| 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 | 34.2 | Very low | 33.2 | Very low | 243 Ų | 243 | 147 Ų | 147 | 100% | 1.197 | 80% | 0.802 | S | S | * | * | 0 | 139.6 | 0 | -102.6 | 165.9 | 70.5 | 0 | 0 | 108 | |||||
| 2 | L | 35.2 | Very low | 33.1 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | -41.2 | 152.3 | -174 | -75 | 75.7 | 0 | 0 | 0 | 116.6 | ||||
| 3 | F | 31.5 | Very low | 33.2 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | 166.9 | 105.6 | 105.2 | -95.9 | -84 | 0 | 0 | 0 | 108.2 | |||||
| 4 | F | 32.9 | Very low | 33.2 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | 79.7 | 125.2 | 92.1 | -110.3 | -82.3 | 0 | 0 | 0 | 115.9 | |||||
| 5 | C | 33.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -57 | 153.8 | 179.8 | -63 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 6 | L | 32.1 | Very low | 32.9 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | -149.7 | 116.3 | 128.1 | -128.1 | 105.5 | 0 | 0 | 0 | 109.3 | |||||
| 7 | A | 33.3 | Very low | 32.8 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -85.7 | 124.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 8 | L | 31.3 | Very low | 32.7 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -98.7 | 112.4 | 165.3 | -118.9 | 105.7 | 0 | 0 | 0 | 107.9 | I10 | L8-I10 HydrophobicContact CD2-CD1 4.35Å; L8-I10 HydrophobicContact CD2-CG1 4.23Å | ||
| 9 | I | 35.6 | Very low | 32.7 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -83.5 | 109.6 | 168 | -63.8 | 173.4 | 0 | 0 | 0 | 106.5 | ||||
| 10 | I | 35.4 | Very low | 32.6 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | -102.2 | 106 | 164 | -61.8 | 176.8 | 0 | 0 | 0 | 105.9 | L8 C12 | L8-I10 HydrophobicContact CD2-CD1 4.35Å; L8-I10 HydrophobicContact CD2-CG1 4.23Å; I10-C12 PolarHBondContact O-N 3.36Å | ||
| 11 | G | 30.1 | Very low | 32.5 | Very low | 65 Ų | 65 | 145.6 Ų | 145.6 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | -70.6 | 115.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A13 | G11-A13 PolarHBondContact O-N 3.22Š| ||
| 12 | C | 31.6 | Very low | 32.4 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -71.6 | 105.3 | 163 | -75.8 | 0 | 0 | 0 | 0 | 108.1 | I10 V14 | I10-C12 PolarHBondContact O-N 3.36Å; C12-V14 PolarHBondContact O-N 3.15Å; C12-V14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | A | 34.5 | Very low | 32.6 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -68.9 | 103.6 | 161 | 0 | 0 | 0 | 0 | 0 | 107.5 | G11 G15 | G11-A13 PolarHBondContact O-N 3.22Å; A13-G15 PolarHBondContact O-N 3.17Å; A13-G15 VanDerWaalsContact O-N 3.17Å | ||
| 14 | V | 33.7 | Very low | 33.1 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 102.9 | 164.9 | -177.4 | 0 | 0 | 0 | 0 | 105.5 | C12 E16 | C12-V14 PolarHBondContact O-N 3.15Å; C12-V14 VanDerWaalsContact O-N 3.15Å; V14-E16 PolarHBondContact O-N 3.21Å | ||
| 15 | G | 30.8 | Very low | 34 | Very low | 56 Ų | 56 | 134.9 Ų | 134.9 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | trans | -63.6 | 115.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | A13 Y17 | A13-G15 PolarHBondContact O-N 3.17Å; A13-G15 VanDerWaalsContact O-N 3.17Å; G15-Y17 PolarHBondContact O-N 3Å | ||
| 16 | E | 30 | Very low | 35.5 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | trans | -59.4 | 104.6 | 163.2 | -77.9 | 176.7 | 154 | 0 | 0 | 107.3 | V14 S18 | V14-E16 PolarHBondContact O-N 3.21Å; E16-S18 VanDerWaalsContact C-N 3.31Å; E16-S18 PolarHBondContact O-N 2.96Å | ||
| 17 | Y | 31.7 | Very low | 38 | Very low | 229 Ų | 229 | 129.5 Ų | 129.5 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | trans | -63.3 | 102.3 | 158.3 | -84.4 | -92.7 | 0 | 0 | 0 | 105.9 | G15 E19 | G15-Y17 PolarHBondContact O-N 3Å; Y17-E19 PolarHBondContact O-N 3.01Å | ||
| 18 | S | 31.6 | Very low | 40.5 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | -58.3 | 106.2 | 161.5 | 57.6 | 0 | 0 | 0 | 0 | 106.3 | E16 V20 | E16-S18 VanDerWaalsContact C-N 3.31Å; E16-S18 PolarHBondContact O-N 2.96Å; S18-V20 PolarHBondContact O-N 2.84Å | ||
| 19 | E | 31.6 | Very low | 43.3 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 83% | 0.827 | 67% | 0.674 | S | S | * | * | trans | -51.8 | 109.8 | 161.5 | -79.1 | -176.3 | 157.9 | 0 | 0 | 106.2 | Y17 R21 | Y17-E19 PolarHBondContact O-N 3.01Å; E19-R21 PolarHBondContact O-N 2.92Å | ||
| 20 | V | 31.6 | Very low | 46.1 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 75% | 0.745 | 64% | 0.642 | S | S | * | * | trans | -61.1 | 99.4 | 163.4 | 177.2 | 0 | 0 | 0 | 0 | 104.2 | S18 V22 | S18-V20 PolarHBondContact O-N 2.84Å; V20-V22 HydrophobicContact CG1-CG2 4.44Å; V20-V22 PolarHBondContact O-N 2.83Å | ||
| 21 | R | 30.4 | Very low | 48.6 | Very low | 216 Ų | 216 | 118 Ų | 118 | 82% | 0.815 | 64% | 0.639 | S | S | * | * | trans | -60 | 95.8 | 162.5 | -81.4 | -174.6 | 175.1 | -175.2 | -1.9 | 105.7 | E19 I23 | E19-R21 PolarHBondContact O-N 2.92Å; R21-I23 HydrophobicContact CB-CG1 4.33Å; R21-I23 PolarHBondContact O-N 2.93Å | ||
| 22 | V | 32.8 | Very low | 51.5 | Low | 118 Ų | 118 | 119.3 Ų | 119.3 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | trans | -63.9 | 93.1 | 153.5 | -179.3 | 0 | 0 | 0 | 0 | 103.5 | V20 Q24 | V20-V22 HydrophobicContact CG1-CG2 4.44Å; V20-V22 PolarHBondContact O-N 2.83Å; V22-Q24 PolarHBondContact O-N 2.94Å | ||
| 23 | I | 37.6 | Very low | 54.5 | Low | 125 Ų | 125 | 115.5 Ų | 115.5 | 64% | 0.641 | 61% | 0.611 | S | S | * | * | trans | -67.1 | 96.5 | 163.3 | -53.3 | 178.7 | 0 | 0 | 0 | 103.1 | R21 E25 | R21-I23 HydrophobicContact CB-CG1 4.33Å; R21-I23 PolarHBondContact O-N 2.93Å; I23-E25 HydrophobicContact CB-CG 4.46Å; I23-E25 HydrophobicContact CG2-CG 3.63Å; I23-E25 PolarHBondContact O-N 2.99Å | ||
| 24 | Q | 42.7 | Very low | 57.5 | Low | 165 Ų | 165 | 115 Ų | 115 | 77% | 0.771 | 59% | 0.591 | S | S | * | * | trans | -66.9 | 89.6 | 162.2 | -131.5 | 174.3 | -15.1 | 0 | 0 | 103.4 | V22 E26 | V22-Q24 PolarHBondContact O-N 2.94Å; Q24-E26 VanDerWaalsContact C-N 3.34Å; Q24-E26 PolarHBondContact O-N 2.91Å | ||
| 25 | E | 52.3 | Low | 60.6 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | trans | -65.8 | 104.6 | 170.6 | -73.7 | -176.1 | 158 | 0 | 0 | 105.7 | I23 | I23-E25 HydrophobicContact CB-CG 4.46Å; I23-E25 HydrophobicContact CG2-CG 3.63Å; I23-E25 PolarHBondContact O-N 2.99Å | ||
| 26 | E | 64.8 | Low | 63.8 | Low | 130 Ų | 130 | 107.8 Ų | 107.8 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | trans | -65.2 | 140.7 | 179.8 | -70 | 178.4 | 151.6 | 0 | 0 | 108.1 | Q24 N28 | Q24-E26 VanDerWaalsContact C-N 3.34Å; Q24-E26 PolarHBondContact O-N 2.91Å; E26-N28 WeakPolarHBondContact CB-OD1 3.45Å; E26-N28 PolarHBondContact O-N 3.19Å; E26-N28 PolarHBondContact O-OD1 2.88Å | ||
| 27 | D | 84 | Confident | 67 | Low | 34 Ų | 34 | 105 Ų | 105 | 18% | 0.182 | 52% | 0.519 | C | S | . | . | trans | -65.3 | 71 | 173 | -81.9 | -19.8 | 0 | 0 | 0 | 108 | F29 L30 Y115 H119 W319 K323 | D27-F29 HydrophobicContact CB-CE1 3.92Å; D27-F29 HydrophobicContact CB-CE2 3.92Å; D27-F29 HydrophobicContact CB-CZ 3.55Å; D27-F29 VanDerWaalsContact CG-CZ 3.4Å; D27-F29 PolarHBondContact O-N 3.09Å; D27-F29 VanDerWaalsContact O-N 3.07Å; D27-F29 WeakPolarHBondContact OD1-CZ 3.43Å; D27-L30 HydrophobicContact CB-CD1 3.57Å; D27-L30 HydrophobicContact CB-CG 3.98Å; D27-L30 VanDerWaalsContact O-CB 3.27Å; D27-L30 WeakPolarHBondContact O-CB 3.48Å; D27-L30 WeakPolarHBondContact O-CG 3.36Å; D27-L30 PolarHBondContact O-N 3.01Å; D27-Y115 WeakPolarHBondContact OD1-CD2 3.38Å; D27-H119 IonicContact OD1-CE1 3.23Å; D27-H119 PolarHBondContact OD1-CE1 2.73Å; D27-H119 VanDerWaalsContact OD1-CE1 3.23Å; D27-H119 IonicContact OD1-NE2 3.51Å; D27-W319 PolarHBondContact OD2-NE1 3.19Å; D27-W319 VanDerWaalsContact OD2-NE1 3.09Å; D27-K323 IonicContact OD1-NZ 3.58Å; D27-K323 IonicContact OD2-NZ 2.88Å; D27-K323 PolarHBondContact OD2-NZ 2.72Å | ||
| 28 | N | 86.8 | Confident | 70.2 | Confident | 97 Ų | 97 | 94.5 Ų | 94.5 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -59.7 | -25.7 | -168.5 | -70.5 | -18.4 | 0 | 0 | 0 | 112.8 | E26 L30 E31 | E26-N28 WeakPolarHBondContact CB-OD1 3.45Å; E26-N28 PolarHBondContact O-N 3.19Å; E26-N28 PolarHBondContact O-OD1 2.88Å; N28-L30 PolarHBondContact O-N 2.9Å; N28-E31 PolarHBondContact O-N 2.69Å; N28-E31 VanDerWaalsContact O-N 3.1Å |
| 29 | F | 90.5 | Very high | 73.4 | Confident | 29 Ų | 29 | 94.6 Ų | 94.6 | 13% | 0.127 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -61.2 | -7.9 | 172.9 | 54.3 | -101.6 | 0 | 0 | 0 | 113.6 | D27 Y111 E114 Y115 W319 | D27-F29 HydrophobicContact CB-CE1 3.92Å; D27-F29 HydrophobicContact CB-CE2 3.92Å; D27-F29 HydrophobicContact CB-CZ 3.55Å; D27-F29 VanDerWaalsContact CG-CZ 3.4Å; D27-F29 PolarHBondContact O-N 3.09Å; D27-F29 VanDerWaalsContact O-N 3.07Å; D27-F29 WeakPolarHBondContact OD1-CZ 3.43Å; F29-Y111 HydrophobicContact CB-CD1 4.12Å; F29-Y111 HydrophobicContact CB-CE1 4.2Å; F29-Y111 AromaticContact CD2-CD1 3.42Å; F29-Y111 HydrophobicContact CD2-CD1 3.42Å; F29-Y111 VanDerWaalsContact CD2-CD1 3.42Å; F29-Y111 HydrophobicContact CD2-CD2 4.49Å; F29-Y111 AromaticContact CD2-CE1 3.89Å; F29-Y111 HydrophobicContact CD2-CE1 3.89Å; F29-Y111 AromaticContact CD2-CG 3.76Å; F29-Y111 HydrophobicContact CD2-CG 3.76Å; F29-Y111 HydrophobicContact CE2-CD1 4.17Å; F29-Y111 HydrophobicContact CE2-CG 4.05Å; F29-Y111 HydrophobicContact CG-CD1 4.07Å; F29-Y111 HydrophobicContact CG-CE1 4.5Å; F29-Y111 VanDerWaalsContact O-CE1 3.29Å; F29-Y111 WeakPolarHBondContact O-CE1 3.03Å; F29-E114 WeakPolarHBondContact CB-OE2 3.06Å; F29-E114 HydrophobicContact CD1-CB 3.91Å; F29-E114 HydrophobicContact CE1-CB 4.4Å; F29-E114 HydrophobicContact CG-CB 4.36Å; F29-Y115 HydrophobicContact CZ-CD2 4.36Å; F29-W319 HydrophobicContact CE2-CD2 4.34Å; F29-W319 AromaticContact CE2-CE2 3.84Å; F29-W319 HydrophobicContact CE2-CZ2 4.15Å; F29-W319 AromaticContact CE2-NE1 3.75Å; F29-W319 AromaticContact CZ-CZ2 3.94Å; F29-W319 HydrophobicContact CZ-CZ2 3.94Å; F29-W319 AromaticContact CZ-NE1 3.99Å |
| 30 | L | 92.8 | Very high | 76.5 | Confident | 35 Ų | 35 | 89.6 Ų | 89.6 | 18% | 0.183 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -98.9 | -11.6 | 175.8 | -55.6 | 177.2 | 0 | 0 | 0 | 114.6 | D27 N28 S32 P33 Y111 P316 W319 | D27-L30 HydrophobicContact CB-CD1 3.57Å; D27-L30 HydrophobicContact CB-CG 3.98Å; D27-L30 VanDerWaalsContact O-CB 3.27Å; D27-L30 WeakPolarHBondContact O-CB 3.48Å; D27-L30 WeakPolarHBondContact O-CG 3.36Å; D27-L30 PolarHBondContact O-N 3.01Å; N28-L30 PolarHBondContact O-N 2.9Å; L30-S32 VanDerWaalsContact C-N 3.32Å; L30-S32 PolarHBondContact O-N 3.07Å; L30-P33 WeakPolarHBondContact O-CD 3.27Å; L30-Y111 HydrophobicContact CD2-CD2 4.08Å; L30-Y111 HydrophobicContact CD2-CE1 4.49Å; L30-Y111 HydrophobicContact CD2-CE2 3.78Å; L30-P316 HydrophobicContact CD2-CB 4.46Å; L30-W319 VanDerWaalsContact CD1-CD1 3.49Å; L30-W319 HydrophobicContact CD1-CG 4.43Å; L30-W319 HydrophobicContact CD2-CB 4.08Å; L30-W319 HydrophobicContact CD2-CG 4.04Å |
| 31 | E | 88.2 | Confident | 79.7 | Confident | 134 Ų | 134 | 83.7 Ų | 83.7 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -69 | -28.4 | -171 | -69.1 | -170.9 | 151.1 | 0 | 0 | 113.8 | N28 | N28-E31 PolarHBondContact O-N 2.69Å; N28-E31 VanDerWaalsContact O-N 3.1Å |
| 32 | S | 91.8 | Very high | 83 | Confident | 91 Ų | 91 | 73.6 Ų | 73.6 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -135.2 | 75 | 177 | -71.5 | 0 | 0 | 0 | 0 | 109.4 | L30 H34 | L30-S32 VanDerWaalsContact C-N 3.32Å; L30-S32 PolarHBondContact O-N 3.07Å; S32-H34 PolarHBondContact O-N 3.1Å; S32-H34 PolarHBondContact O-ND1 3.44Å |
| 33 | P | 94.9 | Very high | 86.1 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 25% | 0.247 | 37% | 0.365 | C | S | . | . | trans | -67.9 | 126.1 | -171.6 | 29.7 | -34.8 | 0 | 0 | 0 | 110 | L30 A312 L315 P316 | L30-P33 WeakPolarHBondContact O-CD 3.27Å; P33-A312 WeakPolarHBondContact CB-O 3.36Å; P33-A312 VanDerWaalsContact O-CB 3.29Å; P33-A312 WeakPolarHBondContact O-CB 3.36Å; P33-L315 HydrophobicContact CB-CB 4.14Å; P33-L315 HydrophobicContact CB-CD1 4.27Å; P33-P316 HydrophobicContact CB-CG 3.99Å; P33-P316 HydrophobicContact CG-CG 3.96Å | ||
| 34 | H | 97.1 | Very high | 89 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | trans | -152 | 157 | 175.5 | 62.3 | -72.1 | 0 | 0 | 0 | 108.5 | S32 L36 Q107 | S32-H34 PolarHBondContact O-N 3.1Å; S32-H34 PolarHBondContact O-ND1 3.44Å; H34-L36 WeakPolarHBondContact NE2-CD2 3.33Å; H34-Q107 PolarHBondContact O-OE1 3.38Å | ||
| 35 | Y | 98.6 | Very high | 91.7 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 7% | 0.071 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 123.3 | 174.5 | -66.9 | -86.1 | 0 | 0 | 0 | 110.2 | K37 A103 Q107 E151 Y309 P310 A312 L315 | Y35-K37 PolarHBondContact O-N 3.11Å; Y35-A103 HydrophobicContact CD1-CB 4.06Å; Y35-A103 HydrophobicContact CE1-CB 3.63Å; Y35-Q107 HydrophobicContact CD1-CB 4.42Å; Y35-E151 HydrophobicContact CD2-CG 4.36Å; Y35-E151 HydrophobicContact CE2-CG 4.14Å; Y35-Y309 HydrophobicContact CD1-CE1 4.11Å; Y35-Y309 HydrophobicContact CD2-CD1 4.43Å; Y35-Y309 AromaticContact CD2-CE1 3.56Å; Y35-Y309 HydrophobicContact CD2-CE1 3.56Å; Y35-Y309 HydrophobicContact CE1-CD1 4.4Å; Y35-Y309 HydrophobicContact CE1-CE1 4.06Å; Y35-Y309 AromaticContact CE2-CD1 3.94Å; Y35-Y309 HydrophobicContact CE2-CD1 3.94Å; Y35-Y309 AromaticContact CE2-CE1 3.51Å; Y35-Y309 HydrophobicContact CE2-CE1 3.51Å; Y35-Y309 AromaticContact CG-CE1 3.84Å; Y35-Y309 HydrophobicContact CG-CE1 3.84Å; Y35-Y309 AromaticContact CZ-CD1 3.9Å; Y35-Y309 AromaticContact CZ-CE1 3.75Å; Y35-P310 VanDerWaalsContact CE2-O 3.23Å; Y35-P310 WeakPolarHBondContact CE2-O 3.26Å; Y35-P310 WeakPolarHBondContact OH-CD 3.5Å; Y35-P310 WeakPolarHBondContact OH-CG 3.33Å; Y35-P310 PolarHBondContact OH-O 2.67Å; Y35-A312 HydrophobicContact CD2-CB 4.05Å; Y35-A312 HydrophobicContact CE2-CB 4.05Å; Y35-L315 HydrophobicContact CD1-CD1 4.37Å; Y35-L315 HydrophobicContact CD1-CD2 4.47Å; Y35-L315 HydrophobicContact CD2-CD1 4.33Å; Y35-L315 HydrophobicContact CE1-CD1 4.22Å; Y35-L315 HydrophobicContact CE1-CD2 3.7Å; Y35-L315 HydrophobicContact CE1-CG 4.38Å; Y35-L315 HydrophobicContact CE2-CD1 4.18Å; Y35-L315 HydrophobicContact CG-CD1 4.44Å |
| 36 | L | 98.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 130.5 | 177.7 | -60.1 | -164.7 | 0 | 0 | 0 | 111.6 | H34 E40 I41 L44 R106 L110 | H34-L36 WeakPolarHBondContact NE2-CD2 3.33Å; L36-E40 HydrophobicContact CB-CB 4.06Å; L36-E40 HydrophobicContact CD2-CB 4.21Å; L36-E40 HydrophobicContact CG-CB 4.49Å; L36-I41 HydrophobicContact CB-CG1 3.79Å; L36-I41 HydrophobicContact CD1-CG1 4.39Å; L36-L44 HydrophobicContact CD1-CB 4.28Å; L36-L44 HydrophobicContact CD1-CD2 3.68Å; L36-R106 VanDerWaalsContact O-CZ 3.3Å; L36-R106 PolarHBondContact O-NE 2.83Å; L36-R106 PolarHBondContact O-NH2 3.12Å; L36-L110 HydrophobicContact CB-CD1 4.07Å; L36-L110 HydrophobicContact CD1-CD1 3.98Å; L36-L110 HydrophobicContact CG-CD1 4.08Å |
| 37 | K | 97.7 | Very high | 95.5 | Very high | 132 Ų | 132 | 56.5 Ų | 56.5 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 169.7 | 165.6 | -62.9 | 173.6 | -176 | 168.5 | 0 | 110.6 | Y35 E39 E40 I41 | Y35-K37 PolarHBondContact O-N 3.11Å; K37-E39 VanDerWaalsContact C-N 3.32Å; K37-E39 PolarHBondContact O-N 3.2Å; K37-E40 HydrophobicContact CB-CG 4.42Å; K37-E40 VanDerWaalsContact CB-OE2 3.23Å; K37-E40 WeakPolarHBondContact CB-OE2 3.21Å; K37-E40 WeakPolarHBondContact CG-OE2 3.4Å; K37-E40 PolarHBondContact N-OE2 2.8Å; K37-E40 PolarHBondContact O-N 3.37Å; K37-I41 WeakPolarHBondContact O-CG1 3.26Å; K37-I41 PolarHBondContact O-N 3.26Å; K37-I41 VanDerWaalsContact O-N 3.08Å |
