-OE1 3.26Å; H254-E258 WeakPolarHBondContact O-CG 3.37Å; H254-E258 PolarHBondContact O-N 3.45Å; V255-E258 PolarHBondContact O-N 3.23Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-F261 PolarHBondContact O-N 2.88Å; E258-K262 WeakPolarHBondContact O-CB 3.4Å; E258-K262 WeakPolarHBondContact O-CG 3.3Å; E258-K262 PolarHBondContact O-N 3.02Å; E258-K262 IonicContact OE2-NZ 3.88Å; E258-K262 PolarHBondContact OE2-NZ 3.1Å |
| 259 | Q | 93.1 | Very high | 88.5 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 177.6 | -66.8 | -55.6 | -27.4 | 0 | 0 | 111.6 | V255 A256 I257 K262 N263 | V255-Q259 HydrophobicContact CG1-CG 4.31Å; V255-Q259 VanDerWaalsContact O-CG 3.3Å; V255-Q259 WeakPolarHBondContact O-CG 3.42Å; V255-Q259 PolarHBondContact O-N 3.32Å; A256-Q259 PolarHBondContact O-N 2.88Å; I257-Q259 VanDerWaalsContact C-N 3.3Å; I257-Q259 PolarHBondContact O-N 2.95Å; Q259-K262 PolarHBondContact O-N 2.99Å; Q259-N263 WeakPolarHBondContact O-CB 3.46Å; Q259-N263 PolarHBondContact O-N 3.16Å; Q259-N263 PolarHBondContact O-ND2 3.09Å |
| 260 | L | 89 | Confident | 87.1 | Confident | 91 Ų | 91 | 96.7 Ų | 96.7 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 171.9 | -69.9 | 172.9 | 0 | 0 | 0 | 111.4 | A256 I257 E258 N263 C264 L270 | A256-L260 WeakPolarHBondContact O-CG 3.46Å; A256-L260 PolarHBondContact O-N 3.47Å; I257-L260 WeakPolarHBondContact O-CB 3.46Å; I257-L260 PolarHBondContact O-N 3.43Å; E258-L260 VanDerWaalsContact C-N 3.33Å; L260-N263 CarbonylContact O-C 3.51Å; L260-N263 PolarHBondContact O-N 2.94Å; L260-C264 WeakPolarHBondContact O-CA 3.48Å; L260-C264 WeakPolarHBondContact O-CB 3.34Å; L260-C264 PolarHBondContact O-N 2.74Å; L260-L270 HydrophobicContact CD2-CD1 4.4Å |
| 261 | F | 86.4 | Confident | 85.4 | Confident | 148 Ų | 148 | 95.4 Ų | 95.4 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 174.6 | -80.4 | -66 | 0 | 0 | 0 | 112.7 | I257 E258 N263 C264 | I257-F261 HydrophobicContact CG2-CD2 3.62Å; I257-F261 HydrophobicContact CG2-CE2 3.42Å; I257-F261 VanDerWaalsContact CG2-CE2 3.42Å; I257-F261 VanDerWaalsContact O-CD2 3.23Å; I257-F261 WeakPolarHBondContact O-CD2 3.45Å; I257-F261 PolarHBondContact O-N 3.26Å; E258-F261 PolarHBondContact O-N 2.88Å; F261-N263 VanDerWaalsContact C-N 3.26Å; F261-N263 PolarHBondContact O-N 2.9Å; F261-C264 PolarHBondContact O-N 3.34Å; F261-C264 PolarHBondContact O-SG 2.91Å |
| 262 | K | 88.4 | Confident | 83.7 | Confident | 122 Ų | 122 | 96.2 Ų | 96.2 | 53% | 0.53 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 176.6 | -74.1 | 167.7 | -176.2 | 159.3 | 0 | 112 | E258 Q259 | E258-K262 WeakPolarHBondContact O-CB 3.4Å; E258-K262 WeakPolarHBondContact O-CG 3.3Å; E258-K262 PolarHBondContact O-N 3.02Å; E258-K262 IonicContact OE2-NZ 3.88Å; E258-K262 PolarHBondContact OE2-NZ 3.1Å; Q259-K262 PolarHBondContact O-N 2.99Å |