| 38 | N | 98.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | -173.4 | -159.6 | 65.7 | 0 | 0 | 0 | 112.7 | I41 G42 P69 Y71 P143 | N38-I41 PolarHBondContact O-N 2.72Å; N38-G42 PolarHBondContact O-N 3.24Å; N38-P69 PolarHBondContact ND2-O 3.12Å; N38-Y71 VanDerWaalsContact O-CE2 3.3Å; N38-Y71 WeakPolarHBondContact O-CE2 3.46Å; N38-P143 HydrophobicContact CB-CB 4.37Å; N38-P143 WeakPolarHBondContact OD1-CB 3.11Å |
| 39 | E | 97.9 | Very high | 96.7 | Very high | 103 Ų | 103 | 51.7 Ų | 51.7 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 177.3 | -59 | 77.5 | -166.1 | 0 | 0 | 111.2 | K37 I41 G42 D43 R68 | K37-E39 VanDerWaalsContact C-N 3.32Å; K37-E39 PolarHBondContact O-N 3.2Å; E39-I41 VanDerWaalsContact C-N 3.3Å; E39-I41 PolarHBondContact O-N 3.48Å; E39-G42 WeakPolarHBondContact O-CA 3.36Å; E39-G42 PolarHBondContact O-N 2.87Å; E39-D43 PolarHBondContact O-N 3.09Å; E39-R68 IonicContact OE1-NH1 3.28Å |
| 40 | E | 98.6 | Very high | 97.1 | Very high | 71 Ų | 71 | 57.5 Ų | 57.5 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -32.6 | 178.8 | -64.6 | 169.3 | 138.7 | 0 | 0 | 112.2 | L36 K37 D43 L44 | L36-E40 HydrophobicContact CB-CB 4.06Å; L36-E40 HydrophobicContact CD2-CB 4.21Å; L36-E40 HydrophobicContact CG-CB 4.49Å; K37-E40 HydrophobicContact CB-CG 4.42Å; K37-E40 VanDerWaalsContact CB-OE2 3.23Å; K37-E40 WeakPolarHBondContact CB-OE2 3.21Å; K37-E40 WeakPolarHBondContact CG-OE2 3.4Å; K37-E40 PolarHBondContact N-OE2 2.8Å; K37-E40 PolarHBondContact O-N 3.37Å; E40-D43 PolarHBondContact O-N 3.36Å; E40-L44 WeakPolarHBondContact O-CB 3.48Å; E40-L44 PolarHBondContact O-N 3.04Å |
| 41 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 170.7 | -68.2 | 179 | 0 | 0 | 0 | 110.8 | L36 K37 N38 E39 D43 L44 F45 Y71 L110 P139 T140 | L36-I41 HydrophobicContact CB-CG1 3.79Å; L36-I41 HydrophobicContact CD1-CG1 4.39Å; K37-I41 WeakPolarHBondContact O-CG1 3.26Å; K37-I41 PolarHBondContact O-N 3.26Å; K37-I41 VanDerWaalsContact O-N 3.08Å; N38-I41 PolarHBondContact O-N 2.72Å; E39-I41 VanDerWaalsContact C-N 3.3Å; E39-I41 PolarHBondContact O-N 3.48Å; I41-D43 VanDerWaalsContact C-N 3.33Å; I41-D43 PolarHBondContact O-N 3.14Å; I41-L44 PolarHBondContact O-N 3.25Å; I41-F45 HydrophobicContact CG2-CD2 4.2Å; I41-F45 HydrophobicContact CG2-CE2 4.07Å; I41-F45 HydrophobicContact CG2-CZ 4.35Å; I41-F45 PolarHBondContact O-N 2.99Å; I41-Y71 HydrophobicContact CG2-CD2 4.31Å; I41-Y71 HydrophobicContact CG2-CG 4.45Å; I41-L110 HydrophobicContact CD1-CD1 4.08Å; I41-L110 HydrophobicContact CD1-CD2 4.41Å; I41-L110 HydrophobicContact CG1-CD1 3.97Å; I41-L110 HydrophobicContact CG1-CD2 4.06Å; I41-L110 HydrophobicContact CG2-CD2 4.14Å; I41-P139 HydrophobicContact CD1-CB 4.23Å; I41-P139 HydrophobicContact CD1-CG 3.91Å; I41-P139 HydrophobicContact CG2-CG 3.71Å; I41-T140 HydrophobicContact CD1-CG2 3.99Å |
| 42 | G | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N38 E39 S46 | N38-G42 PolarHBondContact O-N 3.24Å; E39-G42 WeakPolarHBondContact O-CA 3.36Å; E39-G42 PolarHBondContact O-N 2.87Å; G42-S46 VanDerWaalsContact O-CB 3.32Å; G42-S46 WeakPolarHBondContact O-CB 3.29Å; G42-S46 PolarHBondContact O-N 3Å; G42-S46 PolarHBondContact O-OG 3.23Å |
| 43 | D | 98.7 | Very high | 98 | Very high | 111 Ų | 111 | 56.2 Ų | 56.2 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.3 | -46.9 | 176.5 | -69.2 | -22.9 | 0 | 0 | 0 | 111.4 | E39 E40 I41 S46 Q47 | E39-D43 PolarHBondContact O-N 3.09Å; E40-D43 PolarHBondContact O-N 3.36Å; I41-D43 VanDerWaalsContact C-N 3.33Å; I41-D43 PolarHBondContact O-N 3.14Å; D43-S46 PolarHBondContact O-N 3.08Å; D43-Q47 WeakPolarHBondContact O-CB 3.39Å; D43-Q47 PolarHBondContact O-N 3.2Å |
| 44 | L | 98.6 | Very high | 97.9 | Very high | 28 Ų | 28 | 60.4 Ų | 60.4 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 177.3 | 174.6 | 61.1 | 0 | 0 | 0 | 111.8 | L36 E40 I41 S46 Q47 L48 L110 E114 | L36-L44 HydrophobicContact CD1-CB 4.28Å; L36-L44 HydrophobicContact CD1-CD2 3.68Å; E40-L44 WeakPolarHBondContact O-CB 3.48Å; E40-L44 PolarHBondContact O-N 3.04Å; I41-L44 PolarHBondContact O-N 3.25Å; L44-S46 VanDerWaalsContact C-N 3.3Å; L44-S46 PolarHBondContact O-N 3.34Å; L44-Q47 WeakPolarHBondContact O-CB 3.42Å; L44-Q47 PolarHBondContact O-N 2.94Å; L44-Q47 VanDerWaalsContact O-N 3.15Å; L44-L48 HydrophobicContact CD1-CD1 4.31Å; L44-L48 HydrophobicContact CD1-CG 4.18Å; L44-L48 HydrophobicContact CG-CD1 4.31Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.73Å; L44-L110 HydrophobicContact CD2-CD2 4.11Å; L44-E114 HydrophobicContact CD1-CG 3.95Å; L44-E114 HydrophobicContact CD2-CG 4Å; L44-E114 WeakPolarHBondContact CD2-OE1 3.49Å; L44-E114 HydrophobicContact CG-CG 4.41Å |
| 45 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 179.9 | -74.9 | -2 | 0 | 0 | 0 | 112.5 | I41 Q47 L48 A49 L73 L110 A113 F137 P139 | I41-F45 HydrophobicContact CG2-CD2 4.2Å; I41-F45 HydrophobicContact CG2-CE2 4.07Å; I41-F45 HydrophobicContact CG2-CZ 4.35Å; I41-F45 PolarHBondContact O-N 2.99Å; F45-Q47 VanDerWaalsContact C-N 3.34Å; F45-L48 HydrophobicContact CD1-CD1 4.39Å; F45-A49 WeakPolarHBondContact O-CB 3.25Å; F45-A49 PolarHBondContact O-N 2.67Å; F45-L73 HydrophobicContact CB-CD1 4.16Å; F45-L73 HydrophobicContact CD1-CB 4Å; F45-L73 HydrophobicContact CD1-CD2 4.09Å; F45-L73 HydrophobicContact CD1-CG 4.45Å; F45-L73 HydrophobicContact CD2-CB 3.79Å; F45-L73 HydrophobicContact CE1-CB 3.96Å; F45-L73 HydrophobicContact CE1-CD2 4.22Å; F45-L73 HydrophobicContact CE2-CB 3.78Å; F45-L73 HydrophobicContact CG-CB 3.91Å; F45-L73 HydrophobicContact CG-CD1 4.27Å; F45-L73 HydrophobicContact CZ-CB 3.85Å; F45-L110 HydrophobicContact CE1-CD2 3.7Å; F45-L110 HydrophobicContact CZ-CD2 3.91Å; F45-A113 HydrophobicContact CE1-CB 4.39Å; F45-F137 HydrophobicContact CZ-CB 4.36Å; F45-P139 HydrophobicContact CE2-CG 4.05Å; F45-P139 HydrophobicContact CZ-CG 3.81Å |
| 46 | S | 98.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 173.1 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | G42 D43 L44 K50 | G42-S46 VanDerWaalsContact O-CB 3.32Å; G42-S46 WeakPolarHBondContact O-CB 3.29Å; G42-S46 PolarHBondContact O-N 3Å; G42-S46 PolarHBondContact O-OG 3.23Å; D43-S46 PolarHBondContact O-N 3.08Å; L44-S46 VanDerWaalsContact C-N 3.3Å; L44-S46 PolarHBondContact O-N 3.34Å; S46-K50 WeakPolarHBondContact O-CB 3.48Å; S46-K50 PolarHBondContact O-N 3.05Å; S46-K50 VanDerWaalsContact O-N 3.08Å |
| 47 | Q | 98.5 | Very high | 97.8 | Very high | 83 Ų | 83 | 61.9 Ų | 61.9 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 176.8 | -172.3 | 57.8 | 42.4 | 0 | 0 | 111.3 | D43 L44 F45 A49 K50 D51 | D43-Q47 WeakPolarHBondContact O-CB 3.39Å; D43-Q47 PolarHBondContact O-N 3.2Å; L44-Q47 WeakPolarHBondContact O-CB 3.42Å; L44-Q47 PolarHBondContact O-N 2.94Å; L44-Q47 VanDerWaalsContact O-N 3.15Å; F45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-A49 PolarHBondContact O-N 2.96Å; Q47-K50 WeakPolarHBondContact O-CB 3.45Å; Q47-K50 PolarHBondContact O-N 2.79Å; Q47-D51 PolarHBondContact NE2-OD1 3.32Å; Q47-D51 PolarHBondContact NE2-OD2 3.47Å; Q47-D51 PolarHBondContact O-N 2.91Å |
| 48 | L | 98.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 174.9 | -70.5 | 176.7 | 0 | 0 | 0 | 112.2 | L44 F45 K50 D51 Y52 L73 E114 A117 | L44-L48 HydrophobicContact CD1-CD1 4.31Å; L44-L48 HydrophobicContact CD1-CG 4.18Å; L44-L48 HydrophobicContact CG-CD1 4.31Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.73Å; F45-L48 HydrophobicContact CD1-CD1 4.39Å; L48-K50 PolarHBondContact O-N 3.39Å; L48-D51 PolarHBondContact O-N 2.95Å; L48-Y52 HydrophobicContact CD2-CD2 4.21Å; L48-Y52 HydrophobicContact CD2-CE2 4.11Å; L48-Y52 PolarHBondContact O-N 3.04Å; L48-L73 HydrophobicContact CB-CD2 4.39Å; L48-L73 HydrophobicContact CD1-CD2 3.73Å; L48-E114 HydrophobicContact CD1-CG 4.11Å; L48-A117 HydrophobicContact CD2-CB 4.03Å |
| 49 | A | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 60 Ų | 60 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -27.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F45 Q47 P53 T58 | F45-A49 WeakPolarHBondContact O-CB 3.25Å; F45-A49 PolarHBondContact O-N 2.67Å; Q47-A49 PolarHBondContact O-N 2.96Å; A49-P53 VanDerWaalsContact O-CA 3.29Å; A49-P53 WeakPolarHBondContact O-CA 3.46Å; A49-T58 HydrophobicContact CB-CG2 3.97Å |
| 50 | K | 98.3 | Very high | 97.9 | Very high | 151 Ų | 151 | 58.8 Ų | 58.8 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -79.8 | -41.2 | 176.4 | 179.4 | -175.5 | 170.8 | -168.6 | 0 | 112.3 | S46 Q47 L48 | S46-K50 WeakPolarHBondContact O-CB 3.48Å; S46-K50 PolarHBondContact O-N 3.05Å; S46-K50 VanDerWaalsContact O-N 3.08Å; Q47-K50 WeakPolarHBondContact O-CB 3.45Å; Q47-K50 PolarHBondContact O-N 2.79Å; L48-K50 PolarHBondContact O-N 3.39Å |
| 51 | D | 97.6 | Very high | 97.9 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -78.6 | -31.3 | -177.1 | -66.8 | -18.1 | 0 | 0 | 0 | 111.9 | Q47 L48 P53 | Q47-D51 PolarHBondContact NE2-OD1 3.32Å; Q47-D51 PolarHBondContact NE2-OD2 3.47Å; Q47-D51 PolarHBondContact O-N 2.91Å; L48-D51 PolarHBondContact O-N 2.95Å; D51-P53 VanDerWaalsContact C-CD 3.42Å; D51-P53 WeakPolarHBondContact O-CD 3.44Å |
| 52 | Y | 96.9 | Very high | 97.9 | Very high | 59 Ų | 59 | 58 Ų | 58 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -125.3 | 59.9 | -179 | -52.7 | -83.1 | 0 | 0 | 0 | 111.7 | L48 D54 L55 A56 A117 T118 | L48-Y52 HydrophobicContact CD2-CD2 4.21Å; L48-Y52 HydrophobicContact CD2-CE2 4.11Å; L48-Y52 PolarHBondContact O-N 3.04Å; Y52-D54 PolarHBondContact O-N 2.84Å; Y52-D54 VanDerWaalsContact O-N 3.16Å; Y52-L55 HydrophobicContact CD1-CD1 4.21Å; Y52-L55 PolarHBondContact O-N 2.95Å; Y52-A56 WeakPolarHBondContact O-CB 3.4Å; Y52-A56 PolarHBondContact O-N 2.96Å; Y52-A117 HydrophobicContact CD2-CB 3.94Å; Y52-A117 WeakPolarHBondContact CE1-O 3.11Å; Y52-A117 HydrophobicContact CE2-CB 4.14Å; Y52-A117 HydrophobicContact CG-CB 4.37Å; Y52-T118 HydrophobicContact CE2-CG2 4.36Å; Y52-T118 WeakPolarHBondContact OH-CA 3.35Å |
| 53 | P | 96.1 | Very high | 97.9 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.9 | -169.3 | 27.3 | -36.4 | 0 | 0 | 0 | 114.6 | A49 D51 | A49-P53 VanDerWaalsContact O-CA 3.29Å; A49-P53 WeakPolarHBondContact O-CA 3.46Å; D51-P53 VanDerWaalsContact C-CD 3.42Å; D51-P53 WeakPolarHBondContact O-CD 3.44Å |
| 54 | D | 93.4 | Very high | 97.9 | Very high | 126 Ų | 126 | 57.6 Ų | 57.6 | 67% | 0.674 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -12.4 | 177.4 | -68.6 | -35.7 | 0 | 0 | 0 | 112.9 | Y52 P78 | Y52-D54 PolarHBondContact O-N 2.84Å; Y52-D54 VanDerWaalsContact O-N 3.16Å; D54-P78 HydrophobicContact CB-CG 3.77Å; D54-P78 VanDerWaalsContact O-CD 3.28Å; D54-P78 WeakPolarHBondContact O-CD 3.46Å; D54-P78 VanDerWaalsContact O-CG 3.31Å; D54-P78 WeakPolarHBondContact O-CG 3.13Å |
| 55 | L | 95.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -37.3 | -177.9 | -75.3 | 151.9 | 0 | 0 | 0 | 112.6 | Y52 L75 S76 A77 Y120 L130 | Y52-L55 HydrophobicContact CD1-CD1 4.21Å; Y52-L55 PolarHBondContact O-N 2.95Å; L55-L75 VanDerWaalsContact O-CA 3.29Å; L55-L75 WeakPolarHBondContact O-CA 3.32Å; L55-S76 WeakPolarHBondContact CA-O 3.3Å; L55-S76 PolarHBondContact O-N 2.74Å; L55-A77 HydrophobicContact CD2-CB 4.02Å; L55-Y120 HydrophobicContact CD1-CD1 3.56Å; L55-Y120 HydrophobicContact CD1-CE1 4.14Å; L55-Y120 HydrophobicContact CD1-CG 3.79Å; L55-Y120 HydrophobicContact CD2-CD1 3.97Å; L55-Y120 HydrophobicContact CD2-CD2 3.72Å; L55-Y120 HydrophobicContact CD2-CE1 4.05Å; L55-Y120 HydrophobicContact CD2-CE2 3.8Å; L55-Y120 HydrophobicContact CD2-CG 3.79Å; L55-Y120 HydrophobicContact CG-CD1 4.33Å; L55-Y120 HydrophobicContact CG-CG 4.45Å; L55-L130 HydrophobicContact CD2-CD1 4.16Å |
| 56 | A | 98.1 | Very high | 97.8 | Very high | 8 Ų | 8 | 64.2 Ų | 64.2 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.3 | -161.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y52 L73 A74 L75 | Y52-A56 WeakPolarHBondContact O-CB 3.4Å; Y52-A56 PolarHBondContact O-N 2.96Å; A56-L73 HydrophobicContact CB-CD1 4.3Å; A56-A74 WeakPolarHBondContact CA-O 3.27Å; A56-L75 HydrophobicContact CB-CD2 3.48Å; A56-L75 VanDerWaalsContact CB-CD2 3.48Å |
| 57 | Q | 98.1 | Very high | 97.8 | Very high | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 113.6 | 176 | -174.5 | -179.9 | 23.5 | 0 | 0 | 110.6 | A74 | Q57-A74 HydrophobicContact CB-CB 4.42Å; Q57-A74 PolarHBondContact N-O 3.21Å; Q57-A74 PolarHBondContact O-N 2.87Å |
| 58 | T | 98.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 65 Ų | 65 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 144.1 | 174.3 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | A49 | A49-T58 HydrophobicContact CB-CG2 3.97Å |
| 59 | Y | 98.8 | Very high | 97.8 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 21% | 0.212 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 174.4 | 175 | 63 | -81 | 0 | 0 | 0 | 111 | I61 A72 A74 H136 W202 | Y59-I61 HydrophobicContact CD2-CG2 4.15Å; Y59-I61 HydrophobicContact CE2-CG2 3.61Å; Y59-A72 HydrophobicContact CD1-CB 4.43Å; Y59-A72 HydrophobicContact CD2-CB 4.18Å; Y59-A72 HydrophobicContact CE1-CB 3.89Å; Y59-A72 HydrophobicContact CE2-CB 3.6Å; Y59-A72 VanDerWaalsContact CZ-CB 3.41Å; Y59-A72 PolarHBondContact N-O 2.92Å; Y59-A72 PolarHBondContact O-N 3.29Å; Y59-A72 VanDerWaalsContact O-O 3.04Å; Y59-A72 WeakPolarHBondContact OH-CB 3.28Å; Y59-A74 HydrophobicContact CE1-CB 4.17Å; Y59-H136 AromaticContact CE1-ND1 3.79Å; Y59-H136 AromaticContact CZ-ND1 3.65Å; Y59-H136 PolarHBondContact OH-ND1 3.47Å; Y59-W202 AromaticContact CE2-NE1 3.78Å; Y59-W202 AromaticContact CZ-NE1 3.93Å; Y59-W202 VanDerWaalsContact OH-CZ2 3.27Å; Y59-W202 WeakPolarHBondContact OH-CZ2 3.09Å; Y59-W202 PolarHBondContact OH-NE1 3.39Å |
| 60 | T | 98.6 | Very high | 97.9 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 144.8 | 172.4 | 58.8 | 0 | 0 | 0 | 0 | 109.9 | P69 I70 Y71 | T60-P69 HydrophobicContact CG2-CB 3.89Å; T60-I70 VanDerWaalsContact CA-O 3.28Å; T60-I70 WeakPolarHBondContact CA-O 3.35Å; T60-Y71 HydrophobicContact CG2-CD1 3.69Å; T60-Y71 HydrophobicContact CG2-CE1 3.92Å; T60-Y71 HydrophobicContact CG2-CG 4.49Å |
| 61 | I | 98.4 | Very high | 97.9 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -12 | 177.2 | 65.5 | 157.6 | 0 | 0 | 0 | 113.1 | Y59 I70 A72 L138 A198 L199 W202 | Y59-I61 HydrophobicContact CD2-CG2 4.15Å; Y59-I61 HydrophobicContact CE2-CG2 3.61Å; I61-I70 HydrophobicContact CD1-CG2 3.87Å; I61-I70 HydrophobicContact CG1-CB 3.82Å; I61-I70 HydrophobicContact CG1-CG2 3.54Å; I61-I70 PolarHBondContact N-O 2.85Å; I61-A72 HydrophobicContact CG2-CB 4.44Å; I61-L138 HydrophobicContact CD1-CD1 3.53Å; I61-L138 HydrophobicContact CG1-CD1 4.27Å; I61-A198 HydrophobicContact CD1-CB 4.14Å; I61-A198 HydrophobicContact CG1-CB 4.27Å; I61-A198 WeakPolarHBondContact O-CB 3.35Å; I61-L199 HydrophobicContact CD1-CD2 3.8Å; I61-L199 HydrophobicContact CD1-CG 4.09Å; I61-W202 HydrophobicContact CB-CB 4.28Å; I61-W202 HydrophobicContact CB-CG 4.33Å; I61-W202 HydrophobicContact CD1-CB 4.32Å; I61-W202 HydrophobicContact CD1-CE3 4.39Å; I61-W202 HydrophobicContact CG2-CB 4.11Å; I61-W202 HydrophobicContact CG2-CD2 3.93Å; I61-W202 HydrophobicContact CG2-CG 3.63Å |
| 62 | G | 98.3 | Very high | 98 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | -162.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I70 | G62-I70 PolarHBondContact O-N 3.14Å |
| 63 | K | 98.6 | Very high | 98 | Very high | 98 Ų | 98 | 53.5 Ų | 53.5 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 153 | 175.5 | -60.7 | -170.1 | -179.8 | -170.9 | 0 | 110.2 | D67 R68 | K63-D67 WeakPolarHBondContact CD-OD1 3.48Å; K63-D67 WeakPolarHBondContact CE-OD1 3.5Å; K63-D67 IonicContact NZ-OD1 2.77Å; K63-D67 PolarHBondContact NZ-OD1 3.23Å; K63-D67 IonicContact NZ-OD2 3.2Å; K63-D67 PolarHBondContact NZ-OD2 3.07Å; K63-R68 CarbonylContact C-O 3.25Å; K63-R68 VanDerWaalsContact CA-O 3.25Å; K63-R68 WeakPolarHBondContact CA-O 3.5Å |
| 64 | S | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | trans | -74 | 176.9 | 171.7 | 68.8 | 0 | 0 | 0 | 0 | 112.4 | E66 D67 R68 D144 E195 | S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 PolarHBondContact O-N 3.46Å; S64-E66 PolarHBondContact OG-N 2.98Å; S64-D67 PolarHBondContact O-N 2.79Å; S64-D67 VanDerWaalsContact O-N 3.12Å; S64-R68 PolarHBondContact N-O 3.47Å; S64-R68 VanDerWaalsContact OG-CB 3.29Å; S64-R68 WeakPolarHBondContact OG-CB 3.22Å; S64-R68 PolarHBondContact OG-N 2.91Å; S64-R68 PolarHBondContact OG-O 3.26Å; S64-D144 VanDerWaalsContact CB-CG 3.43Å; S64-D144 VanDerWaalsContact CB-OD1 3.28Å; S64-D144 WeakPolarHBondContact CB-OD1 3.23Å; S64-D144 WeakPolarHBondContact CB-OD2 3.28Å; S64-D144 PolarHBondContact OG-OD1 2.75Å; S64-D144 PolarHBondContact OG-OD2 3.29Å; S64-D144 VanDerWaalsContact OG-OD2 3.08Å; S64-E195 VanDerWaalsContact CA-OE1 3.3Å; S64-E195 WeakPolarHBondContact CA-OE1 3.41Å; S64-E195 VanDerWaalsContact CB-OE1 3.25Å; S64-E195 WeakPolarHBondContact CB-OE1 3.41Å | ||
| 65 | L | 98 | Very high | 98.4 | Very high | 84 Ų | 84 | 43.4 Ų | 43.4 | 44% | 0.44 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.9 | 173.9 | -79.2 | 172.8 | 0 | 0 | 0 | 113.5 | D67 D144 N165 A166 A167 P194 E195 | L65-D67 PolarHBondContact O-N 3.11Å; L65-D144 PolarHBondContact N-OD2 2.66Å; L65-N165 WeakPolarHBondContact CD1-ND2 3.41Å; L65-A166 HydrophobicContact CB-CB 3.83Å; L65-A166 HydrophobicContact CD1-CB 4Å; L65-A167 HydrophobicContact CD1-CB 3.57Å; L65-P194 HydrophobicContact CB-CG 4.39Å; L65-P194 HydrophobicContact CD2-CG 3.65Å; L65-P194 HydrophobicContact CG-CG 3.58Å; L65-E195 PolarHBondContact N-OE1 3.23Å; L65-E195 VanDerWaalsContact N-OE1 3.15Å |
| 66 | E | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 44 Ų | 44 | 38% | 0.383 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 23.2 | 175.9 | -60.2 | 179.4 | 174.6 | 0 | 0 | 113 | S64 R68 D144 K148 A166 | S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 PolarHBondContact O-N 3.46Å; S64-E66 PolarHBondContact OG-N 2.98Å; E66-R68 PolarHBondContact O-N 3.34Å; E66-R68 IonicContact OE2-NE 3.47Å; E66-R68 IonicContact OE2-NH2 2.83Å; E66-D144 PolarHBondContact N-OD2 3.47Å; E66-K148 VanDerWaalsContact OE1-CE 3.29Å; E66-K148 WeakPolarHBondContact OE1-CE 3.37Å; E66-K148 IonicContact OE1-NZ 2.66Å; E66-K148 PolarHBondContact OE1-NZ 2.84Å; E66-A166 HydrophobicContact CG-CB 3.87Å |
| 67 | D | 98.4 | Very high | 98.2 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | trans | 62.9 | 19.9 | 177.4 | -157.9 | 58.8 | 0 | 0 | 0 | 114.7 | K63 S64 L65 | K63-D67 WeakPolarHBondContact CD-OD1 3.48Å; K63-D67 WeakPolarHBondContact CE-OD1 3.5Å; K63-D67 IonicContact NZ-OD1 2.77Å; K63-D67 PolarHBondContact NZ-OD1 3.23Å; K63-D67 IonicContact NZ-OD2 3.2Å; K63-D67 PolarHBondContact NZ-OD2 3.07Å; S64-D67 PolarHBondContact O-N 2.79Å; S64-D67 VanDerWaalsContact O-N 3.12Å; L65-D67 PolarHBondContact O-N 3.11Å | ||
| 68 | R | 98.7 | Very high | 97.6 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | trans | -78.1 | 127.7 | 176 | -56.1 | -176.6 | -171.6 | -88.4 | -4.5 | 110 | E39 K63 S64 E66 P143 D144 | E39-R68 IonicContact OE1-NH1 3.28Å; K63-R68 CarbonylContact C-O 3.25Å; K63-R68 VanDerWaalsContact CA-O 3.25Å; K63-R68 WeakPolarHBondContact CA-O 3.5Å; S64-R68 PolarHBondContact N-O 3.47Å; S64-R68 VanDerWaalsContact OG-CB 3.29Å; S64-R68 WeakPolarHBondContact OG-CB 3.22Å; S64-R68 PolarHBondContact OG-N 2.91Å; S64-R68 PolarHBondContact OG-O 3.26Å; E66-R68 PolarHBondContact O-N 3.34Å; E66-R68 IonicContact OE2-NE 3.47Å; E66-R68 IonicContact OE2-NH2 2.83Å; R68-P143 HydrophobicContact CB-CB 4.11Å; R68-P143 HydrophobicContact CB-CG 3.88Å; R68-D144 WeakPolarHBondContact CD-OD1 3.47Å; R68-D144 WeakPolarHBondContact CG-OD1 3.47Å; R68-D144 IonicContact NE-OD1 3.48Å; R68-D144 PolarHBondContact NE-OD1 3.39Å | ||
| 69 | P | 98.7 | Very high | 96.3 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 22% | 0.221 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 139.7 | 176.7 | -20 | 32.3 | 0 | 0 | 0 | 111.7 | N38 T60 Y71 | N38-P69 PolarHBondContact ND2-O 3.12Å; T60-P69 HydrophobicContact CG2-CB 3.89Å; P69-Y71 HydrophobicContact CB-CD1 4.46Å; P69-Y71 HydrophobicContact CB-CD2 4.34Å; P69-Y71 HydrophobicContact CB-CE1 3.98Å; P69-Y71 HydrophobicContact CB-CE2 3.85Å; P69-Y71 HydrophobicContact CG-CE2 4.25Å; P69-Y71 PolarHBondContact O-N 3.22Å |
| 70 | I | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 94.8 | 172.3 | -56 | 170.4 | 0 | 0 | 0 | 107.3 | T60 I61 G62 L138 T140 E195 A198 | T60-I70 VanDerWaalsContact CA-O 3.28Å; T60-I70 WeakPolarHBondContact CA-O 3.35Å; I61-I70 HydrophobicContact CD1-CG2 3.87Å; I61-I70 HydrophobicContact CG1-CB 3.82Å; I61-I70 HydrophobicContact CG1-CG2 3.54Å; I61-I70 PolarHBondContact N-O 2.85Å; G62-I70 PolarHBondContact O-N 3.14Å; I70-L138 HydrophobicContact CG2-CD1 4.3Å; I70-L138 HydrophobicContact CG2-CD2 4.03Å; I70-L138 HydrophobicContact CG2-CG 4.3Å; I70-T140 WeakPolarHBondContact CG2-O 3.37Å; I70-E195 HydrophobicContact CD1-CB 4.26Å; I70-E195 HydrophobicContact CD1-CG 4.16Å; I70-A198 HydrophobicContact CD1-CB 4.33Å |
| 71 | Y | 98.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 143.1 | -175.6 | -64.9 | -74.8 | 0 | 0 | 0 | 112.4 | N38 I41 T60 P69 | N38-Y71 VanDerWaalsContact O-CE2 3.3Å; N38-Y71 WeakPolarHBondContact O-CE2 3.46Å; I41-Y71 HydrophobicContact CG2-CD2 4.31Å; I41-Y71 HydrophobicContact CG2-CG 4.45Å; T60-Y71 HydrophobicContact CG2-CD1 3.69Å; T60-Y71 HydrophobicContact CG2-CE1 3.92Å; T60-Y71 HydrophobicContact CG2-CG 4.49Å; P69-Y71 HydrophobicContact CB-CD1 4.46Å; P69-Y71 HydrophobicContact CB-CD2 4.34Å; P69-Y71 HydrophobicContact CB-CE1 3.98Å; P69-Y71 HydrophobicContact CB-CE2 3.85Å; P69-Y71 HydrophobicContact CG-CE2 4.25Å; P69-Y71 PolarHBondContact O-N 3.22Å |
| 72 | A | 98.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y59 I61 F137 | Y59-A72 HydrophobicContact CD1-CB 4.43Å; Y59-A72 HydrophobicContact CD2-CB 4.18Å; Y59-A72 HydrophobicContact CE1-CB 3.89Å; Y59-A72 HydrophobicContact CE2-CB 3.6Å; Y59-A72 VanDerWaalsContact CZ-CB 3.41Å; Y59-A72 PolarHBondContact N-O 2.92Å; Y59-A72 PolarHBondContact O-N 3.29Å; Y59-A72 VanDerWaalsContact O-O 3.04Å; Y59-A72 WeakPolarHBondContact OH-CB 3.28Å; I61-A72 HydrophobicContact CG2-CB 4.44Å; A72-F137 CarbonylContact C-O 3.57Å; A72-F137 WeakPolarHBondContact CA-O 3.36Å |
| 73 | L | 98.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.9 | 174.3 | -171.8 | 75.9 | 0 | 0 | 0 | 109 | F45 L48 A56 L75 A113 H136 F137 | F45-L73 HydrophobicContact CB-CD1 4.16Å; F45-L73 HydrophobicContact CD1-CB 4Å; F45-L73 HydrophobicContact CD1-CD2 4.09Å; F45-L73 HydrophobicContact CD1-CG 4.45Å; F45-L73 HydrophobicContact CD2-CB 3.79Å; F45-L73 HydrophobicContact CE1-CB 3.96Å; F45-L73 HydrophobicContact CE1-CD2 4.22Å; F45-L73 HydrophobicContact CE2-CB 3.78Å; F45-L73 HydrophobicContact CG-CB 3.91Å; F45-L73 HydrophobicContact CG-CD1 4.27Å; F45-L73 HydrophobicContact CZ-CB 3.85Å; L48-L73 HydrophobicContact CB-CD2 4.39Å; L48-L73 HydrophobicContact CD1-CD2 3.73Å; A56-L73 HydrophobicContact CB-CD1 4.3Å; L73-L75 HydrophobicContact CD2-CD2 3.76Å; L73-L75 HydrophobicContact CD2-CG 4.07Å; L73-L75 HydrophobicContact CG-CD2 4.15Å; L73-L75 HydrophobicContact CG-CG 4.48Å; L73-A113 HydrophobicContact CD2-CB 4.02Å; L73-H136 CarbonylContact O-C 3.57Å; L73-H136 WeakPolarHBondContact O-CA 3.35Å; L73-F137 HydrophobicContact CB-CB 4.45Å; L73-F137 PolarHBondContact N-O 3.09Å; L73-F137 WeakPolarHBondContact O-CD2 3.27Å; L73-F137 PolarHBondContact O-N 3.34Å |
| 74 | A | 98.7 | Very high | 85.7 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A56 Q57 Y59 I135 | A56-A74 WeakPolarHBondContact CA-O 3.27Å; Q57-A74 HydrophobicContact CB-CB 4.42Å; Q57-A74 PolarHBondContact N-O 3.21Å; Q57-A74 PolarHBondContact O-N 2.87Å; Y59-A74 HydrophobicContact CE1-CB 4.17Å; A74-I135 CarbonylContact C-O 3.54Å; A74-I135 WeakPolarHBondContact CA-O 3.27Å |
| 75 | L | 98.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.9 | 168.1 | -61.5 | -176.6 | 0 | 0 | 0 | 109.7 | L55 A56 L73 A113 L116 A117 L130 I135 F137 | L55-L75 VanDerWaalsContact O-CA 3.29Å; L55-L75 WeakPolarHBondContact O-CA 3.32Å; A56-L75 HydrophobicContact CB-CD2 3.48Å; A56-L75 VanDerWaalsContact CB-CD2 3.48Å; L73-L75 HydrophobicContact CD2-CD2 3.76Å; L73-L75 HydrophobicContact CD2-CG 4.07Å; L73-L75 HydrophobicContact CG-CD2 4.15Å; L73-L75 HydrophobicContact CG-CG 4.48Å; L75-A113 WeakPolarHBondContact CD1-O 3.5Å; L75-L116 HydrophobicContact CD1-CB 3.86Å; L75-A117 HydrophobicContact CD1-CB 4.28Å; L75-A117 HydrophobicContact CD2-CB 4.47Å; L75-L130 HydrophobicContact CB-CD2 3.93Å; L75-I135 PolarHBondContact N-O 3.47Å; L75-I135 PolarHBondContact O-N 2.77Å; L75-F137 HydrophobicContact CB-CE2 4Å; L75-F137 HydrophobicContact CD1-CD2 4.37Å; L75-F137 HydrophobicContact CD1-CE2 3.64Å; L75-F137 HydrophobicContact CD1-CZ 4.23Å; L75-F137 HydrophobicContact CG-CD2 4.22Å; L75-F137 HydrophobicContact CG-CE2 3.7Å |
| 76 | S | 95.8 | Very high | 83.5 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | trans | -155.3 | 139.8 | 169.6 | 64 | 0 | 0 | 0 | 0 | 109.8 | L55 | L55-S76 WeakPolarHBondContact CA-O 3.3Å; L55-S76 PolarHBondContact O-N 2.74Å | ||
| 77 | A | 93.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -74.1 | 150.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | L55 T79 R89 Y120 L130 N131 | L55-A77 HydrophobicContact CD2-CB 4.02Å; A77-T79 PolarHBondContact O-N 3.38Å; A77-R89 VanDerWaalsContact O-CZ 3.27Å; A77-R89 PolarHBondContact O-NH1 2.87Å; A77-R89 PolarHBondContact O-NH2 2.91Å; A77-Y120 HydrophobicContact CB-CE2 3.72Å; A77-Y120 WeakPolarHBondContact CB-OH 3.49Å; A77-L130 HydrophobicContact CB-CB 4.38Å; A77-L130 WeakPolarHBondContact CB-O 3.07Å; A77-L130 PolarHBondContact N-O 3.48Å; A77-N131 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 78 | P | 84.6 | Confident | 83 | Confident | 71 Ų | 71 | 50.9 Ų | 50.9 | 46% | 0.461 | 29% | 0.286 | S | S | . | . | trans | -54.8 | 141.2 | 171.8 | -23.2 | 33.2 | 0 | 0 | 0 | 111 | D54 G80 | D54-P78 HydrophobicContact CB-CG 3.77Å; D54-P78 VanDerWaalsContact O-CD 3.28Å; D54-P78 WeakPolarHBondContact O-CD 3.46Å; D54-P78 VanDerWaalsContact O-CG 3.31Å; D54-P78 WeakPolarHBondContact O-CG 3.13Å; P78-G80 PolarHBondContact O-N 2.91Å; P78-G80 VanDerWaalsContact O-N 3.15Å | ||
| 79 | T | 71.9 | Confident | 82.9 | Confident | 47 Ų | 47 | 49 Ų | 49 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | trans | -75.9 | -1.5 | -172.1 | 38.6 | 0 | 0 | 0 | 0 | 114.9 | A77 S82 D86 R89 | A77-T79 PolarHBondContact O-N 3.38Å; T79-S82 WeakPolarHBondContact O-CB 3.32Å; T79-S82 PolarHBondContact O-N 3.06Å; T79-D86 VanDerWaalsContact CG2-CA 3.49Å; T79-D86 HydrophobicContact CG2-CB 3.66Å; T79-D86 WeakPolarHBondContact CG2-OD1 3.29Å; T79-R89 VanDerWaalsContact CG2-CZ 3.42Å | ||
| 80 | G | 65.4 | Low | 82.8 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | -152.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P78 S82 | P78-G80 PolarHBondContact O-N 2.91Å; P78-G80 VanDerWaalsContact O-N 3.15Å; G80-S82 PolarHBondContact O-N 2.79Å |
| 81 | E | 50.1 | Low | 82.8 | Confident | 204 Ų | 204 | 48.4 Ų | 48.4 | 95% | 0.953 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 36.5 | 170.7 | -61.8 | -173.7 | 172.7 | 0 | 0 | 112.4 | K83 | E81-K83 PolarHBondContact O-N 3.37Š|
| 82 | S | 55.1 | Low | 82.8 | Confident | 63 Ų | 63 | 46 Ų | 46 | 44% | 0.441 | 27% | 0.265 | S | S | . | . | trans | -57.8 | 132.9 | 175 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | T79 G80 N84 G85 | T79-S82 WeakPolarHBondContact O-CB 3.32Å; T79-S82 PolarHBondContact O-N 3.06Å; G80-S82 PolarHBondContact O-N 2.79Å; S82-N84 PolarHBondContact O-N 3.35Å; S82-N84 PolarHBondContact OG-N 3.01Å; S82-G85 PolarHBondContact O-N 3.49Å | ||
| 83 | K | 46.8 | Very low | 82.8 | Confident | 211 Ų | 211 | 46 Ų | 46 | 92% | 0.917 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.2 | 177.8 | -72.9 | -173.9 | 177.9 | -179.6 | 0 | 114 | E81 | E81-K83 PolarHBondContact O-N 3.37Š|
| 84 | N | 53.3 | Low | 82.8 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 2.2 | 178.3 | -63.1 | -48 | 0 | 0 | 0 | 113.4 | S82 L87 R409 | S82-N84 PolarHBondContact O-N 3.35Å; S82-N84 PolarHBondContact OG-N 3.01Å; N84-L87 HydrophobicContact CB-CB 4.42Å; N84-L87 VanDerWaalsContact O-CB 3.3Å; N84-L87 WeakPolarHBondContact O-CB 3.34Å; N84-L87 WeakPolarHBondContact O-CG 3.44Å; N84-L87 PolarHBondContact O-N 3.21Å; N84-R409 PolarHBondContact ND2-NH1 2.69Å; N84-R409 PolarHBondContact OD1-NH1 3.46Å; N84-R409 VanDerWaalsContact OD1-NH1 3.11Å |
| 85 | G | 68.8 | Low | 82.8 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -137.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S82 L87 | S82-G85 PolarHBondContact O-N 3.49Å; G85-L87 VanDerWaalsContact C-N 3.26Å; G85-L87 PolarHBondContact O-N 3.44Å |
| 86 | D | 80.3 | Confident | 82.8 | Confident | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 9.2 | 177.4 | -166.5 | 53.1 | 0 | 0 | 0 | 114.7 | T79 R89 R369 | T79-D86 VanDerWaalsContact CG2-CA 3.49Å; T79-D86 HydrophobicContact CG2-CB 3.66Å; T79-D86 WeakPolarHBondContact CG2-OD1 3.29Å; D86-R89 IonicContact OD1-CZ 3.92Å; D86-R89 IonicContact OD1-NE 2.81Å; D86-R89 IonicContact OD1-NH1 3.07Å; D86-R89 PolarHBondContact OD1-NH1 3.3Å; D86-R89 VanDerWaalsContact OD1-NH1 3.16Å; D86-R369 PolarHBondContact O-NH1 3.21Å; D86-R369 PolarHBondContact O-NH2 3.39Å; D86-R369 IonicContact OD2-CZ 3.96Å; D86-R369 IonicContact OD2-NH1 3.81Å; D86-R369 PolarHBondContact OD2-NH1 3.02Å; D86-R369 IonicContact OD2-NH2 3.25Å |
| 87 | L | 91.9 | Very high | 83 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 148.3 | 178.3 | -65.1 | 172.2 | 0 | 0 | 0 | 111.5 | N84 G85 R89 R369 E371 | N84-L87 HydrophobicContact CB-CB 4.42Å; N84-L87 VanDerWaalsContact O-CB 3.3Å; N84-L87 WeakPolarHBondContact O-CB 3.34Å; N84-L87 WeakPolarHBondContact O-CG 3.44Å; N84-L87 PolarHBondContact O-N 3.21Å; G85-L87 VanDerWaalsContact C-N 3.26Å; G85-L87 PolarHBondContact O-N 3.44Å; L87-R89 PolarHBondContact O-N 2.72Å; L87-R369 HydrophobicContact CD2-CB 3.89Å; L87-R369 HydrophobicContact CD2-CG 4.38Å; L87-E371 WeakPolarHBondContact CA-OE1 3.18Å; L87-E371 HydrophobicContact CD2-CG 4.26Å |
| 88 | L | 95.6 | Very high | 83.2 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 17.3 | 174.4 | -53.2 | 177.8 | 0 | 0 | 0 | 114.4 | P90 K338 G339 L340 E371 W373 | L88-P90 WeakPolarHBondContact O-CD 3.11Å; L88-K338 HydrophobicContact CB-CD 4.1Å; L88-K338 WeakPolarHBondContact O-CD 3.31Å; L88-K338 PolarHBondContact O-NZ 3.45Å; L88-G339 VanDerWaalsContact CD2-O 3.28Å; L88-G339 WeakPolarHBondContact CD2-O 3.48Å; L88-L340 HydrophobicContact CD2-CD2 3.9Å; L88-L340 HydrophobicContact CD2-CG 4.26Å; L88-L340 HydrophobicContact CG-CD2 4.46Å; L88-E371 HydrophobicContact CD2-CB 4.02Å; L88-E371 HydrophobicContact CD2-CG 3.99Å; L88-E371 PolarHBondContact N-OE1 3.16Å; L88-W373 PolarHBondContact O-NE1 2.89Å |