| 263 | N | 85.5 | Confident | 81.7 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 28% | 0.278 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -96.9 | 3.5 | -179.4 | -65.9 | -62.3 | 0 | 0 | 0 | 114 | Q259 L260 F261 T265 K266 L267 | Q259-N263 WeakPolarHBondContact O-CB 3.46Å; Q259-N263 PolarHBondContact O-N 3.16Å; Q259-N263 PolarHBondContact O-ND2 3.09Å; L260-N263 CarbonylContact O-C 3.51Å; L260-N263 PolarHBondContact O-N 2.94Å; F261-N263 VanDerWaalsContact C-N 3.26Å; F261-N263 PolarHBondContact O-N 2.9Å; N263-T265 PolarHBondContact O-N 3.23Å; N263-K266 WeakPolarHBondContact O-CA 3.46Å; N263-K266 WeakPolarHBondContact O-CB 3.35Å; N263-K266 PolarHBondContact O-N 2.63Å; N263-L267 HydrophobicContact CB-CD1 4.38Å; N263-L267 PolarHBondContact O-N 3.05Å |
| 264 | C | 79.7 | Confident | 79.7 | Confident | 44 Ų | 44 | 100.5 Ų | 100.5 | 30% | 0.297 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -60 | -33.1 | -176.2 | 71.6 | 0 | 0 | 0 | 0 | 112.1 | L260 F261 K266 L267 H271 | L260-C264 WeakPolarHBondContact O-CA 3.48Å; L260-C264 WeakPolarHBondContact O-CB 3.34Å; L260-C264 PolarHBondContact O-N 2.74Å; F261-C264 PolarHBondContact O-N 3.34Å; F261-C264 PolarHBondContact O-SG 2.91Å; C264-K266 PolarHBondContact O-N 3.34Å; C264-L267 PolarHBondContact O-N 3.43Å; C264-H271 PolarHBondContact O-CD2 3.39Å; C264-H271 VanDerWaalsContact O-CD2 3.23Å; C264-H271 PolarHBondContact O-NE2 3.27Å |
| 265 | T | 76.8 | Confident | 77.6 | Confident | 108 Ų | 108 | 100.7 Ų | 100.7 | 66% | 0.663 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -67.5 | -23.1 | 175.1 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | N263 | N263-T265 PolarHBondContact O-N 3.23Š|
| 266 | K | 82.4 | Confident | 75.4 | Confident | 154 Ų | 154 | 101.1 Ų | 101.1 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -93.7 | -8.1 | 179.4 | -58.2 | 178.4 | -176.1 | 169.2 | 0 | 113.2 | N263 C264 P268 | N263-K266 WeakPolarHBondContact O-CA 3.46Å; N263-K266 WeakPolarHBondContact O-CB 3.35Å; N263-K266 PolarHBondContact O-N 2.63Å; C264-K266 PolarHBondContact O-N 3.34Å; K266-P268 WeakPolarHBondContact O-CD 3.07Å |
| 267 | L | 73.3 | Confident | 73.3 | Confident | 49 Ų | 49 | 105.3 Ų | 105.3 | 26% | 0.257 | 56% | 0.557 | S | S | . | * | trans | -119.1 | 91 | -176.8 | -67.8 | 169.9 | 0 | 0 | 0 | 109.8 | N263 C264 W269 L270 H271 | N263-L267 HydrophobicContact CB-CD1 4.38Å; N263-L267 PolarHBondContact O-N 3.05Å; C264-L267 PolarHBondContact O-N 3.43Å; L267-W269 HydrophobicContact CD1-CZ2 4.23Å; L267-W269 HydrophobicContact CD2-CZ2 4.11Å; L267-W269 PolarHBondContact O-N 3.32Å; L267-W269 VanDerWaalsContact O-N 3.13Å; L267-L270 HydrophobicContact CB-CB 4.41Å; L267-L270 HydrophobicContact CB-CD1 3.85Å; L267-L270 HydrophobicContact CB-CG 4.14Å; L267-L270 HydrophobicContact CD1-CD1 3.61Å; L267-L270 HydrophobicContact CG-CD1 4.4Å; L267-L270 PolarHBondContact O-N 2.89Å; L267-H271 PolarHBondContact O-CD2 2.94Å | ||
| 268 | P | 66.9 | Low | 70.9 | Confident | 101 Ų | 101 | 110.7 Ų | 110.7 | 66% | 0.656 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -58.9 | -29.8 | -172.6 | -23.8 | 32.5 | 0 | 0 | 0 | 114.2 | K266 L270 H271 | K266-P268 WeakPolarHBondContact O-CD 3.07Å; P268-L270 VanDerWaalsContact C-N 3.29Å; P268-L270 PolarHBondContact O-N 2.88Å; P268-H271 WeakPolarHBondContact O-CB 3.26Å; P268-H271 PolarHBondContact O-N 3.17Å |