| 89 | R | 95.6 | Very high | 83.9 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | trans | -80.7 | 109.7 | 167.5 | -179 | 175.6 | -75 | -179.4 | -13.4 | 109.5 | A77 T79 D86 L87 N131 L132 W373 | A77-R89 VanDerWaalsContact O-CZ 3.27Å; A77-R89 PolarHBondContact O-NH1 2.87Å; A77-R89 PolarHBondContact O-NH2 2.91Å; T79-R89 VanDerWaalsContact CG2-CZ 3.42Å; D86-R89 IonicContact OD1-CZ 3.92Å; D86-R89 IonicContact OD1-NE 2.81Å; D86-R89 IonicContact OD1-NH1 3.07Å; D86-R89 PolarHBondContact OD1-NH1 3.3Å; D86-R89 VanDerWaalsContact OD1-NH1 3.16Å; L87-R89 PolarHBondContact O-N 2.72Å; R89-N131 PolarHBondContact NE-O 2.93Å; R89-N131 PolarHBondContact NH2-O 2.88Å; R89-L132 WeakPolarHBondContact CG-O 3.48Å; R89-W373 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 90 | P | 97.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -63.9 | 139.9 | 178.4 | 26.2 | -36 | 0 | 0 | 0 | 111.4 | L88 L132 E134 V209 A333 H334 W373 | L88-P90 WeakPolarHBondContact O-CD 3.11Å; P90-L132 WeakPolarHBondContact CD-O 3.36Å; P90-E134 PolarHBondContact O-N 2.98Å; P90-E134 VanDerWaalsContact O-N 3.08Å; P90-V209 HydrophobicContact CB-CB 4.19Å; P90-V209 HydrophobicContact CB-CG2 3.79Å; P90-A333 HydrophobicContact CB-CB 4.31Å; P90-A333 HydrophobicContact CG-CB 4.33Å; P90-H334 VanDerWaalsContact CG-CE1 3.45Å; P90-H334 WeakPolarHBondContact CG-CE1 3.49Å; P90-W373 HydrophobicContact CB-CG 4.46Å | ||
| 91 | M | 98.6 | Very high | 86.8 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 11% | 0.108 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.9 | 168 | -67.4 | 179.9 | -173.2 | 0 | 0 | 109.7 | E134 K206 P207 F208 V209 | M91-E134 CarbonylContact C-O 3.59Å; M91-E134 WeakPolarHBondContact CA-O 3.4Å; M91-E134 WeakPolarHBondContact CE-OE2 3.36Å; M91-E134 HydrophobicContact CG-CB 4.14Å; M91-E134 HydrophobicContact CG-CG 4.33Å; M91-K206 HydrophobicContact SD-CB 4Å; M91-K206 HydrophobicContact SD-CD 4.25Å; M91-K206 HydrophobicContact SD-CG 4.1Å; M91-P207 HydrophobicContact CE-CG 4.47Å; M91-P207 HydrophobicContact SD-CG 4.04Å; M91-F208 HydrophobicContact CB-CD1 3.96Å; M91-F208 HydrophobicContact CB-CE1 4.33Å; M91-F208 WeakPolarHBondContact O-CA 3.49Å; M91-V209 PolarHBondContact O-N 3.13Å |
| 92 | V | 98.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.5 | 177.3 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | T133 E134 I135 H136 L210 L330 A333 | V92-T133 HydrophobicContact CB-CG2 4.24Å; V92-T133 HydrophobicContact CG2-CG2 3.64Å; V92-E134 PolarHBondContact N-O 3.03Å; V92-I135 WeakPolarHBondContact O-CA 3.32Å; V92-H136 PolarHBondContact O-N 3.3Å; V92-L210 WeakPolarHBondContact CA-O 3.03Å; V92-L210 HydrophobicContact CG1-CB 4.19Å; V92-L210 HydrophobicContact CG1-CG 4.42Å; V92-L210 WeakPolarHBondContact CG1-O 3.26Å; V92-L210 HydrophobicContact CG2-CB 4.31Å; V92-L330 HydrophobicContact CB-CD2 4.36Å; V92-L330 HydrophobicContact CG1-CD2 3.65Å; V92-A333 HydrophobicContact CG2-CB 3.32Å |
| 93 | K | 98.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.1 | 172.5 | 65.7 | -178.8 | -170.4 | -70.1 | 0 | 113.1 | V95 H136 W202 F208 L210 S211 A212 N291 C297 E299 | K93-V95 HydrophobicContact CB-CG2 4.37Å; K93-V95 HydrophobicContact CD-CG2 4.06Å; K93-V95 HydrophobicContact CG-CG2 4.1Å; K93-H136 CarbonylContact C-O 3.48Å; K93-H136 VanDerWaalsContact CA-O 3.26Å; K93-H136 WeakPolarHBondContact CA-O 3.37Å; K93-H136 HydrophobicContact CB-CB 4.01Å; K93-W202 HydrophobicContact CB-CH2 3.76Å; K93-W202 HydrophobicContact CB-CZ2 4.42Å; K93-W202 HydrophobicContact CB-CZ3 4.43Å; K93-W202 HydrophobicContact CD-CE3 4.29Å; K93-W202 HydrophobicContact CD-CH2 3.72Å; K93-W202 HydrophobicContact CD-CZ3 3.58Å; K93-W202 HydrophobicContact CG-CH2 4.33Å; K93-F208 HydrophobicContact CB-CD1 3.94Å; K93-F208 HydrophobicContact CB-CE1 3.67Å; K93-F208 HydrophobicContact CB-CZ 4.26Å; K93-F208 HydrophobicContact CD-CD1 4.01Å; K93-F208 HydrophobicContact CD-CD2 3.99Å; K93-F208 HydrophobicContact CD-CE1 4.03Å; K93-F208 HydrophobicContact CD-CE2 3.99Å; K93-F208 HydrophobicContact CD-CG 4Å; K93-F208 HydrophobicContact CD-CZ 4.02Å; K93-F208 HydrophobicContact CG-CD1 3.99Å; K93-F208 HydrophobicContact CG-CE1 4.12Å; K93-F208 HydrophobicContact CG-CG 4.35Å; K93-L210 PolarHBondContact N-O 3.37Å; K93-L210 VanDerWaalsContact N-O 3.15Å; K93-S211 VanDerWaalsContact CE-OG 3.29Å; K93-S211 WeakPolarHBondContact CE-OG 3.02Å; K93-S211 WeakPolarHBondContact CG-OG 3.48Å; K93-S211 PolarHBondContact NZ-OG 2.96Å; K93-S211 VanDerWaalsContact O-CA 3.24Å; K93-S211 WeakPolarHBondContact O-CA 3.32Å; K93-S211 PolarHBondContact O-OG 2.7Å; K93-A212 PolarHBondContact O-N 3.36Å; K93-N291 WeakPolarHBondContact CE-OD1 3.47Å; K93-N291 PolarHBondContact NZ-OD1 3.04Å; K93-C297 PolarHBondContact NZ-SG 3.15Å; K93-E299 WeakPolarHBondContact CE-OE2 3.43Å; K93-E299 IonicContact NZ-OE2 2.79Å |
| 94 | L | 98.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.6 | 171.5 | -64.6 | -172.5 | 0 | 0 | 0 | 107.8 | V109 M112 H136 F137 L138 A212 F214 L326 L330 | L94-V109 HydrophobicContact CB-CG2 4.17Å; L94-M112 HydrophobicContact CD1-CG 4.25Å; L94-H136 PolarHBondContact N-O 3.07Å; L94-F137 HydrophobicContact CB-CD1 4.44Å; L94-F137 HydrophobicContact CD1-CD1 4.3Å; L94-F137 HydrophobicContact CD1-CE1 3.95Å; L94-L138 PolarHBondContact O-N 3.13Å; L94-A212 HydrophobicContact CD2-CB 4.22Å; L94-F214 HydrophobicContact CB-CE2 4.08Å; L94-F214 HydrophobicContact CD2-CE2 4.07Å; L94-F214 HydrophobicContact CD2-CZ 4.11Å; L94-F214 HydrophobicContact CG-CE2 4.48Å; L94-L326 HydrophobicContact CD1-CD2 4.17Å; L94-L330 HydrophobicContact CD1-CD1 4.42Å; L94-L330 HydrophobicContact CD1-CD2 4.13Å; L94-L330 HydrophobicContact CD2-CD2 4.18Å; L94-L330 HydrophobicContact CG-CD2 4.12Å |
| 95 | V | 98.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.4 | -170.5 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | K93 L138 C141 W202 A212 N213 F214 M287 | K93-V95 HydrophobicContact CB-CG2 4.37Å; K93-V95 HydrophobicContact CD-CG2 4.06Å; K93-V95 HydrophobicContact CG-CG2 4.1Å; V95-L138 CarbonylContact C-O 3.2Å; V95-L138 WeakPolarHBondContact CA-O 3.39Å; V95-L138 HydrophobicContact CG1-CB 4.39Å; V95-L138 HydrophobicContact CG1-CD2 4.24Å; V95-L138 HydrophobicContact CG2-CB 4.34Å; V95-C141 WeakPolarHBondContact CG1-SG 3.31Å; V95-W202 HydrophobicContact CG2-CH2 4.37Å; V95-W202 HydrophobicContact CG2-CZ3 3.96Å; V95-A212 PolarHBondContact N-O 3.25Å; V95-N213 HydrophobicContact CB-CB 4.44Å; V95-N213 CarbonylContact O-C 3.38Å; V95-N213 WeakPolarHBondContact O-CA 3.38Å; V95-F214 WeakPolarHBondContact O-CD2 3.42Å; V95-F214 PolarHBondContact O-N 2.8Å; V95-M287 HydrophobicContact CB-CE 4.35Å; V95-M287 HydrophobicContact CG1-CE 3.89Å |
| 96 | A | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 9 Ų | 9 | 2% | 0.017 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 168.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I98 G105 V109 L138 T140 C141 F214 | A96-I98 PolarHBondContact O-N 2.05Å; A96-G105 WeakPolarHBondContact CB-O 3.23Å; A96-V109 HydrophobicContact CB-CG2 3.83Å; A96-L138 PolarHBondContact N-O 3.29Å; A96-T140 WeakPolarHBondContact O-CA 3.29Å; A96-C141 PolarHBondContact O-N 2.98Å; A96-F214 HydrophobicContact CB-CB 4.01Å; A96-F214 HydrophobicContact CB-CD2 4.23Å |
| 97 | N | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | 57.1 | 41.6 | 166 | -167.1 | -134.6 | 0 | 0 | 0 | 111.6 | Q99 G100 E102 R106 T140 C141 N142 F146 | N97-Q99 PolarHBondContact ND2-O 2.78Å; N97-G100 VanDerWaalsContact ND2-C 3.27Å; N97-G100 WeakPolarHBondContact ND2-CA 3.32Å; N97-G100 PolarHBondContact ND2-O 3.01Å; N97-E102 PolarHBondContact ND2-O 2.97Å; N97-R106 HydrophobicContact CB-CB 3.94Å; N97-R106 HydrophobicContact CB-CG 4.47Å; N97-R106 PolarHBondContact OD1-NH1 3.23Å; N97-T140 PolarHBondContact OD1-OG1 2.94Å; N97-C141 PolarHBondContact O-N 2.9Å; N97-N142 VanDerWaalsContact O-CB 3.31Å; N97-N142 WeakPolarHBondContact O-CB 3.3Å; N97-N142 PolarHBondContact O-N 2.88Å; N97-F146 WeakPolarHBondContact OD1-CB 3.41Å | ||
| 98 | I | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 3.9 Ų | 3.9 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | S | Bend | trans | -66.7 | -31.5 | 164.3 | -170.6 | 167.8 | 0 | 0 | 0 | 110.9 | A96 C141 N142 L171 N172 F175 H215 M287 | A96-I98 PolarHBondContact O-N 2.05Å; I98-C141 HydrophobicContact CB-CB 3.91Å; I98-C141 HydrophobicContact CG1-CB 4.17Å; I98-N142 VanDerWaalsContact O-CB 3.26Å; I98-N142 WeakPolarHBondContact O-CB 3.18Å; I98-N142 PolarHBondContact O-ND2 3.07Å; I98-L171 HydrophobicContact CD1-CB 4.06Å; I98-L171 HydrophobicContact CG1-CB 3.61Å; I98-L171 HydrophobicContact CG1-CD1 4.3Å; I98-N172 HydrophobicContact CD1-CB 4.22Å; I98-F175 HydrophobicContact CD1-CE2 3.9Å; I98-H215 WeakPolarHBondContact CG2-CE1 3.36Å; I98-H215 VanDerWaalsContact CG2-NE2 3.3Å; I98-H215 WeakPolarHBondContact CG2-NE2 3.38Å; I98-M287 HydrophobicContact CD1-CB 4.25Å; I98-M287 HydrophobicContact CD1-CE 4.16Å; I98-M287 HydrophobicContact CD1-SD 4.21Å |
| 99 | Q | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 3.5 Ų | 3.5 | 2% | 0.023 | 2% | 0.017 | C | C | . | . | S | Bend | trans | -100.7 | 114.7 | 163.8 | -74.3 | 159.8 | -0.9 | 0 | 0 | 107.6 | N97 D101 E102 R163 D170 H215 | N97-Q99 PolarHBondContact ND2-O 2.78Å; Q99-D101 PolarHBondContact O-N 3.08Å; Q99-E102 HydrophobicContact CB-CB 4.36Å; Q99-E102 HydrophobicContact CB-CG 4.17Å; Q99-E102 PolarHBondContact O-N 3.44Å; Q99-E102 VanDerWaalsContact OE1-CD 3.23Å; Q99-E102 PolarHBondContact OE1-OE1 3.44Å; Q99-E102 PolarHBondContact OE1-OE2 3.39Å; Q99-R163 VanDerWaalsContact CA-O 3.31Å; Q99-R163 WeakPolarHBondContact CA-O 3.44Å; Q99-R163 HydrophobicContact CB-CG 3.99Å; Q99-R163 VanDerWaalsContact CD-NH2 3.33Å; Q99-R163 HydrophobicContact CG-CG 3.73Å; Q99-R163 VanDerWaalsContact OE1-CZ 3.25Å; Q99-D170 PolarHBondContact NE2-OD1 3.02Å; Q99-D170 PolarHBondContact NE2-OD2 3.46Å; Q99-H215 PolarHBondContact OE1-CE1 3.19Å; Q99-H215 VanDerWaalsContact OE1-CE1 3.29Å; Q99-H215 PolarHBondContact OE1-ND1 2.82Å |
| 100 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N97 E102 F146 G162 R163 | N97-G100 VanDerWaalsContact ND2-C 3.27Å; N97-G100 WeakPolarHBondContact ND2-CA 3.32Å; N97-G100 PolarHBondContact ND2-O 3.01Å; G100-E102 VanDerWaalsContact C-N 3.32Å; G100-F146 WeakPolarHBondContact O-CA 3.3Å; G100-F146 WeakPolarHBondContact O-CD2 3.39Å; G100-G162 CarbonylContact C-O 3.41Å; G100-G162 VanDerWaalsContact C-O 3.25Å; G100-G162 WeakPolarHBondContact CA-O 3.44Å; G100-G162 PolarHBondContact N-O 2.76Å; G100-G162 VanDerWaalsContact N-O 3.08Å; G100-R163 PolarHBondContact N-O 2.84Å |
| 101 | D | 98.8 | Very high | 98.8 | Very high | 6 Ų | 6 | 2.7 Ų | 2.7 | 3% | 0.032 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2.4 | 176.3 | 62.4 | -18.4 | 0 | 0 | 0 | 114.2 | Q99 A149 S156 G162 R163 K308 Y309 | Q99-D101 PolarHBondContact O-N 3.08Å; D101-A149 HydrophobicContact CB-CB 3.76Å; D101-S156 VanDerWaalsContact OD2-CA 3.32Å; D101-S156 WeakPolarHBondContact OD2-CA 3.37Å; D101-S156 WeakPolarHBondContact OD2-CB 3.34Å; D101-S156 PolarHBondContact OD2-OG 3.32Å; D101-G162 PolarHBondContact N-O 2.03Å; D101-R163 VanDerWaalsContact OD1-CA 3.26Å; D101-R163 WeakPolarHBondContact OD1-CA 3.33Å; D101-R163 WeakPolarHBondContact OD1-CB 3.27Å; D101-K308 CarbonylContact O-C 3.34Å; D101-K308 WeakPolarHBondContact O-CB 3.21Å; D101-Y309 WeakPolarHBondContact O-CB 3.38Å |
| 102 | E | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 1.6 Ų | 1.6 | 1% | 0.014 | 1% | 0.009 | C | C | . | . | trans | -101 | 86.8 | 177.3 | -68.1 | 169 | -157.6 | 0 | 0 | 109 | N97 Q99 G100 R163 H215 G216 K308 | N97-E102 PolarHBondContact ND2-O 2.97Å; Q99-E102 HydrophobicContact CB-CB 4.36Å; Q99-E102 HydrophobicContact CB-CG 4.17Å; Q99-E102 PolarHBondContact O-N 3.44Å; Q99-E102 VanDerWaalsContact OE1-CD 3.23Å; Q99-E102 PolarHBondContact OE1-OE1 3.44Å; Q99-E102 PolarHBondContact OE1-OE2 3.39Å; G100-E102 VanDerWaalsContact C-N 3.32Å; E102-R163 IonicContact OE1-NH1 3.26Å; E102-R163 PolarHBondContact OE1-NH1 3.29Å; E102-H215 WeakPolarHBondContact OE2-CA 3.22Å; E102-H215 WeakPolarHBondContact OE2-CB 3.34Å; E102-H215 IonicContact OE2-CE1 3.94Å; E102-H215 IonicContact OE2-CG 3.4Å; E102-H215 IonicContact OE2-ND1 3.84Å; E102-H215 PolarHBondContact OE2-ND1 2.79Å; E102-G216 WeakPolarHBondContact CG-O 3.42Å; E102-G216 PolarHBondContact OE2-N 3.03Å; E102-K308 HydrophobicContact CG-CB 4.09Å; E102-K308 HydrophobicContact CG-CD 3.97Å; E102-K308 HydrophobicContact CG-CG 3.98Å; E102-K308 IonicContact OE1-NZ 2.85Å; E102-K308 PolarHBondContact OE1-NZ 2.9Å | ||
| 103 | A | 98.7 | Very high | 98.8 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.008 | C | C | . | . | trans | -97.4 | -19.1 | -157.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y35 G105 R106 F146 K308 Y309 | Y35-A103 HydrophobicContact CD1-CB 4.06Å; Y35-A103 HydrophobicContact CE1-CB 3.63Å; A103-G105 PolarHBondContact O-N 3.47Å; A103-R106 VanDerWaalsContact O-CB 3.23Å; A103-R106 WeakPolarHBondContact O-CB 2.99Å; A103-R106 PolarHBondContact O-N 2.83Å; A103-F146 HydrophobicContact CB-CE2 4.13Å; A103-K308 PolarHBondContact N-O 3.31Å; A103-Y309 HydrophobicContact CB-CD1 3.42Å; A103-Y309 VanDerWaalsContact CB-CD1 3.42Å; A103-Y309 HydrophobicContact CB-CD2 4.15Å; A103-Y309 HydrophobicContact CB-CE1 3.59Å; A103-Y309 HydrophobicContact CB-CE2 4.29Å; A103-Y309 HydrophobicContact CB-CG 3.73Å | ||
| 104 | V | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 3.1 Ų | 3.1 | 1% | 0.012 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | -177.1 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | R106 Q107 M108 L304 S305 P310 E318 | V104-R106 VanDerWaalsContact C-N 3.26Å; V104-R106 PolarHBondContact O-N 3.12Å; V104-Q107 PolarHBondContact O-N 3.49Å; V104-Q107 VanDerWaalsContact O-N 3.14Å; V104-M108 HydrophobicContact CG1-CG 4.03Å; V104-M108 WeakPolarHBondContact O-CG 3.34Å; V104-M108 PolarHBondContact O-N 2.92Å; V104-L304 HydrophobicContact CB-CB 4.42Å; V104-L304 HydrophobicContact CB-CD1 4.44Å; V104-L304 HydrophobicContact CG1-CB 4.07Å; V104-L304 HydrophobicContact CG1-CD1 4.04Å; V104-S305 VanDerWaalsContact CG2-OG 3.27Å; V104-S305 WeakPolarHBondContact CG2-OG 3.49Å; V104-P310 HydrophobicContact CG2-CG 3.5Å; V104-E318 HydrophobicContact CG1-CB 3.96Å; V104-E318 HydrophobicContact CG1-CG 4.02Å |
| 105 | G | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 3.7 Ų | 3.7 | 1% | 0.01 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -58 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A96 A103 Q107 M108 V109 L304 | A96-G105 WeakPolarHBondContact CB-O 3.23Å; A103-G105 PolarHBondContact O-N 3.47Å; G105-Q107 VanDerWaalsContact C-N 3.29Å; G105-Q107 PolarHBondContact O-N 2.75Å; G105-M108 PolarHBondContact O-N 3.41Å; G105-V109 WeakPolarHBondContact O-CG2 3.48Å; G105-V109 PolarHBondContact O-N 3.05Å; G105-L304 VanDerWaalsContact CA-CD1 3.43Å |
| 106 | R | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -52.5 | -50.7 | 176.4 | -176.5 | -172.1 | -179.9 | 90.8 | 3.7 | 110.7 | L36 N97 A103 V104 L110 P139 T140 F146 | L36-R106 VanDerWaalsContact O-CZ 3.3Å; L36-R106 PolarHBondContact O-NE 2.83Å; L36-R106 PolarHBondContact O-NH2 3.12Å; N97-R106 HydrophobicContact CB-CB 3.94Å; N97-R106 HydrophobicContact CB-CG 4.47Å; N97-R106 PolarHBondContact OD1-NH1 3.23Å; A103-R106 VanDerWaalsContact O-CB 3.23Å; A103-R106 WeakPolarHBondContact O-CB 2.99Å; A103-R106 PolarHBondContact O-N 2.83Å; V104-R106 VanDerWaalsContact C-N 3.26Å; V104-R106 PolarHBondContact O-N 3.12Å; R106-L110 WeakPolarHBondContact O-CG 3.37Å; R106-L110 PolarHBondContact O-N 3.49Å; R106-P139 VanDerWaalsContact CA-O 3.29Å; R106-P139 WeakPolarHBondContact CA-O 3.17Å; R106-P139 WeakPolarHBondContact CG-O 3.23Å; R106-T140 PolarHBondContact NH1-OG1 2.94Å; R106-F146 VanDerWaalsContact CD-CE2 3.45Å; R106-F146 VanDerWaalsContact CZ-CD1 3.47Å |
| 107 | Q | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 3.6 Ų | 3.6 | 2% | 0.019 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -77.7 | -33.4 | -177.1 | -160.5 | 64.3 | 44 | 0 | 0 | 112.6 | H34 Y35 V104 G105 V109 L110 Y111 L315 | H34-Q107 PolarHBondContact O-OE1 3.38Å; Y35-Q107 HydrophobicContact CD1-CB 4.42Å; V104-Q107 PolarHBondContact O-N 3.49Å; V104-Q107 VanDerWaalsContact O-N 3.14Å; G105-Q107 VanDerWaalsContact C-N 3.29Å; G105-Q107 PolarHBondContact O-N 2.75Å; Q107-V109 VanDerWaalsContact C-N 3.3Å; Q107-V109 PolarHBondContact O-N 3.48Å; Q107-L110 PolarHBondContact O-N 2.99Å; Q107-Y111 HydrophobicContact CG-CD1 4.27Å; Q107-Y111 HydrophobicContact CG-CD2 3.98Å; Q107-Y111 HydrophobicContact CG-CE1 3.83Å; Q107-Y111 HydrophobicContact CG-CE2 3.49Å; Q107-Y111 VanDerWaalsContact CG-CE2 3.49Å; Q107-Y111 HydrophobicContact CG-CG 4.35Å; Q107-Y111 VanDerWaalsContact CG-CZ 3.41Å; Q107-Y111 PolarHBondContact O-N 3.3Å; Q107-L315 HydrophobicContact CB-CD2 3.81Å; Q107-L315 HydrophobicContact CG-CD1 4Å; Q107-L315 HydrophobicContact CG-CD2 4.02Å |
| 108 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 175.8 | -66.7 | -54.9 | 96.8 | 0 | 0 | 112.3 | V104 G105 Y111 M112 L304 L315 E318 W319 N322 L326 | V104-M108 HydrophobicContact CG1-CG 4.03Å; V104-M108 WeakPolarHBondContact O-CG 3.34Å; V104-M108 PolarHBondContact O-N 2.92Å; G105-M108 PolarHBondContact O-N 3.41Å; M108-Y111 HydrophobicContact CE-CD2 3.61Å; M108-Y111 HydrophobicContact CE-CE2 3.9Å; M108-M112 WeakPolarHBondContact O-CB 3.24Å; M108-M112 PolarHBondContact O-N 2.82Å; M108-L304 HydrophobicContact CG-CD1 4.1Å; M108-L315 HydrophobicContact CE-CD2 4.4Å; M108-E318 HydrophobicContact CE-CB 4.15Å; M108-E318 HydrophobicContact SD-CB 4.23Å; M108-W319 HydrophobicContact CE-CB 4.2Å; M108-W319 VanDerWaalsContact SD-CA 3.55Å; M108-W319 HydrophobicContact SD-CB 4.26Å; M108-W319 HydrophobicContact SD-CE3 4.28Å; M108-N322 HydrophobicContact SD-CB 4.25Å; M108-L326 HydrophobicContact CB-CD1 4.41Å |
| 109 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | L94 A96 G105 Q107 A113 F137 P139 F214 | L94-V109 HydrophobicContact CB-CG2 4.17Å; A96-V109 HydrophobicContact CB-CG2 3.83Å; G105-V109 WeakPolarHBondContact O-CG2 3.48Å; G105-V109 PolarHBondContact O-N 3.05Å; Q107-V109 VanDerWaalsContact C-N 3.3Å; Q107-V109 PolarHBondContact O-N 3.48Å; V109-A113 PolarHBondContact O-N 2.95Å; V109-A113 VanDerWaalsContact O-N 3.1Å; V109-F137 HydrophobicContact CG1-CB 3.77Å; V109-F137 HydrophobicContact CG1-CD1 4.08Å; V109-F137 HydrophobicContact CG1-CG 4.44Å; V109-P139 HydrophobicContact CB-CB 4.25Å; V109-P139 HydrophobicContact CG1-CB 4Å; V109-F214 HydrophobicContact CG2-CD2 3.74Å; V109-F214 HydrophobicContact CG2-CE2 3.9Å |
| 110 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.2 | -50.2 | 176.2 | -66.9 | 167.5 | 0 | 0 | 0 | 111.9 | L36 I41 L44 F45 R106 Q107 M112 A113 E114 P139 | L36-L110 HydrophobicContact CB-CD1 4.07Å; L36-L110 HydrophobicContact CD1-CD1 3.98Å; L36-L110 HydrophobicContact CG-CD1 4.08Å; I41-L110 HydrophobicContact CD1-CD1 4.08Å; I41-L110 HydrophobicContact CD1-CD2 4.41Å; I41-L110 HydrophobicContact CG1-CD1 3.97Å; I41-L110 HydrophobicContact CG1-CD2 4.06Å; I41-L110 HydrophobicContact CG2-CD2 4.14Å; L44-L110 HydrophobicContact CD2-CD2 4.11Å; F45-L110 HydrophobicContact CE1-CD2 3.7Å; F45-L110 HydrophobicContact CZ-CD2 3.91Å; R106-L110 WeakPolarHBondContact O-CG 3.37Å; R106-L110 PolarHBondContact O-N 3.49Å; Q107-L110 PolarHBondContact O-N 2.99Å; L110-M112 VanDerWaalsContact C-N 3.29Å; L110-M112 PolarHBondContact O-N 2.74Å; L110-A113 WeakPolarHBondContact O-CB 3.47Å; L110-A113 PolarHBondContact O-N 3.1Å; L110-A113 VanDerWaalsContact O-N 3.1Å; L110-E114 PolarHBondContact O-N 3.1Å; L110-P139 HydrophobicContact CD1-CB 4.33Å; L110-P139 HydrophobicContact CD2-CB 3.73Å; L110-P139 HydrophobicContact CD2-CG 3.72Å; L110-P139 HydrophobicContact CG-CB 3.71Å; L110-P139 HydrophobicContact CG-CG 4.28Å |
| 111 | Y | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | 178 | -67.4 | -23.1 | 0 | 0 | 0 | 112.7 | F29 L30 Q107 M108 Y115 L315 W319 | F29-Y111 HydrophobicContact CB-CD1 4.12Å; F29-Y111 HydrophobicContact CB-CE1 4.2Å; F29-Y111 AromaticContact CD2-CD1 3.42Å; F29-Y111 HydrophobicContact CD2-CD1 3.42Å; F29-Y111 VanDerWaalsContact CD2-CD1 3.42Å; F29-Y111 HydrophobicContact CD2-CD2 4.49Å; F29-Y111 AromaticContact CD2-CE1 3.89Å; F29-Y111 HydrophobicContact CD2-CE1 3.89Å; F29-Y111 AromaticContact CD2-CG 3.76Å; F29-Y111 HydrophobicContact CD2-CG 3.76Å; F29-Y111 HydrophobicContact CE2-CD1 4.17Å; F29-Y111 HydrophobicContact CE2-CG 4.05Å; F29-Y111 HydrophobicContact CG-CD1 4.07Å; F29-Y111 HydrophobicContact CG-CE1 4.5Å; F29-Y111 VanDerWaalsContact O-CE1 3.29Å; F29-Y111 WeakPolarHBondContact O-CE1 3.03Å; L30-Y111 HydrophobicContact CD2-CD2 4.08Å; L30-Y111 HydrophobicContact CD2-CE1 4.49Å; L30-Y111 HydrophobicContact CD2-CE2 3.78Å; Q107-Y111 HydrophobicContact CG-CD1 4.27Å; Q107-Y111 HydrophobicContact CG-CD2 3.98Å; Q107-Y111 HydrophobicContact CG-CE1 3.83Å; Q107-Y111 HydrophobicContact CG-CE2 3.49Å; Q107-Y111 VanDerWaalsContact CG-CE2 3.49Å; Q107-Y111 HydrophobicContact CG-CG 4.35Å; Q107-Y111 VanDerWaalsContact CG-CZ 3.41Å; Q107-Y111 PolarHBondContact O-N 3.3Å; M108-Y111 HydrophobicContact CE-CD2 3.61Å; M108-Y111 HydrophobicContact CE-CE2 3.9Å; Y111-Y115 WeakPolarHBondContact O-CB 3.22Å; Y111-Y115 PolarHBondContact O-N 3.34Å; Y111-L315 HydrophobicContact CE2-CB 4.12Å; Y111-W319 HydrophobicContact CD2-CB 4.1Å; Y111-W319 HydrophobicContact CD2-CD2 4.42Å; Y111-W319 HydrophobicContact CD2-CE3 4.31Å; Y111-W319 HydrophobicContact CD2-CG 4.36Å; Y111-W319 HydrophobicContact CG-CE3 4.47Å |
| 112 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 174.3 | -175 | 54.4 | 67.4 | 0 | 0 | 111.9 | L94 M108 L110 Y115 L116 F137 W319 L326 L327 L330 | L94-M112 HydrophobicContact CD1-CG 4.25Å; M108-M112 WeakPolarHBondContact O-CB 3.24Å; M108-M112 PolarHBondContact O-N 2.82Å; L110-M112 VanDerWaalsContact C-N 3.29Å; L110-M112 PolarHBondContact O-N 2.74Å; M112-Y115 HydrophobicContact SD-CD1 4.24Å; M112-L116 HydrophobicContact CG-CD1 3.82Å; M112-L116 HydrophobicContact CG-CG 4.32Å; M112-L116 WeakPolarHBondContact O-CB 3.31Å; M112-L116 VanDerWaalsContact O-CG 3.24Å; M112-L116 WeakPolarHBondContact O-CG 3.39Å; M112-L116 PolarHBondContact O-N 2.89Å; M112-L116 HydrophobicContact SD-CD1 3.69Å; M112-L116 HydrophobicContact SD-CD2 4.19Å; M112-L116 HydrophobicContact SD-CG 3.69Å; M112-F137 HydrophobicContact CB-CE1 4.08Å; M112-F137 HydrophobicContact CG-CE1 3.71Å; M112-F137 HydrophobicContact CG-CZ 4.4Å; M112-W319 HydrophobicContact CB-CH2 4.39Å; M112-W319 HydrophobicContact CB-CZ3 4.16Å; M112-W319 HydrophobicContact CE-CH2 3.73Å; M112-W319 HydrophobicContact CE-CZ3 3.89Å; M112-W319 HydrophobicContact SD-CH2 4.26Å; M112-L326 HydrophobicContact CE-CB 3.29Å; M112-L326 HydrophobicContact CE-CD1 3.77Å; M112-L326 HydrophobicContact CE-CG 4.14Å; M112-L327 HydrophobicContact CE-CD2 4.22Å; M112-L327 HydrophobicContact CE-CG 4.02Å; M112-L327 HydrophobicContact SD-CD2 4.03Å; M112-L327 HydrophobicContact SD-CG 4.49Å; M112-L330 HydrophobicContact CG-CD1 4.42Å; M112-L330 HydrophobicContact SD-CD1 4.41Å |
| 113 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.8 | -48.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F45 L73 L75 V109 L110 L116 A117 F137 | F45-A113 HydrophobicContact CE1-CB 4.39Å; L73-A113 HydrophobicContact CD2-CB 4.02Å; L75-A113 WeakPolarHBondContact CD1-O 3.5Å; V109-A113 PolarHBondContact O-N 2.95Å; V109-A113 VanDerWaalsContact O-N 3.1Å; L110-A113 WeakPolarHBondContact O-CB 3.47Å; L110-A113 PolarHBondContact O-N 3.1Å; L110-A113 VanDerWaalsContact O-N 3.1Å; A113-L116 PolarHBondContact O-N 3.33Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.43Å; A113-F137 HydrophobicContact CB-CB 4.23Å; A113-F137 HydrophobicContact CB-CD1 3.97Å; A113-F137 HydrophobicContact CB-CD2 3.95Å; A113-F137 HydrophobicContact CB-CE1 4.38Å; A113-F137 HydrophobicContact CB-CE2 4.38Å; A113-F137 HydrophobicContact CB-CG 3.75Å |
| 114 | E | 98.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 177.2 | -70.9 | -177.9 | -98.6 | 0 | 0 | 112 | F29 L44 L48 L110 L116 A117 T118 | F29-E114 WeakPolarHBondContact CB-OE2 3.06Å; F29-E114 HydrophobicContact CD1-CB 3.91Å; F29-E114 HydrophobicContact CE1-CB 4.4Å; F29-E114 HydrophobicContact CG-CB 4.36Å; L44-E114 HydrophobicContact CD1-CG 3.95Å; L44-E114 HydrophobicContact CD2-CG 4Å; L44-E114 WeakPolarHBondContact CD2-OE1 3.49Å; L44-E114 HydrophobicContact CG-CG 4.41Å; L48-E114 HydrophobicContact CD1-CG 4.11Å; L110-E114 PolarHBondContact O-N 3.1Å; E114-L116 PolarHBondContact O-N 3.45Å; E114-A117 PolarHBondContact O-N 2.99Å; E114-T118 WeakPolarHBondContact O-CB 3.02Å; E114-T118 VanDerWaalsContact O-CG2 3.27Å; E114-T118 WeakPolarHBondContact O-CG2 3.41Å; E114-T118 PolarHBondContact O-N 2.87Å; E114-T118 PolarHBondContact O-OG1 3.21Å |
| 115 | Y | 98.6 | Very high | 97.1 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 177.9 | 176 | -102.7 | 0 | 0 | 0 | 111.3 | D27 F29 Y111 M112 A117 T118 H119 D123 V126 W319 L327 | D27-Y115 WeakPolarHBondContact OD1-CD2 3.38Å; F29-Y115 HydrophobicContact CZ-CD2 4.36Å; Y111-Y115 WeakPolarHBondContact O-CB 3.22Å; Y111-Y115 PolarHBondContact O-N 3.34Å; M112-Y115 HydrophobicContact SD-CD1 4.24Å; Y115-A117 PolarHBondContact O-N 3.33Å; Y115-T118 PolarHBondContact O-OG1 3.4Å; Y115-H119 AromaticContact CD2-CE1 3.5Å; Y115-H119 VanDerWaalsContact CD2-CE1 3.5Å; Y115-H119 WeakPolarHBondContact CD2-CE1 3.49Å; Y115-H119 AromaticContact CD2-CG 3.85Å; Y115-H119 AromaticContact CD2-ND1 3.47Å; Y115-H119 WeakPolarHBondContact CD2-ND1 3.38Å; Y115-H119 AromaticContact CD2-NE2 3.85Å; Y115-H119 HydrophobicContact CE2-CB 4.32Å; Y115-H119 AromaticContact CE2-CD2 3.48Å; Y115-H119 VanDerWaalsContact CE2-CD2 3.48Å; Y115-H119 WeakPolarHBondContact CE2-CD2 3.24Å; Y115-H119 AromaticContact CE2-CE1 3.64Å; Y115-H119 AromaticContact CE2-CG 3.59Å; Y115-H119 AromaticContact CE2-ND1 3.69Å; Y115-H119 AromaticContact CE2-NE2 3.48Å; Y115-H119 WeakPolarHBondContact CE2-NE2 3.49Å; Y115-H119 VanDerWaalsContact O-CB 3.22Å; Y115-H119 WeakPolarHBondContact O-CB 3.28Å; Y115-H119 PolarHBondContact O-N 3.41Å; Y115-H119 PolarHBondContact O-ND1 3.01Å; Y115-H119 VanDerWaalsContact O-ND1 3.07Å; Y115-D123 PolarHBondContact OH-OD2 3.27Å; Y115-D123 VanDerWaalsContact OH-OD2 3.14Å; Y115-V126 HydrophobicContact CD1-CG2 4.45Å; Y115-V126 HydrophobicContact CE1-CG2 3.65Å; Y115-W319 HydrophobicContact CD1-CH2 4.39Å; Y115-W319 HydrophobicContact CD1-CZ2 4.4Å; Y115-W319 HydrophobicContact CD2-CZ2 4.02Å; Y115-W319 HydrophobicContact CG-CH2 4.02Å; Y115-W319 AromaticContact CG-CZ2 3.76Å; Y115-W319 HydrophobicContact CG-CZ2 3.76Å; Y115-L327 HydrophobicContact CE1-CD1 4.14Å; Y115-L327 HydrophobicContact CE1-CD2 4.32Å |
| 116 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.3 | -36.7 | -177.3 | -69.6 | 171.9 | 0 | 0 | 0 | 112.6 | L75 M112 A113 E114 Y120 V126 L129 L130 I135 F137 L327 L330 | L75-L116 HydrophobicContact CD1-CB 3.86Å; M112-L116 HydrophobicContact CG-CD1 3.82Å; M112-L116 HydrophobicContact CG-CG 4.32Å; M112-L116 WeakPolarHBondContact O-CB 3.31Å; M112-L116 VanDerWaalsContact O-CG 3.24Å; M112-L116 WeakPolarHBondContact O-CG 3.39Å; M112-L116 PolarHBondContact O-N 2.89Å; M112-L116 HydrophobicContact SD-CD1 3.69Å; M112-L116 HydrophobicContact SD-CD2 4.19Å; M112-L116 HydrophobicContact SD-CG 3.69Å; A113-L116 PolarHBondContact O-N 3.33Å; E114-L116 PolarHBondContact O-N 3.45Å; L116-Y120 PolarHBondContact O-N 2.87Å; L116-V126 HydrophobicContact CB-CG1 4.38Å; L116-V126 HydrophobicContact CD2-CB 4.42Å; L116-V126 HydrophobicContact CD2-CG1 3.8Å; L116-V126 HydrophobicContact CD2-CG2 4.07Å; L116-V126 VanDerWaalsContact O-CG1 3.27Å; L116-V126 WeakPolarHBondContact O-CG1 3.38Å; L116-L129 HydrophobicContact CD2-CD2 4.1Å; L116-L130 HydrophobicContact CB-CD1 4.23Å; L116-I135 HydrophobicContact CD1-CD1 3.96Å; L116-F137 HydrophobicContact CD1-CE1 4.24Å; L116-F137 HydrophobicContact CD1-CZ 3.59Å; L116-L327 HydrophobicContact CD2-CD2 3.94Å; L116-L330 HydrophobicContact CD1-CD1 4.33Å |
| 117 | A | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.2 | -50.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L48 Y52 L75 A113 E114 Y115 H119 | L48-A117 HydrophobicContact CD2-CB 4.03Å; Y52-A117 HydrophobicContact CD2-CB 3.94Å; Y52-A117 WeakPolarHBondContact CE1-O 3.11Å; Y52-A117 HydrophobicContact CE2-CB 4.14Å; Y52-A117 HydrophobicContact CG-CB 4.37Å; L75-A117 HydrophobicContact CD1-CB 4.28Å; L75-A117 HydrophobicContact CD2-CB 4.47Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.43Å; E114-A117 PolarHBondContact O-N 2.99Å; Y115-A117 PolarHBondContact O-N 3.33Å; A117-H119 PolarHBondContact O-N 2.98Å |
| 118 | T | 96.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.7 | -31.3 | -175.1 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | Y52 E114 Y115 | Y52-T118 HydrophobicContact CE2-CG2 4.36Å; Y52-T118 WeakPolarHBondContact OH-CA 3.35Å; E114-T118 WeakPolarHBondContact O-CB 3.02Å; E114-T118 VanDerWaalsContact O-CG2 3.27Å; E114-T118 WeakPolarHBondContact O-CG2 3.41Å; E114-T118 PolarHBondContact O-N 2.87Å; E114-T118 PolarHBondContact O-OG1 3.21Å; Y115-T118 PolarHBondContact O-OG1 3.4Å |
| 119 | H | 96.2 | Very high | 96.4 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 12% | 0.116 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 5 | -176.9 | -67.2 | 65.1 | 0 | 0 | 0 | 114 | D27 Y115 A117 D121 G122 D123 V126 | D27-H119 IonicContact OD1-CE1 3.23Å; D27-H119 PolarHBondContact OD1-CE1 2.73Å; D27-H119 VanDerWaalsContact OD1-CE1 3.23Å; D27-H119 IonicContact OD1-NE2 3.51Å; Y115-H119 AromaticContact CD2-CE1 3.5Å; Y115-H119 VanDerWaalsContact CD2-CE1 3.5Å; Y115-H119 WeakPolarHBondContact CD2-CE1 3.49Å; Y115-H119 AromaticContact CD2-CG 3.85Å; Y115-H119 AromaticContact CD2-ND1 3.47Å; Y115-H119 WeakPolarHBondContact CD2-ND1 3.38Å; Y115-H119 AromaticContact CD2-NE2 3.85Å; Y115-H119 HydrophobicContact CE2-CB 4.32Å; Y115-H119 AromaticContact CE2-CD2 3.48Å; Y115-H119 VanDerWaalsContact CE2-CD2 3.48Å; Y115-H119 WeakPolarHBondContact CE2-CD2 3.24Å; Y115-H119 AromaticContact CE2-CE1 3.64Å; Y115-H119 AromaticContact CE2-CG 3.59Å; Y115-H119 AromaticContact CE2-ND1 3.69Å; Y115-H119 AromaticContact CE2-NE2 3.48Å; Y115-H119 WeakPolarHBondContact CE2-NE2 3.49Å; Y115-H119 VanDerWaalsContact O-CB 3.22Å; Y115-H119 WeakPolarHBondContact O-CB 3.28Å; Y115-H119 PolarHBondContact O-N 3.41Å; Y115-H119 PolarHBondContact O-ND1 3.01Å; Y115-H119 VanDerWaalsContact O-ND1 3.07Å; A117-H119 PolarHBondContact O-N 2.98Å; H119-D121 PolarHBondContact O-N 3.24Å; H119-G122 PolarHBondContact O-N 3.24Å; H119-D123 HydrophobicContact CB-CB 4.17Å; H119-D123 WeakPolarHBondContact O-CB 3.24Å; H119-D123 PolarHBondContact O-N 3.17Å; H119-V126 HydrophobicContact CB-CG2 4.13Å |