| 269 | W | 69.4 | Low | 68.3 | Low | 157 Ų | 157 | 111.1 Ų | 111.1 | 60% | 0.595 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -75.8 | -11.7 | 179.5 | 56.1 | -93.2 | 0 | 0 | 0 | 113.6 | L267 H271 I272 | L267-W269 HydrophobicContact CD1-CZ2 4.23Å; L267-W269 HydrophobicContact CD2-CZ2 4.11Å; L267-W269 PolarHBondContact O-N 3.32Å; L267-W269 VanDerWaalsContact O-N 3.13Å; W269-H271 VanDerWaalsContact C-N 3.33Å; W269-I272 WeakPolarHBondContact O-CD1 3.48Å; W269-I272 VanDerWaalsContact O-CG1 3.26Å; W269-I272 WeakPolarHBondContact O-CG1 3.41Å |
| 270 | L | 67.1 | Low | 65.7 | Low | 66 Ų | 66 | 112.3 Ų | 112.3 | 35% | 0.346 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -83.9 | -6.8 | 170.4 | -70.6 | 176.9 | 0 | 0 | 0 | 112.8 | L260 L267 P268 I272 | L260-L270 HydrophobicContact CD2-CD1 4.4Å; L267-L270 HydrophobicContact CB-CB 4.41Å; L267-L270 HydrophobicContact CB-CD1 3.85Å; L267-L270 HydrophobicContact CB-CG 4.14Å; L267-L270 HydrophobicContact CD1-CD1 3.61Å; L267-L270 HydrophobicContact CG-CD1 4.4Å; L267-L270 PolarHBondContact O-N 2.89Å; P268-L270 VanDerWaalsContact C-N 3.29Å; P268-L270 PolarHBondContact O-N 2.88Å; L270-I272 VanDerWaalsContact C-N 3.27Å; L270-I272 PolarHBondContact O-N 2.97Å |
| 271 | H | 64.1 | Low | 63.5 | Low | 91 Ų | 91 | 114.6 Ų | 114.6 | 42% | 0.421 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -81.6 | -2.8 | -178.9 | -73.1 | -135.6 | 0 | 0 | 0 | 113.8 | C264 L267 P268 W269 S273 R274 | C264-H271 PolarHBondContact O-CD2 3.39Å; C264-H271 VanDerWaalsContact O-CD2 3.23Å; C264-H271 PolarHBondContact O-NE2 3.27Å; L267-H271 PolarHBondContact O-CD2 2.94Å; P268-H271 WeakPolarHBondContact O-CB 3.26Å; P268-H271 PolarHBondContact O-N 3.17Å; W269-H271 VanDerWaalsContact C-N 3.33Å; H271-S273 PolarHBondContact O-N 3.26Å; H271-S273 VanDerWaalsContact O-N 3.09Å; H271-R274 PolarHBondContact O-N 2.83Å |
| 272 | I | 60.7 | Low | 61.2 | Low | 134 Ų | 134 | 112.8 Ų | 112.8 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -61.6 | -25.4 | -169.2 | -59.8 | 171.4 | 0 | 0 | 0 | 112.1 | W269 L270 | W269-I272 WeakPolarHBondContact O-CD1 3.48Å; W269-I272 VanDerWaalsContact O-CG1 3.26Å; W269-I272 WeakPolarHBondContact O-CG1 3.41Å; L270-I272 VanDerWaalsContact C-N 3.27Å; L270-I272 PolarHBondContact O-N 2.97Å |
| 273 | S | 57.3 | Low | 58.6 | Low | 117 Ų | 117 | 110.4 Ų | 110.4 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -85 | -9.1 | 178.6 | -53.8 | 0 | 0 | 0 | 0 | 115.3 | H271 | H271-S273 PolarHBondContact O-N 3.26Å; H271-S273 VanDerWaalsContact O-N 3.09Å |
| 274 | R | 56.2 | Low | 56.4 | Low | 230 Ų | 230 | 113.1 Ų | 113.1 | 87% | 0.868 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -15.9 | -177.5 | -156.6 | 173.7 | -168.3 | 172.3 | 3.9 | 113.7 | H271 | H271-R274 PolarHBondContact O-N 2.83Š|