| 120 | Y | 95.8 | Very high | 96.3 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 12% | 0.118 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -42.1 | -176.3 | 176.4 | -98.4 | 0 | 0 | 0 | 113.2 | L55 A77 L116 Q127 L130 N131 | L55-Y120 HydrophobicContact CD1-CD1 3.56Å; L55-Y120 HydrophobicContact CD1-CE1 4.14Å; L55-Y120 HydrophobicContact CD1-CG 3.79Å; L55-Y120 HydrophobicContact CD2-CD1 3.97Å; L55-Y120 HydrophobicContact CD2-CD2 3.72Å; L55-Y120 HydrophobicContact CD2-CE1 4.05Å; L55-Y120 HydrophobicContact CD2-CE2 3.8Å; L55-Y120 HydrophobicContact CD2-CG 3.79Å; L55-Y120 HydrophobicContact CG-CD1 4.33Å; L55-Y120 HydrophobicContact CG-CG 4.45Å; A77-Y120 HydrophobicContact CB-CE2 3.72Å; A77-Y120 WeakPolarHBondContact CB-OH 3.49Å; L116-Y120 PolarHBondContact O-N 2.87Å; Y120-Q127 HydrophobicContact CD2-CB 4.33Å; Y120-Q127 HydrophobicContact CD2-CG 4.33Å; Y120-Q127 HydrophobicContact CE2-CB 4.2Å; Y120-Q127 HydrophobicContact CE2-CG 3.76Å; Y120-L130 HydrophobicContact CD2-CB 3.96Å; Y120-L130 HydrophobicContact CD2-CD1 3.84Å; Y120-L130 HydrophobicContact CD2-CG 4.43Å; Y120-L130 HydrophobicContact CE2-CB 4.01Å; Y120-N131 PolarHBondContact OH-OD1 3.23Å; Y120-N131 VanDerWaalsContact OH-OD1 3.07Å |
| 121 | D | 91.6 | Very high | 96.1 | Very high | 134 Ų | 134 | 37.7 Ų | 37.7 | 72% | 0.717 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -17.4 | -179 | -70.6 | -32.1 | 0 | 0 | 0 | 113.3 | H119 | H119-D121 PolarHBondContact O-N 3.24Š|
| 122 | G | 91.4 | Very high | 95.9 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 59% | 0.588 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -25.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H119 | H119-G122 PolarHBondContact O-N 3.24Š|
| 123 | D | 95.2 | Very high | 95.8 | Very high | 35 Ų | 35 | 39.3 Ų | 39.3 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | trans | -114.5 | 108.2 | -177.8 | -175.3 | -9.3 | 0 | 0 | 0 | 111.5 | Y115 H119 K125 V126 Q127 | Y115-D123 PolarHBondContact OH-OD2 3.27Å; Y115-D123 VanDerWaalsContact OH-OD2 3.14Å; H119-D123 HydrophobicContact CB-CB 4.17Å; H119-D123 WeakPolarHBondContact O-CB 3.24Å; H119-D123 PolarHBondContact O-N 3.17Å; D123-K125 PolarHBondContact O-N 2.98Å; D123-K125 VanDerWaalsContact OD1-CB 3.28Å; D123-K125 WeakPolarHBondContact OD1-CB 3.27Å; D123-K125 PolarHBondContact OD1-N 3.28Å; D123-V126 HydrophobicContact CB-CB 4.03Å; D123-V126 HydrophobicContact CB-CG2 3.86Å; D123-V126 PolarHBondContact O-N 3.44Å; D123-Q127 PolarHBondContact O-N 3.33Å | ||
| 124 | P | 94.8 | Very high | 95.8 | Very high | 98 Ų | 98 | 40.2 Ų | 40.2 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -55.7 | -26.5 | 177.5 | -26.4 | 34.5 | 0 | 0 | 0 | 114.3 | A128 | P124-A128 VanDerWaalsContact O-CB 3.24Å; P124-A128 WeakPolarHBondContact O-CB 3.45Å; P124-A128 PolarHBondContact O-N 3.49Å |
| 125 | K | 94.9 | Very high | 95.8 | Very high | 139 Ų | 139 | 38.7 Ų | 38.7 | 60% | 0.604 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -74.9 | -35.6 | 177.2 | -66.6 | 174.3 | -177.8 | 170.4 | 0 | 111.9 | D123 L129 | D123-K125 PolarHBondContact O-N 2.98Å; D123-K125 VanDerWaalsContact OD1-CB 3.28Å; D123-K125 WeakPolarHBondContact OD1-CB 3.27Å; D123-K125 PolarHBondContact OD1-N 3.28Å; K125-L129 WeakPolarHBondContact O-CB 3.49Å; K125-L129 PolarHBondContact O-N 3.25Å |
| 126 | V | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.1 | -45.7 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 109.4 | Y115 L116 H119 D123 A128 L129 L130 | Y115-V126 HydrophobicContact CD1-CG2 4.45Å; Y115-V126 HydrophobicContact CE1-CG2 3.65Å; L116-V126 HydrophobicContact CB-CG1 4.38Å; L116-V126 HydrophobicContact CD2-CB 4.42Å; L116-V126 HydrophobicContact CD2-CG1 3.8Å; L116-V126 HydrophobicContact CD2-CG2 4.07Å; L116-V126 VanDerWaalsContact O-CG1 3.27Å; L116-V126 WeakPolarHBondContact O-CG1 3.38Å; H119-V126 HydrophobicContact CB-CG2 4.13Å; D123-V126 HydrophobicContact CB-CB 4.03Å; D123-V126 HydrophobicContact CB-CG2 3.86Å; D123-V126 PolarHBondContact O-N 3.44Å; V126-A128 PolarHBondContact O-N 2.75Å; V126-L129 WeakPolarHBondContact O-CB 3.35Å; V126-L129 PolarHBondContact O-N 2.91Å; V126-L129 VanDerWaalsContact O-N 3.12Å; V126-L130 HydrophobicContact CG1-CD1 4.26Å; V126-L130 PolarHBondContact O-N 3.23Å |
| 127 | Q | 95.1 | Very high | 95.9 | Very high | 75 Ų | 75 | 38 Ų | 38 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.1 | -49 | 175.7 | -170.4 | 175.9 | 77.3 | 0 | 0 | 111.8 | Y120 D123 L129 L130 N131 | Y120-Q127 HydrophobicContact CD2-CB 4.33Å; Y120-Q127 HydrophobicContact CD2-CG 4.33Å; Y120-Q127 HydrophobicContact CE2-CB 4.2Å; Y120-Q127 HydrophobicContact CE2-CG 3.76Å; D123-Q127 PolarHBondContact O-N 3.33Å; Q127-L129 VanDerWaalsContact C-N 3.27Å; Q127-L129 PolarHBondContact O-N 3.34Å; Q127-L130 PolarHBondContact O-N 3.14Å; Q127-N131 VanDerWaalsContact O-CB 3.24Å; Q127-N131 WeakPolarHBondContact O-CB 3.39Å; Q127-N131 PolarHBondContact O-N 2.83Å; Q127-N131 PolarHBondContact O-ND2 2.95Å |
| 128 | A | 93.9 | Very high | 96 | Very high | 35 Ų | 35 | 38 Ų | 38 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.5 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P124 V126 L132 | P124-A128 VanDerWaalsContact O-CB 3.24Å; P124-A128 WeakPolarHBondContact O-CB 3.45Å; P124-A128 PolarHBondContact O-N 3.49Å; V126-A128 PolarHBondContact O-N 2.75Å; A128-L132 WeakPolarHBondContact O-CG 3.24Å |
| 129 | L | 96.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68 | -52.6 | 177.4 | 179 | 60.7 | 0 | 0 | 0 | 111.7 | L116 K125 V126 Q127 N131 L132 T133 I135 L327 L330 R331 | L116-L129 HydrophobicContact CD2-CD2 4.1Å; K125-L129 WeakPolarHBondContact O-CB 3.49Å; K125-L129 PolarHBondContact O-N 3.25Å; V126-L129 WeakPolarHBondContact O-CB 3.35Å; V126-L129 PolarHBondContact O-N 2.91Å; V126-L129 VanDerWaalsContact O-N 3.12Å; Q127-L129 VanDerWaalsContact C-N 3.27Å; Q127-L129 PolarHBondContact O-N 3.34Å; L129-N131 VanDerWaalsContact C-N 3.3Å; L129-N131 PolarHBondContact O-N 3.03Å; L129-L132 PolarHBondContact O-N 3.42Å; L129-L132 VanDerWaalsContact O-N 3.13Å; L129-T133 WeakPolarHBondContact O-CB 3.43Å; L129-T133 PolarHBondContact O-N 2.89Å; L129-T133 PolarHBondContact O-OG1 3.01Å; L129-I135 HydrophobicContact CD2-CD1 4.06Å; L129-I135 HydrophobicContact CG-CD1 4.07Å; L129-L327 HydrophobicContact CD2-CD2 4.14Å; L129-L330 HydrophobicContact CD1-CB 4.28Å; L129-L330 HydrophobicContact CD2-CB 4.19Å; L129-L330 HydrophobicContact CD2-CD1 4.13Å; L129-R331 HydrophobicContact CD1-CG 4.3Å |
| 130 | L | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.2 | -23.5 | -177.6 | -68.5 | -174.6 | 0 | 0 | 0 | 113.5 | L55 L75 A77 L116 Y120 V126 Q127 L132 I135 | L55-L130 HydrophobicContact CD2-CD1 4.16Å; L75-L130 HydrophobicContact CB-CD2 3.93Å; A77-L130 HydrophobicContact CB-CB 4.38Å; A77-L130 WeakPolarHBondContact CB-O 3.07Å; A77-L130 PolarHBondContact N-O 3.48Å; L116-L130 HydrophobicContact CB-CD1 4.23Å; Y120-L130 HydrophobicContact CD2-CB 3.96Å; Y120-L130 HydrophobicContact CD2-CD1 3.84Å; Y120-L130 HydrophobicContact CD2-CG 4.43Å; Y120-L130 HydrophobicContact CE2-CB 4.01Å; V126-L130 HydrophobicContact CG1-CD1 4.26Å; V126-L130 PolarHBondContact O-N 3.23Å; Q127-L130 PolarHBondContact O-N 3.14Å; L130-L132 VanDerWaalsContact C-N 3.27Å; L130-L132 PolarHBondContact O-N 2.95Å; L130-I135 HydrophobicContact CD2-CD1 3.85Å; L130-I135 HydrophobicContact CD2-CG1 4.41Å |
| 131 | N | 94.2 | Very high | 96.3 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 32% | 0.316 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.9 | -33.2 | 170.2 | -77.1 | -15.1 | 0 | 0 | 0 | 112.6 | A77 R89 Y120 Q127 L129 | A77-N131 WeakPolarHBondContact CB-OD1 3.34Å; R89-N131 PolarHBondContact NE-O 2.93Å; R89-N131 PolarHBondContact NH2-O 2.88Å; Y120-N131 PolarHBondContact OH-OD1 3.23Å; Y120-N131 VanDerWaalsContact OH-OD1 3.07Å; Q127-N131 VanDerWaalsContact O-CB 3.24Å; Q127-N131 WeakPolarHBondContact O-CB 3.39Å; Q127-N131 PolarHBondContact O-N 2.83Å; Q127-N131 PolarHBondContact O-ND2 2.95Å; L129-N131 VanDerWaalsContact C-N 3.3Å; L129-N131 PolarHBondContact O-N 3.03Å |
| 132 | L | 94.8 | Very high | 96.7 | Very high | 38 Ų | 38 | 26.9 Ų | 26.9 | 20% | 0.199 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -105.5 | -11.7 | -171.7 | -62.3 | 177.4 | 0 | 0 | 0 | 113.2 | R89 P90 A128 L129 L130 H334 E406 | R89-L132 WeakPolarHBondContact CG-O 3.48Å; P90-L132 WeakPolarHBondContact CD-O 3.36Å; A128-L132 WeakPolarHBondContact O-CG 3.24Å; L129-L132 PolarHBondContact O-N 3.42Å; L129-L132 VanDerWaalsContact O-N 3.13Å; L130-L132 VanDerWaalsContact C-N 3.27Å; L130-L132 PolarHBondContact O-N 2.95Å; L132-H334 PolarHBondContact O-CE1 2.67Å; L132-H334 VanDerWaalsContact O-CE1 3.25Å; L132-E406 HydrophobicContact CD1-CG 3.75Å; L132-E406 HydrophobicContact CD2-CG 4.05Å; L132-E406 HydrophobicContact CG-CG 4.42Å |
| 133 | T | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -136 | 140.1 | -172.2 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | V92 L129 I135 H334 | V92-T133 HydrophobicContact CB-CG2 4.24Å; V92-T133 HydrophobicContact CG2-CG2 3.64Å; L129-T133 WeakPolarHBondContact O-CB 3.43Å; L129-T133 PolarHBondContact O-N 2.89Å; L129-T133 PolarHBondContact O-OG1 3.01Å; T133-I135 HydrophobicContact CG2-CD1 4.33Å; T133-I135 HydrophobicContact CG2-CG1 3.56Å; T133-H334 PolarHBondContact OG1-CE1 3.07Å; T133-H334 PolarHBondContact OG1-NE2 2.61Å | ||
| 134 | E | 98 | Very high | 97.2 | Very high | 20 Ų | 20 | 22.6 Ų | 22.6 | 9% | 0.093 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.9 | 161.5 | 178.7 | 176.9 | 148.9 | 0 | 0 | 108.5 | P90 M91 V92 H136 K206 | P90-E134 PolarHBondContact O-N 2.98Å; P90-E134 VanDerWaalsContact O-N 3.08Å; M91-E134 CarbonylContact C-O 3.59Å; M91-E134 WeakPolarHBondContact CA-O 3.4Å; M91-E134 WeakPolarHBondContact CE-OE2 3.36Å; M91-E134 HydrophobicContact CG-CB 4.14Å; M91-E134 HydrophobicContact CG-CG 4.33Å; V92-E134 PolarHBondContact N-O 3.03Å; E134-H136 IonicContact OE1-CE1 3.84Å; E134-H136 PolarHBondContact OE1-CE1 3.27Å; E134-H136 VanDerWaalsContact OE1-CE1 3.26Å; E134-H136 IonicContact OE1-NE2 3.93Å; E134-H136 PolarHBondContact OE1-NE2 3.09Å; E134-K206 IonicContact OE1-NZ 2.76Å; E134-K206 PolarHBondContact OE1-NZ 3.07Å |
| 135 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.1 | -175.5 | -49.2 | 171.6 | 0 | 0 | 0 | 109.3 | A74 L75 V92 L116 L129 L130 T133 F137 L330 | A74-I135 CarbonylContact C-O 3.54Å; A74-I135 WeakPolarHBondContact CA-O 3.27Å; L75-I135 PolarHBondContact N-O 3.47Å; L75-I135 PolarHBondContact O-N 2.77Å; V92-I135 WeakPolarHBondContact O-CA 3.32Å; L116-I135 HydrophobicContact CD1-CD1 3.96Å; L129-I135 HydrophobicContact CD2-CD1 4.06Å; L129-I135 HydrophobicContact CG-CD1 4.07Å; L130-I135 HydrophobicContact CD2-CD1 3.85Å; L130-I135 HydrophobicContact CD2-CG1 4.41Å; T133-I135 HydrophobicContact CG2-CD1 4.33Å; T133-I135 HydrophobicContact CG2-CG1 3.56Å; I135-F137 HydrophobicContact CB-CE2 3.82Å; I135-F137 HydrophobicContact CB-CZ 3.8Å; I135-F137 HydrophobicContact CG2-CD2 4.43Å; I135-F137 HydrophobicContact CG2-CE1 3.83Å; I135-F137 HydrophobicContact CG2-CE2 3.63Å; I135-F137 HydrophobicContact CG2-CZ 3.26Å; I135-F137 WeakPolarHBondContact O-CE2 3.36Å; I135-L330 HydrophobicContact CD1-CD1 4.03Å; I135-L330 HydrophobicContact CD1-CD2 4.12Å; I135-L330 HydrophobicContact CG1-CD2 4.35Å; I135-L330 HydrophobicContact CG2-CD2 3.74Å |
| 136 | H | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129 | 176.9 | -68 | -90.7 | 0 | 0 | 0 | 111.6 | Y59 L73 V92 K93 L94 E134 W202 K206 F208 | Y59-H136 AromaticContact CE1-ND1 3.79Å; Y59-H136 AromaticContact CZ-ND1 3.65Å; Y59-H136 PolarHBondContact OH-ND1 3.47Å; L73-H136 CarbonylContact O-C 3.57Å; L73-H136 WeakPolarHBondContact O-CA 3.35Å; V92-H136 PolarHBondContact O-N 3.3Å; K93-H136 CarbonylContact C-O 3.48Å; K93-H136 VanDerWaalsContact CA-O 3.26Å; K93-H136 WeakPolarHBondContact CA-O 3.37Å; K93-H136 HydrophobicContact CB-CB 4.01Å; L94-H136 PolarHBondContact N-O 3.07Å; E134-H136 IonicContact OE1-CE1 3.84Å; E134-H136 PolarHBondContact OE1-CE1 3.27Å; E134-H136 VanDerWaalsContact OE1-CE1 3.26Å; E134-H136 IonicContact OE1-NE2 3.93Å; E134-H136 PolarHBondContact OE1-NE2 3.09Å; H136-W202 HydrophobicContact CB-CH2 4.15Å; H136-W202 HydrophobicContact CB-CZ2 3.74Å; H136-K206 VanDerWaalsContact CE1-CE 3.47Å; H136-K206 WeakPolarHBondContact CE1-CE 3.34Å; H136-K206 PolarHBondContact CE1-NZ 2.84Å; H136-K206 PolarHBondContact NE2-NZ 3.43Å; H136-K206 VanDerWaalsContact NE2-NZ 3.15Å; H136-F208 HydrophobicContact CB-CE1 4.13Å; H136-F208 HydrophobicContact CB-CZ 4.49Å; H136-F208 AromaticContact CD2-CE1 3.41Å; H136-F208 VanDerWaalsContact CD2-CE1 3.41Å; H136-F208 WeakPolarHBondContact CD2-CE1 3.42Å; H136-F208 AromaticContact CD2-CZ 3.99Å; H136-F208 AromaticContact CG-CE1 3.85Å |
| 137 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.9 | 179.7 | -57.2 | -86.8 | 0 | 0 | 0 | 109.3 | F45 A72 L73 L75 L94 V109 M112 A113 L116 I135 | F45-F137 HydrophobicContact CZ-CB 4.36Å; A72-F137 CarbonylContact C-O 3.57Å; A72-F137 WeakPolarHBondContact CA-O 3.36Å; L73-F137 HydrophobicContact CB-CB 4.45Å; L73-F137 PolarHBondContact N-O 3.09Å; L73-F137 WeakPolarHBondContact O-CD2 3.27Å; L73-F137 PolarHBondContact O-N 3.34Å; L75-F137 HydrophobicContact CB-CE2 4Å; L75-F137 HydrophobicContact CD1-CD2 4.37Å; L75-F137 HydrophobicContact CD1-CE2 3.64Å; L75-F137 HydrophobicContact CD1-CZ 4.23Å; L75-F137 HydrophobicContact CG-CD2 4.22Å; L75-F137 HydrophobicContact CG-CE2 3.7Å; L94-F137 HydrophobicContact CB-CD1 4.44Å; L94-F137 HydrophobicContact CD1-CD1 4.3Å; L94-F137 HydrophobicContact CD1-CE1 3.95Å; V109-F137 HydrophobicContact CG1-CB 3.77Å; V109-F137 HydrophobicContact CG1-CD1 4.08Å; V109-F137 HydrophobicContact CG1-CG 4.44Å; M112-F137 HydrophobicContact CB-CE1 4.08Å; M112-F137 HydrophobicContact CG-CE1 3.71Å; M112-F137 HydrophobicContact CG-CZ 4.4Å; A113-F137 HydrophobicContact CB-CB 4.23Å; A113-F137 HydrophobicContact CB-CD1 3.97Å; A113-F137 HydrophobicContact CB-CD2 3.95Å; A113-F137 HydrophobicContact CB-CE1 4.38Å; A113-F137 HydrophobicContact CB-CE2 4.38Å; A113-F137 HydrophobicContact CB-CG 3.75Å; L116-F137 HydrophobicContact CD1-CE1 4.24Å; L116-F137 HydrophobicContact CD1-CZ 3.59Å; I135-F137 HydrophobicContact CB-CE2 3.82Å; I135-F137 HydrophobicContact CB-CZ 3.8Å; I135-F137 HydrophobicContact CG2-CD2 4.43Å; I135-F137 HydrophobicContact CG2-CE1 3.83Å; I135-F137 HydrophobicContact CG2-CE2 3.63Å; I135-F137 HydrophobicContact CG2-CZ 3.26Å; I135-F137 WeakPolarHBondContact O-CE2 3.36Å |
| 138 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 89.6 | 174.6 | -164.5 | 169.1 | 0 | 0 | 0 | 108.1 | I61 I70 L94 V95 A96 T140 C141 L199 W202 | I61-L138 HydrophobicContact CD1-CD1 3.53Å; I61-L138 HydrophobicContact CG1-CD1 4.27Å; I70-L138 HydrophobicContact CG2-CD1 4.3Å; I70-L138 HydrophobicContact CG2-CD2 4.03Å; I70-L138 HydrophobicContact CG2-CG 4.3Å; L94-L138 PolarHBondContact O-N 3.13Å; V95-L138 CarbonylContact C-O 3.2Å; V95-L138 WeakPolarHBondContact CA-O 3.39Å; V95-L138 HydrophobicContact CG1-CB 4.39Å; V95-L138 HydrophobicContact CG1-CD2 4.24Å; V95-L138 HydrophobicContact CG2-CB 4.34Å; A96-L138 PolarHBondContact N-O 3.29Å; L138-T140 VanDerWaalsContact C-N 3.26Å; L138-T140 VanDerWaalsContact CD2-O 3.26Å; L138-T140 WeakPolarHBondContact CD2-O 3.23Å; L138-T140 PolarHBondContact O-N 3.4Å; L138-C141 HydrophobicContact CD2-CB 4.49Å; L138-L199 HydrophobicContact CD1-CD2 3.73Å; L138-W202 HydrophobicContact CB-CH2 4.14Å; L138-W202 HydrophobicContact CB-CZ3 4.27Å; L138-W202 HydrophobicContact CD1-CE3 3.87Å; L138-W202 HydrophobicContact CD1-CH2 4.04Å; L138-W202 HydrophobicContact CD1-CZ3 3.51Å |