| 275 | A | 53 | Low | 54.4 | Low | 97 Ų | 97 | 115.5 Ų | 115.5 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -91.8 | 5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 276 | G | 51.5 | Low | 52.6 | Low | 63 Ų | 63 | 117 Ų | 117 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -123.9 | 26 | -165 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 277 | V | 50.3 | Low | 50.4 | Low | 138 Ų | 138 | 122.3 Ų | 122.3 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -139.9 | 71.4 | 166.6 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 278 | K | 42.6 | Very low | 49.2 | Very low | 201 Ų | 201 | 126 Ų | 126 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -113.7 | 85.9 | 160.4 | -154.2 | 174.9 | -174.7 | -179 | 0 | 106.3 | S280 | K278-S280 PolarHBondContact O-N 3.35Š| ||
| 279 | A | 41.4 | Very low | 48.3 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | trans | -61.4 | 105 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | T281 | A279-T281 VanDerWaalsContact C-N 3.28Å; A279-T281 PolarHBondContact O-N 3.41Å | ||
| 280 | S | 37 | Very low | 47.1 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -66.9 | 87.5 | 169.8 | 32.9 | 0 | 0 | 0 | 0 | 109.2 | K278 S282 | K278-S280 PolarHBondContact O-N 3.35Å; S280-S282 VanDerWaalsContact C-N 3.32Å; S280-S282 PolarHBondContact O-N 3.25Å | ||
| 281 | T | 42.4 | Very low | 46 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -82.5 | 82.7 | 156.4 | 27.8 | 0 | 0 | 0 | 0 | 107.6 | A279 G283 | A279-T281 VanDerWaalsContact C-N 3.28Å; A279-T281 PolarHBondContact O-N 3.41Å; T281-G283 PolarHBondContact O-N 3.42Å | ||
| 282 | S | 38.6 | Very low | 44.8 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -84.4 | 98.5 | 160.4 | 54.2 | 0 | 0 | 0 | 0 | 107.6 | S280 A284 | S280-S282 VanDerWaalsContact C-N 3.32Å; S280-S282 PolarHBondContact O-N 3.25Å; S282-A284 PolarHBondContact O-N 3.01Å | ||
| 283 | G | 35.3 | Very low | 43.8 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | -62.9 | 128.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T281 A285 | T281-G283 PolarHBondContact O-N 3.42Å; G283-A285 PolarHBondContact O-N 3.13Å | ||
| 284 | A | 38.2 | Very low | 42.8 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -67.1 | 112.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S282 | S282-A284 PolarHBondContact O-N 3.01Š| ||
| 285 | A | 38.7 | Very low | 41.8 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -109.5 | 109.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | G283 | G283-A285 PolarHBondContact O-N 3.13Š| ||
| 286 | V | 39 | Very low | 40.8 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | trans | 7.2 | 117.6 | 145.1 | -170.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 287 | E | 35.2 | Very low | 39.9 | Very low | 264 Ų | 264 | 133 Ų | 133 | 100% | 1.234 | 85% | 0.846 | S | S | * | * | -155.4 | 0 | 118.3 | -110 | -175.1 | 155.6 | 0 | 0 | 110 |
Retrieved 287 of 287 residues in 61.1 ms
(Link to these results)