| 139 | P | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -71.6 | -20.3 | -170.5 | 28.5 | -36.3 | 0 | 0 | 0 | 113.3 | I41 F45 R106 V109 L110 | I41-P139 HydrophobicContact CD1-CB 4.23Å; I41-P139 HydrophobicContact CD1-CG 3.91Å; I41-P139 HydrophobicContact CG2-CG 3.71Å; F45-P139 HydrophobicContact CE2-CG 4.05Å; F45-P139 HydrophobicContact CZ-CG 3.81Å; R106-P139 VanDerWaalsContact CA-O 3.29Å; R106-P139 WeakPolarHBondContact CA-O 3.17Å; R106-P139 WeakPolarHBondContact CG-O 3.23Å; V109-P139 HydrophobicContact CB-CB 4.25Å; V109-P139 HydrophobicContact CG1-CB 4Å; L110-P139 HydrophobicContact CD1-CB 4.33Å; L110-P139 HydrophobicContact CD2-CB 3.73Å; L110-P139 HydrophobicContact CD2-CG 3.72Å; L110-P139 HydrophobicContact CG-CB 3.71Å; L110-P139 HydrophobicContact CG-CG 4.28Å | ||
| 140 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -147.9 | 113.4 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 113.3 | I41 I70 A96 N97 R106 L138 N142 P143 | I41-T140 HydrophobicContact CD1-CG2 3.99Å; I70-T140 WeakPolarHBondContact CG2-O 3.37Å; A96-T140 WeakPolarHBondContact O-CA 3.29Å; N97-T140 PolarHBondContact OD1-OG1 2.94Å; R106-T140 PolarHBondContact NH1-OG1 2.94Å; L138-T140 VanDerWaalsContact C-N 3.26Å; L138-T140 VanDerWaalsContact CD2-O 3.26Å; L138-T140 WeakPolarHBondContact CD2-O 3.23Å; L138-T140 PolarHBondContact O-N 3.4Å; T140-N142 PolarHBondContact OG1-N 2.85Å; T140-P143 HydrophobicContact CG2-CB 4.35Å | ||
| 141 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -77.3 | -29 | 167.5 | -71.3 | 0 | 0 | 0 | 0 | 112.5 | V95 A96 N97 I98 L138 P143 E195 L199 | V95-C141 WeakPolarHBondContact CG1-SG 3.31Å; A96-C141 PolarHBondContact O-N 2.98Å; N97-C141 PolarHBondContact O-N 2.9Å; I98-C141 HydrophobicContact CB-CB 3.91Å; I98-C141 HydrophobicContact CG1-CB 4.17Å; L138-C141 HydrophobicContact CD2-CB 4.49Å; C141-P143 WeakPolarHBondContact O-CD 3.17Å; C141-E195 WeakPolarHBondContact O-CG 3.3Å; C141-L199 HydrophobicContact CB-CD1 3.88Å; C141-L199 VanDerWaalsContact SG-CD1 3.59Å |
| 142 | N | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -125.2 | 69.6 | -172.5 | -173.3 | 4.8 | 0 | 0 | 0 | 112 | N97 I98 T140 D144 G145 F146 R163 G164 N165 L171 | N97-N142 VanDerWaalsContact O-CB 3.31Å; N97-N142 WeakPolarHBondContact O-CB 3.3Å; N97-N142 PolarHBondContact O-N 2.88Å; I98-N142 VanDerWaalsContact O-CB 3.26Å; I98-N142 WeakPolarHBondContact O-CB 3.18Å; I98-N142 PolarHBondContact O-ND2 3.07Å; T140-N142 PolarHBondContact OG1-N 2.85Å; N142-D144 PolarHBondContact O-N 3.37Å; N142-G145 PolarHBondContact O-N 3.4Å; N142-G145 WeakPolarHBondContact OD1-CA 3.47Å; N142-G145 PolarHBondContact OD1-N 2.95Å; N142-F146 PolarHBondContact O-N 3.02Å; N142-R163 PolarHBondContact ND2-O 3.4Å; N142-G164 PolarHBondContact ND2-O 3.08Å; N142-N165 PolarHBondContact ND2-N 3.34Å; N142-N165 WeakPolarHBondContact OD1-CA 3.41Å; N142-L171 HydrophobicContact CB-CD1 3.85Å | ||
| 143 | P | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.3 | -26.6 | -178.3 | 28.9 | -36.4 | 0 | 0 | 0 | 112.9 | N38 R68 T140 C141 A147 | N38-P143 HydrophobicContact CB-CB 4.37Å; N38-P143 WeakPolarHBondContact OD1-CB 3.11Å; R68-P143 HydrophobicContact CB-CB 4.11Å; R68-P143 HydrophobicContact CB-CG 3.88Å; T140-P143 HydrophobicContact CG2-CB 4.35Å; C141-P143 WeakPolarHBondContact O-CD 3.17Å; P143-A147 WeakPolarHBondContact O-CB 3.46Å; P143-A147 PolarHBondContact O-N 2.86Å; P143-A147 VanDerWaalsContact O-N 3.12Å |
| 144 | D | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.7 | -42.6 | 178.2 | -64.4 | -3.7 | 0 | 0 | 0 | 111.9 | S64 L65 E66 R68 N142 A147 K148 A166 | S64-D144 VanDerWaalsContact CB-CG 3.43Å; S64-D144 VanDerWaalsContact CB-OD1 3.28Å; S64-D144 WeakPolarHBondContact CB-OD1 3.23Å; S64-D144 WeakPolarHBondContact CB-OD2 3.28Å; S64-D144 PolarHBondContact OG-OD1 2.75Å; S64-D144 PolarHBondContact OG-OD2 3.29Å; S64-D144 VanDerWaalsContact OG-OD2 3.08Å; L65-D144 PolarHBondContact N-OD2 2.66Å; E66-D144 PolarHBondContact N-OD2 3.47Å; R68-D144 WeakPolarHBondContact CD-OD1 3.47Å; R68-D144 WeakPolarHBondContact CG-OD1 3.47Å; R68-D144 IonicContact NE-OD1 3.48Å; R68-D144 PolarHBondContact NE-OD1 3.39Å; N142-D144 PolarHBondContact O-N 3.37Å; D144-A147 PolarHBondContact O-N 3.44Å; D144-K148 PolarHBondContact O-N 3.38Å; D144-A166 HydrophobicContact CB-CB 3.88Å; D144-A166 WeakPolarHBondContact OD2-CB 3.5Å |
| 145 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N142 A147 K148 A149 G162 G164 | N142-G145 PolarHBondContact O-N 3.4Å; N142-G145 WeakPolarHBondContact OD1-CA 3.47Å; N142-G145 PolarHBondContact OD1-N 2.95Å; G145-A147 VanDerWaalsContact C-N 3.31Å; G145-A147 PolarHBondContact O-N 2.9Å; G145-K148 CarbonylContact O-C 3.54Å; G145-K148 PolarHBondContact O-N 3.42Å; G145-A149 PolarHBondContact O-N 3.09Å; G145-G162 CarbonylContact C-O 3.21Å; G145-G162 VanDerWaalsContact C-O 3.29Å; G145-G162 WeakPolarHBondContact CA-O 3.28Å; G145-G162 VanDerWaalsContact O-CA 3.22Å; G145-G162 WeakPolarHBondContact O-CA 3.24Å; G145-G164 WeakPolarHBondContact CA-O 3.15Å |
| 146 | F | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 177.2 | 178.4 | -96.2 | 0 | 0 | 0 | 112.5 | N97 G100 A103 R106 N142 K148 A149 Y309 | N97-F146 WeakPolarHBondContact OD1-CB 3.41Å; G100-F146 WeakPolarHBondContact O-CA 3.3Å; G100-F146 WeakPolarHBondContact O-CD2 3.39Å; A103-F146 HydrophobicContact CB-CE2 4.13Å; R106-F146 VanDerWaalsContact CD-CE2 3.45Å; R106-F146 VanDerWaalsContact CZ-CD1 3.47Å; N142-F146 PolarHBondContact O-N 3.02Å; F146-K148 PolarHBondContact O-N 2.86Å; F146-A149 PolarHBondContact O-N 3.15Å; F146-Y309 HydrophobicContact CD2-CE2 4.41Å; F146-Y309 HydrophobicContact CE2-CE1 4.42Å; F146-Y309 HydrophobicContact CE2-CE2 4.01Å; F146-Y309 AromaticContact CE2-CZ 3.63Å; F146-Y309 WeakPolarHBondContact CE2-OH 3.45Å; F146-Y309 WeakPolarHBondContact CZ-OH 3.36Å |
| 147 | A | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 35.8 Ų | 35.8 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.1 | -22.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | P143 D144 G145 | P143-A147 WeakPolarHBondContact O-CB 3.46Å; P143-A147 PolarHBondContact O-N 2.86Å; P143-A147 VanDerWaalsContact O-N 3.12Å; D144-A147 PolarHBondContact O-N 3.44Å; G145-A147 VanDerWaalsContact C-N 3.31Å; G145-A147 PolarHBondContact O-N 2.9Å |
| 148 | K | 98.4 | Very high | 98.6 | Very high | 84 Ų | 84 | 40.7 Ų | 40.7 | 37% | 0.365 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -96.9 | -16.8 | 177.4 | -67.7 | 173.6 | -175.4 | 164.9 | 0 | 113.2 | E66 D144 G145 F146 V161 | E66-K148 VanDerWaalsContact OE1-CE 3.29Å; E66-K148 WeakPolarHBondContact OE1-CE 3.37Å; E66-K148 IonicContact OE1-NZ 2.66Å; E66-K148 PolarHBondContact OE1-NZ 2.84Å; D144-K148 PolarHBondContact O-N 3.38Å; G145-K148 CarbonylContact O-C 3.54Å; G145-K148 PolarHBondContact O-N 3.42Å; F146-K148 PolarHBondContact O-N 2.86Å; K148-V161 HydrophobicContact CB-CG1 4.23Å |
| 149 | A | 98.5 | Very high | 98.5 | Very high | 17 Ų | 17 | 47 Ų | 47 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -71.8 | 165 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D101 G145 F146 Y309 | D101-A149 HydrophobicContact CB-CB 3.76Å; G145-A149 PolarHBondContact O-N 3.09Å; F146-A149 PolarHBondContact O-N 3.15Å; A149-Y309 HydrophobicContact CB-CD2 3.87Å; A149-Y309 HydrophobicContact CB-CE2 3.87Å |
| 150 | K | 98.5 | Very high | 98.4 | Very high | 128 Ų | 128 | 54.2 Ų | 54.2 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | trans | -128.9 | 122.1 | -174.7 | -171.8 | 178.2 | 179.3 | -175.8 | 0 | 111.3 | N153 L157 Y309 | K150-N153 WeakPolarHBondContact O-CB 3.34Å; K150-N153 PolarHBondContact O-N 3.17Å; K150-L157 HydrophobicContact CB-CD1 4.37Å; K150-Y309 VanDerWaalsContact C-CD2 3.42Å; K150-Y309 WeakPolarHBondContact O-CD2 3.41Å | ||
| 151 | E | 98.7 | Very high | 98.4 | Very high | 93 Ų | 93 | 56.8 Ų | 56.8 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 139.9 | 173.2 | -172.9 | -174.3 | 163.2 | 0 | 0 | 111.6 | Y35 N153 Y309 A311 A312 | Y35-E151 HydrophobicContact CD2-CG 4.36Å; Y35-E151 HydrophobicContact CE2-CG 4.14Å; E151-N153 VanDerWaalsContact C-N 3.33Å; E151-Y309 HydrophobicContact CB-CD1 4.08Å; E151-Y309 HydrophobicContact CB-CE1 3.72Å; E151-Y309 HydrophobicContact CG-CD1 4.12Å; E151-Y309 HydrophobicContact CG-CE1 3.9Å; E151-A311 WeakPolarHBondContact OE1-CA 3.49Å; E151-A312 PolarHBondContact OE1-N 3.28Å |
| 152 | G | 98.3 | Very high | 98.3 | Very high | 46 Ų | 46 | 57 Ų | 57 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -9.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C154 Y309 | G152-C154 PolarHBondContact O-N 3.19Å; G152-Y309 CarbonylContact C-O 3.15Å; G152-Y309 VanDerWaalsContact CA-O 3.24Å; G152-Y309 WeakPolarHBondContact CA-O 3.38Å; G152-Y309 PolarHBondContact N-O 2.8Å |
| 153 | N | 98.4 | Very high | 98.3 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | trans | -83.9 | 111.6 | 176.2 | -81.4 | 41.7 | 0 | 0 | 0 | 110.9 | K150 E151 E155 L157 Y309 | K150-N153 WeakPolarHBondContact O-CB 3.34Å; K150-N153 PolarHBondContact O-N 3.17Å; E151-N153 VanDerWaalsContact C-N 3.33Å; N153-E155 VanDerWaalsContact C-N 3.34Å; N153-L157 WeakPolarHBondContact ND2-CD2 3.32Å; N153-Y309 PolarHBondContact N-O 2.86Å; N153-Y309 WeakPolarHBondContact O-CA 3.45Å; N153-Y309 WeakPolarHBondContact O-CB 3.32Å; N153-Y309 PolarHBondContact O-N 3.17Å | ||
| 154 | C | 98.3 | Very high | 98.3 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -75.1 | -26.7 | 172.5 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | G152 C307 K308 | G152-C154 PolarHBondContact O-N 3.19Å; C154-C307 WeakPolarHBondContact CA-SG 3.25Å; C154-C307 HydrophobicContact CB-CB 3.71Å; C154-C307 WeakPolarHBondContact CB-SG 3.3Å; C154-C307 WeakPolarHBondContact SG-CB 3.49Å; C154-C307 CovalentContact SG-SG 2.05Å; C154-C307 PolarHBondContact SG-SG 3.12Å; C154-K308 WeakPolarHBondContact O-CB 3.45Å; C154-K308 VanDerWaalsContact O-CG 3.28Å; C154-K308 WeakPolarHBondContact O-CG 3.41Å; C154-K308 PolarHBondContact O-N 3.13Å |
| 155 | E | 98.4 | Very high | 98.3 | Very high | 137 Ų | 137 | 58.9 Ų | 58.9 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -109 | 152.8 | 174.7 | -60.5 | -55.3 | 145 | 0 | 0 | 110.8 | N153 | N153-E155 VanDerWaalsContact C-N 3.34Š|
| 156 | S | 98.3 | Very high | 98.3 | Very high | 23 Ų | 23 | 60.3 Ų | 60.3 | 16% | 0.161 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 146.1 | 173.1 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | D101 K308 | D101-S156 VanDerWaalsContact OD2-CA 3.32Å; D101-S156 WeakPolarHBondContact OD2-CA 3.37Å; D101-S156 WeakPolarHBondContact OD2-CB 3.34Å; D101-S156 PolarHBondContact OD2-OG 3.32Å; S156-K308 PolarHBondContact OG-NZ 3.48Å |
| 157 | L | 98.2 | Very high | 98.2 | Very high | 46 Ų | 46 | 62 Ų | 62 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 160.4 | 173.6 | -72.4 | 168.7 | 0 | 0 | 0 | 111.1 | K150 N153 N159 Y160 V161 | K150-L157 HydrophobicContact CB-CD1 4.37Å; N153-L157 WeakPolarHBondContact ND2-CD2 3.32Å; L157-N159 PolarHBondContact O-N 3.32Å; L157-Y160 WeakPolarHBondContact O-CA 3.22Å; L157-Y160 PolarHBondContact O-N 3.38Å; L157-V161 HydrophobicContact CB-CB 4.05Å; L157-V161 HydrophobicContact CD1-CB 4.39Å; L157-V161 HydrophobicContact CD1-CG1 4.27Å |
| 158 | P | 97.9 | Very high | 98.2 | Very high | 103 Ų | 103 | 63.9 Ų | 63.9 | 67% | 0.669 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -49.9 | 135.9 | 174.6 | -27.3 | 35.1 | 0 | 0 | 0 | 112 | Y160 V161 | P158-Y160 VanDerWaalsContact C-N 3.26Å; P158-Y160 PolarHBondContact O-N 3.4Å; P158-V161 WeakPolarHBondContact O-CG2 3.38Å |
| 159 | N | 96.4 | Very high | 98.1 | Very high | 133 Ų | 133 | 63.1 Ų | 63.1 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 65.7 | 20.1 | -172.4 | -45.2 | -60.2 | 0 | 0 | 0 | 115.2 | L157 V161 | L157-N159 PolarHBondContact O-N 3.32Å; N159-V161 PolarHBondContact O-N 3.3Å |
| 160 | Y | 97.6 | Very high | 98.1 | Very high | 151 Ų | 151 | 64 Ų | 64 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | 58.9 | 30.2 | -178.7 | -59.5 | -84.4 | 0 | 0 | 0 | 113.5 | L157 P158 G162 R163 | L157-Y160 WeakPolarHBondContact O-CA 3.22Å; L157-Y160 PolarHBondContact O-N 3.38Å; P158-Y160 VanDerWaalsContact C-N 3.26Å; P158-Y160 PolarHBondContact O-N 3.4Å; Y160-G162 PolarHBondContact O-N 3Å; Y160-R163 VanDerWaalsContact O-CB 3.28Å; Y160-R163 WeakPolarHBondContact O-CB 3.42Å; Y160-R163 PolarHBondContact O-N 2.96Å |
| 161 | V | 98.1 | Very high | 98.1 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 127.7 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | K148 L157 P158 N159 R163 | K148-V161 HydrophobicContact CB-CG1 4.23Å; L157-V161 HydrophobicContact CB-CB 4.05Å; L157-V161 HydrophobicContact CD1-CB 4.39Å; L157-V161 HydrophobicContact CD1-CG1 4.27Å; P158-V161 WeakPolarHBondContact O-CG2 3.38Å; N159-V161 PolarHBondContact O-N 3.3Å; V161-R163 VanDerWaalsContact C-N 3.34Å |
| 162 | G | 98.2 | Very high | 98.1 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -20.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G100 D101 G145 Y160 | G100-G162 CarbonylContact C-O 3.41Å; G100-G162 VanDerWaalsContact C-O 3.25Å; G100-G162 WeakPolarHBondContact CA-O 3.44Å; G100-G162 PolarHBondContact N-O 2.76Å; G100-G162 VanDerWaalsContact N-O 3.08Å; D101-G162 PolarHBondContact N-O 2.03Å; G145-G162 CarbonylContact C-O 3.21Å; G145-G162 VanDerWaalsContact C-O 3.29Å; G145-G162 WeakPolarHBondContact CA-O 3.28Å; G145-G162 VanDerWaalsContact O-CA 3.22Å; G145-G162 WeakPolarHBondContact O-CA 3.24Å; Y160-G162 PolarHBondContact O-N 3Å |
| 163 | R | 98.8 | Very high | 98.1 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -59.5 | 172.4 | -178.2 | -173.3 | 175 | 83.9 | -12.1 | 111 | Q99 G100 D101 E102 N142 Y160 V161 D170 | Q99-R163 VanDerWaalsContact CA-O 3.31Å; Q99-R163 WeakPolarHBondContact CA-O 3.44Å; Q99-R163 HydrophobicContact CB-CG 3.99Å; Q99-R163 VanDerWaalsContact CD-NH2 3.33Å; Q99-R163 HydrophobicContact CG-CG 3.73Å; Q99-R163 VanDerWaalsContact OE1-CZ 3.25Å; G100-R163 PolarHBondContact N-O 2.84Å; D101-R163 VanDerWaalsContact OD1-CA 3.26Å; D101-R163 WeakPolarHBondContact OD1-CA 3.33Å; D101-R163 WeakPolarHBondContact OD1-CB 3.27Å; E102-R163 IonicContact OE1-NH1 3.26Å; E102-R163 PolarHBondContact OE1-NH1 3.29Å; N142-R163 PolarHBondContact ND2-O 3.4Å; Y160-R163 VanDerWaalsContact O-CB 3.28Å; Y160-R163 WeakPolarHBondContact O-CB 3.42Å; Y160-R163 PolarHBondContact O-N 2.96Å; V161-R163 VanDerWaalsContact C-N 3.34Å; R163-D170 IonicContact CZ-OD2 3.39Å; R163-D170 IonicContact NE-OD2 3.85Å; R163-D170 PolarHBondContact NE-OD2 3.08Å; R163-D170 IonicContact NH2-OD2 3Å; R163-D170 PolarHBondContact NH2-OD2 3.36Å |
| 164 | G | 98.5 | Very high | 98 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -70.6 | 172.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N142 G145 I169 | N142-G164 PolarHBondContact ND2-O 3.08Å; G145-G164 WeakPolarHBondContact CA-O 3.15Å; G164-I169 CarbonylContact C-O 3.39Å; G164-I169 WeakPolarHBondContact CA-O 3.33Å |
| 165 | N | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -73.7 | -169.8 | 173.5 | 78.4 | -17.2 | 0 | 0 | 0 | 112.1 | L65 N142 A167 N168 I169 L171 Q193 E195 | L65-N165 WeakPolarHBondContact CD1-ND2 3.41Å; N142-N165 PolarHBondContact ND2-N 3.34Å; N142-N165 WeakPolarHBondContact OD1-CA 3.41Å; N165-A167 PolarHBondContact O-N 2.99Å; N165-A167 VanDerWaalsContact O-N 3.13Å; N165-A167 PolarHBondContact OD1-N 2.87Å; N165-A167 VanDerWaalsContact OD1-N 3.12Å; N165-N168 WeakPolarHBondContact O-CA 3.41Å; N165-N168 PolarHBondContact O-N 2.73Å; N165-N168 PolarHBondContact OD1-N 2.94Å; N165-I169 PolarHBondContact N-O 2.9Å; N165-I169 PolarHBondContact OD1-N 3.46Å; N165-L171 HydrophobicContact CB-CD1 4.28Å; N165-L171 HydrophobicContact CB-CD2 3.95Å; N165-L171 HydrophobicContact CB-CG 4.12Å; N165-Q193 WeakPolarHBondContact ND2-CB 3.43Å; N165-Q193 WeakPolarHBondContact ND2-CG 3.29Å; N165-Q193 PolarHBondContact ND2-OE1 3.5Å; N165-E195 PolarHBondContact ND2-OE2 3.06Å | ||
| 166 | A | 98.3 | Very high | 97.8 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L65 E66 D144 N168 | L65-A166 HydrophobicContact CB-CB 3.83Å; L65-A166 HydrophobicContact CD1-CB 4Å; E66-A166 HydrophobicContact CG-CB 3.87Å; D144-A166 HydrophobicContact CB-CB 3.88Å; D144-A166 WeakPolarHBondContact OD2-CB 3.5Å; A166-N168 VanDerWaalsContact C-N 3.28Å |
| 167 | A | 97.8 | Very high | 97.7 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 44% | 0.438 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 6.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L65 N165 I169 | L65-A167 HydrophobicContact CD1-CB 3.57Å; N165-A167 PolarHBondContact O-N 2.99Å; N165-A167 VanDerWaalsContact O-N 3.13Å; N165-A167 PolarHBondContact OD1-N 2.87Å; N165-A167 VanDerWaalsContact OD1-N 3.12Å; A167-I169 HydrophobicContact CB-CG1 4.16Å; A167-I169 PolarHBondContact O-N 3.28Å |
| 168 | N | 97.1 | Very high | 97.5 | Very high | 93 Ų | 93 | 47.6 Ų | 47.6 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | trans | 60.2 | 30.9 | -176.1 | -154.5 | 56.7 | 0 | 0 | 0 | 113.6 | N165 A166 | N165-N168 WeakPolarHBondContact O-CA 3.41Å; N165-N168 PolarHBondContact O-N 2.73Å; N165-N168 PolarHBondContact OD1-N 2.94Å; A166-N168 VanDerWaalsContact C-N 3.28Å | ||
| 169 | I | 98.1 | Very high | 97.3 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 35% | 0.354 | 23% | 0.23 | S | C | . | . | trans | -94.2 | 132.3 | 172.9 | -58.4 | -58.8 | 0 | 0 | 0 | 108.9 | G164 N165 A167 L171 D174 Q193 | G164-I169 CarbonylContact C-O 3.39Å; G164-I169 WeakPolarHBondContact CA-O 3.33Å; N165-I169 PolarHBondContact N-O 2.9Å; N165-I169 PolarHBondContact OD1-N 3.46Å; A167-I169 HydrophobicContact CB-CG1 4.16Å; A167-I169 PolarHBondContact O-N 3.28Å; I169-L171 PolarHBondContact O-N 3.27Å; I169-D174 HydrophobicContact CG2-CB 4.48Å; I169-Q193 HydrophobicContact CB-CG 3.91Å; I169-Q193 HydrophobicContact CG1-CG 4.3Å; I169-Q193 HydrophobicContact CG2-CG 3.84Å | ||
| 170 | D | 98.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | trans | -73 | 108.2 | 171.7 | -167.3 | -25.4 | 0 | 0 | 0 | 108.8 | Q99 R163 N172 R173 | Q99-D170 PolarHBondContact NE2-OD1 3.02Å; Q99-D170 PolarHBondContact NE2-OD2 3.46Å; R163-D170 IonicContact CZ-OD2 3.39Å; R163-D170 IonicContact NE-OD2 3.85Å; R163-D170 PolarHBondContact NE-OD2 3.08Å; R163-D170 IonicContact NH2-OD2 3Å; R163-D170 PolarHBondContact NH2-OD2 3.36Å; D170-N172 PolarHBondContact O-N 2.87Å; D170-N172 PolarHBondContact OD1-N 3.2Å; D170-R173 HydrophobicContact CB-CB 4.48Å; D170-R173 HydrophobicContact CB-CG 4.18Å; D170-R173 PolarHBondContact O-N 3.43Å | ||
| 171 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -61.9 | -26.4 | -178.2 | -62.6 | -178.8 | 0 | 0 | 0 | 112 | I98 N142 N165 I169 R173 D174 F175 Q193 E195 T196 | I98-L171 HydrophobicContact CD1-CB 4.06Å; I98-L171 HydrophobicContact CG1-CB 3.61Å; I98-L171 HydrophobicContact CG1-CD1 4.3Å; N142-L171 HydrophobicContact CB-CD1 3.85Å; N165-L171 HydrophobicContact CB-CD1 4.28Å; N165-L171 HydrophobicContact CB-CD2 3.95Å; N165-L171 HydrophobicContact CB-CG 4.12Å; I169-L171 PolarHBondContact O-N 3.27Å; L171-R173 PolarHBondContact O-N 3.38Å; L171-R173 VanDerWaalsContact O-N 3.14Å; L171-D174 PolarHBondContact O-N 3.21Å; L171-F175 WeakPolarHBondContact O-CD2 3.31Å; L171-F175 WeakPolarHBondContact O-CE2 3.37Å; L171-Q193 HydrophobicContact CD2-CB 3.61Å; L171-Q193 HydrophobicContact CD2-CG 3.85Å; L171-E195 HydrophobicContact CD1-CB 3.66Å; L171-E195 HydrophobicContact CD1-CG 4.1Å; L171-E195 HydrophobicContact CD2-CB 4.16Å; L171-T196 WeakPolarHBondContact CD2-OG1 3.42Å |
| 172 | N | 98.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -81.7 | 20.3 | 175.6 | -157.8 | 29.8 | 0 | 0 | 0 | 112.8 | I98 D170 G285 G286 M287 | I98-N172 HydrophobicContact CD1-CB 4.22Å; D170-N172 PolarHBondContact O-N 2.87Å; D170-N172 PolarHBondContact OD1-N 3.2Å; N172-G285 CarbonylContact C-O 3.56Å; N172-G286 WeakPolarHBondContact OD1-CA 3.4Å; N172-M287 PolarHBondContact OD1-N 3.06Å |
| 173 | R | 97.3 | Very high | 94.4 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -131.9 | 5 | 168.4 | -60.2 | -65.6 | -176.4 | -81.1 | 0.8 | 112.5 | D170 L171 L283 S284 G285 | D170-R173 HydrophobicContact CB-CB 4.48Å; D170-R173 HydrophobicContact CB-CG 4.18Å; D170-R173 PolarHBondContact O-N 3.43Å; L171-R173 PolarHBondContact O-N 3.38Å; L171-R173 VanDerWaalsContact O-N 3.14Å; R173-L283 VanDerWaalsContact NH2-CB 3.3Å; R173-S284 WeakPolarHBondContact CD-O 3.48Å; R173-G285 CarbonylContact C-O 3.29Å; R173-G285 VanDerWaalsContact CA-O 3.26Å; R173-G285 WeakPolarHBondContact CA-O 3.19Å; R173-G285 PolarHBondContact N-O 2.97Å |
| 174 | D | 97.4 | Very high | 93.5 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -106.4 | -7.2 | -170 | -166.3 | 49.3 | 0 | 0 | 0 | 113.2 | I169 L171 R192 Q193 T196 G285 | I169-D174 HydrophobicContact CG2-CB 4.48Å; L171-D174 PolarHBondContact O-N 3.21Å; D174-R192 PolarHBondContact O-NE 3.4Å; D174-Q193 WeakPolarHBondContact OD2-CB 3.1Å; D174-Q193 WeakPolarHBondContact OD2-CG 3.44Å; D174-Q193 PolarHBondContact OD2-N 2.83Å; D174-T196 HydrophobicContact CB-CG2 4.12Å; D174-T196 WeakPolarHBondContact OD2-CB 3.32Å; D174-T196 PolarHBondContact OD2-OG1 3.08Å; D174-G285 PolarHBondContact N-O 2.76Å |
| 175 | F | 97.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -72.7 | 154.7 | 177.4 | -73.8 | -101.6 | 0 | 0 | 0 | 111.9 | I98 L171 D177 T196 L199 V200 I203 G285 M287 F290 | I98-F175 HydrophobicContact CD1-CE2 3.9Å; L171-F175 WeakPolarHBondContact O-CD2 3.31Å; L171-F175 WeakPolarHBondContact O-CE2 3.37Å; F175-D177 PolarHBondContact O-N 2.92Å; F175-T196 HydrophobicContact CD1-CG2 4.18Å; F175-T196 HydrophobicContact CD2-CG2 3.88Å; F175-T196 HydrophobicContact CE1-CG2 4.22Å; F175-T196 HydrophobicContact CE2-CG2 3.89Å; F175-T196 HydrophobicContact CG-CG2 4.01Å; F175-T196 HydrophobicContact CZ-CG2 4.07Å; F175-L199 HydrophobicContact CE1-CB 4.06Å; F175-L199 HydrophobicContact CZ-CB 3.86Å; F175-L199 HydrophobicContact CZ-CD1 3.92Å; F175-V200 HydrophobicContact CD1-CG2 3.73Å; F175-V200 HydrophobicContact CE1-CG2 3.87Å; F175-I203 HydrophobicContact CE1-CD1 4.28Å; F175-G285 WeakPolarHBondContact CB-O 3.34Å; F175-G285 PolarHBondContact N-O 2.79Å; F175-G285 VanDerWaalsContact O-CA 3.24Å; F175-G285 WeakPolarHBondContact O-CA 3.34Å; F175-M287 HydrophobicContact CD1-CB 4.39Å; F175-M287 HydrophobicContact CD1-CG 4.3Å; F175-M287 HydrophobicContact CD2-CB 3.94Å; F175-M287 HydrophobicContact CE1-CB 4.1Å; F175-M287 HydrophobicContact CE1-CG 3.67Å; F175-M287 HydrophobicContact CE1-SD 4.17Å; F175-M287 HydrophobicContact CE2-CB 3.64Å; F175-M287 HydrophobicContact CE2-CG 4Å; F175-M287 HydrophobicContact CE2-SD 4.26Å; F175-M287 HydrophobicContact CG-CB 4.32Å; F175-M287 HydrophobicContact CZ-CB 3.72Å; F175-M287 HydrophobicContact CZ-CG 3.51Å; F175-M287 HydrophobicContact CZ-SD 3.6Å; F175-M287 VanDerWaalsContact CZ-SD 3.6Å; F175-F290 HydrophobicContact CB-CB 3.98Å; F175-F290 HydrophobicContact CB-CG 4.3Å; F175-F290 HydrophobicContact CD1-CB 3.97Å; F175-F290 AromaticContact CD1-CD1 3.65Å; F175-F290 HydrophobicContact CD1-CD1 3.65Å; F175-F290 HydrophobicContact CD1-CD2 4.38Å; F175-F290 HydrophobicContact CD1-CE1 4.3Å; F175-F290 AromaticContact CD1-CG 3.72Å; F175-F290 HydrophobicContact CD1-CG 3.72Å; F175-F290 HydrophobicContact CE1-CD1 4.11Å; F175-F290 HydrophobicContact CG-CB 4.28Å; F175-F290 HydrophobicContact CG-CG 4.43Å |
| 176 | P | 95.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 121.6 | 167.2 | -13.8 | 23 | 0 | 0 | 0 | 111 | F290 F294 | P176-F290 HydrophobicContact CB-CD2 4.11Å; P176-F290 HydrophobicContact CB-CE2 4.3Å; P176-F290 HydrophobicContact CG-CD2 3.81Å; P176-F290 HydrophobicContact CG-CE2 3.69Å; P176-F294 HydrophobicContact CB-CE2 4.23Å; P176-F294 HydrophobicContact CB-CZ 4.11Å; P176-F294 WeakPolarHBondContact O-CE2 3.31Å |
| 177 | D | 95.4 | Very high | 90.2 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 8% | 0.075 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 133.6 | 178.1 | -171 | 81 | 0 | 0 | 0 | 113.1 | F175 L179 E180 H185 N227 S284 G285 | F175-D177 PolarHBondContact O-N 2.92Å; D177-L179 PolarHBondContact O-N 2.86Å; D177-L179 WeakPolarHBondContact OD2-CB 3.29Å; D177-L179 PolarHBondContact OD2-N 3.5Å; D177-E180 HydrophobicContact CB-CB 4.08Å; D177-E180 WeakPolarHBondContact O-CB 3.42Å; D177-E180 PolarHBondContact O-N 3.31Å; D177-H185 PolarHBondContact N-CE1 2.98Å; D177-H185 PolarHBondContact O-CE1 2.99Å; D177-H185 PolarHBondContact O-NE2 3.42Å; D177-H185 VanDerWaalsContact O-NE2 3.1Å; D177-N227 PolarHBondContact OD1-ND2 3.15Å; D177-N227 PolarHBondContact OD2-ND2 2.83Å; D177-S284 WeakPolarHBondContact OD1-CA 3.23Å; D177-G285 PolarHBondContact OD1-N 3.03Å |
| 178 | R | 94.9 | Very high | 89.3 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19 | -176.7 | 72 | -171.1 | 176.9 | 82.9 | 1.9 | 115 | Y225 N227 D289 A293 F294 | R178-Y225 VanDerWaalsContact NE-CD1 3.28Å; R178-N227 PolarHBondContact NE-OD1 2.85Å; R178-N227 PolarHBondContact NH2-O 3.41Å; R178-N227 PolarHBondContact NH2-OD1 3.35Å; R178-D289 IonicContact NE-OD2 3.38Å; R178-A293 HydrophobicContact CB-CB 3.68Å; R178-F294 HydrophobicContact CB-CE2 4.47Å |
| 179 | L | 94.4 | Very high | 88.4 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -7 | -179.2 | -55.5 | -179.9 | 0 | 0 | 0 | 112.6 | D177 S228 L229 | D177-L179 PolarHBondContact O-N 2.86Å; D177-L179 WeakPolarHBondContact OD2-CB 3.29Å; D177-L179 PolarHBondContact OD2-N 3.5Å; L179-S228 VanDerWaalsContact CD1-O 3.23Å; L179-S228 WeakPolarHBondContact CD1-O 3.32Å; L179-L229 HydrophobicContact CD1-CD2 4.33Å; L179-L229 HydrophobicContact CD1-CG 4.41Å; L179-L229 HydrophobicContact CD2-CD2 3.74Å; L179-L229 HydrophobicContact CD2-CG 3.96Å; L179-L229 HydrophobicContact CG-CD2 4.44Å |
| 180 | E | 87.4 | Confident | 87.2 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -73.6 | 142.2 | -178.6 | 177.9 | 174.8 | -95.9 | 0 | 0 | 111.3 | D177 V184 H185 R188 | D177-E180 HydrophobicContact CB-CB 4.08Å; D177-E180 WeakPolarHBondContact O-CB 3.42Å; D177-E180 PolarHBondContact O-N 3.31Å; E180-V184 HydrophobicContact CG-CB 3.65Å; E180-V184 HydrophobicContact CG-CG1 3.69Å; E180-V184 VanDerWaalsContact OE1-CG1 3.26Å; E180-V184 WeakPolarHBondContact OE1-CG1 3.37Å; E180-H185 PolarHBondContact O-CD2 2.98Å; E180-H185 PolarHBondContact O-NE2 3.18Å; E180-H185 WeakPolarHBondContact OE2-CA 3.49Å; E180-H185 IonicContact OE2-CE1 2.97Å; E180-H185 PolarHBondContact OE2-CE1 3.33Å; E180-H185 IonicContact OE2-CG 3.01Å; E180-H185 PolarHBondContact OE2-N 2.85Å; E180-H185 IonicContact OE2-ND1 3.25Å; E180-H185 PolarHBondContact OE2-ND1 3.12Å; E180-R188 WeakPolarHBondContact OE1-CD 3.26Å; E180-R188 IonicContact OE1-CZ 3.82Å; E180-R188 IonicContact OE1-NE 3.2Å; E180-R188 IonicContact OE1-NH1 2.86Å; E180-R188 PolarHBondContact OE1-NH1 3.03Å |
| 181 | Q | 83.7 | Confident | 86.5 | Confident | 152 Ų | 152 | 68.9 Ų | 68.9 | 71% | 0.71 | 35% | 0.347 | S | S | * | . | trans | -67.7 | 141.7 | 178.9 | -65.5 | -177.3 | 3.4 | 0 | 0 | 111.1 | H183 V184 H185 | Q181-H183 PolarHBondContact O-N 2.85Å; Q181-V184 HydrophobicContact CB-CG2 4.28Å; Q181-V184 WeakPolarHBondContact O-CA 3.22Å; Q181-V184 WeakPolarHBondContact O-CB 3.44Å; Q181-V184 PolarHBondContact O-N 2.78Å; Q181-H185 PolarHBondContact O-N 3.08Å; Q181-H185 VanDerWaalsContact O-N 3.09Å | ||
| 182 | S | 80 | Confident | 86.1 | Confident | 89 Ų | 89 | 71 Ų | 71 | 62% | 0.622 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -55 | -32.5 | -174.9 | -43.7 | 0 | 0 | 0 | 0 | 114.8 | H185 Q186 | S182-H185 WeakPolarHBondContact O-CB 3.43Å; S182-Q186 WeakPolarHBondContact O-CG 3.42Å; S182-Q186 PolarHBondContact O-N 3.21Å |
| 183 | H | 78.4 | Confident | 86.1 | Confident | 120 Ų | 120 | 72 Ų | 72 | 56% | 0.556 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.2 | -40.3 | 175.5 | -179.7 | 53.3 | 0 | 0 | 0 | 112.2 | Q181 H185 Q186 L187 | Q181-H183 PolarHBondContact O-N 2.85Å; H183-H185 VanDerWaalsContact C-N 3.34Å; H183-Q186 PolarHBondContact O-N 3.06Å; H183-L187 WeakPolarHBondContact O-CG 3.44Å; H183-L187 PolarHBondContact O-N 3.4Å; H183-L187 VanDerWaalsContact O-N 3.12Å |
| 184 | V | 77.9 | Confident | 86.1 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 30% | 0.303 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | E180 Q181 Q186 L187 R188 | E180-V184 HydrophobicContact CG-CB 3.65Å; E180-V184 HydrophobicContact CG-CG1 3.69Å; E180-V184 VanDerWaalsContact OE1-CG1 3.26Å; E180-V184 WeakPolarHBondContact OE1-CG1 3.37Å; Q181-V184 HydrophobicContact CB-CG2 4.28Å; Q181-V184 WeakPolarHBondContact O-CA 3.22Å; Q181-V184 WeakPolarHBondContact O-CB 3.44Å; Q181-V184 PolarHBondContact O-N 2.78Å; V184-Q186 VanDerWaalsContact C-N 3.32Å; V184-Q186 PolarHBondContact O-N 2.78Å; V184-L187 PolarHBondContact O-N 3.49Å; V184-R188 HydrophobicContact CG1-CG 4.46Å; V184-R188 PolarHBondContact O-N 3.3Å |
| 185 | H | 76.5 | Confident | 86.2 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.6 | -45.3 | 172.8 | -80.1 | -43.7 | 0 | 0 | 0 | 113.4 | D177 E180 Q181 S182 H183 A189 | D177-H185 PolarHBondContact N-CE1 2.98Å; D177-H185 PolarHBondContact O-CE1 2.99Å; D177-H185 PolarHBondContact O-NE2 3.42Å; D177-H185 VanDerWaalsContact O-NE2 3.1Å; E180-H185 PolarHBondContact O-CD2 2.98Å; E180-H185 PolarHBondContact O-NE2 3.18Å; E180-H185 WeakPolarHBondContact OE2-CA 3.49Å; E180-H185 IonicContact OE2-CE1 2.97Å; E180-H185 PolarHBondContact OE2-CE1 3.33Å; E180-H185 IonicContact OE2-CG 3.01Å; E180-H185 PolarHBondContact OE2-N 2.85Å; E180-H185 IonicContact OE2-ND1 3.25Å; E180-H185 PolarHBondContact OE2-ND1 3.12Å; Q181-H185 PolarHBondContact O-N 3.08Å; Q181-H185 VanDerWaalsContact O-N 3.09Å; S182-H185 WeakPolarHBondContact O-CB 3.43Å; H183-H185 VanDerWaalsContact C-N 3.34Å; H185-A189 WeakPolarHBondContact O-CB 3.36Å; H185-A189 PolarHBondContact O-N 2.91Å |
| 186 | Q | 74.9 | Confident | 86.3 | Confident | 133 Ų | 133 | 68 Ų | 68 | 62% | 0.621 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67 | -40.9 | 179.9 | -72.2 | 173.5 | 4.1 | 0 | 0 | 111.9 | S182 H183 V184 A189 | S182-Q186 WeakPolarHBondContact O-CG 3.42Å; S182-Q186 PolarHBondContact O-N 3.21Å; H183-Q186 PolarHBondContact O-N 3.06Å; V184-Q186 VanDerWaalsContact C-N 3.32Å; V184-Q186 PolarHBondContact O-N 2.78Å; Q186-A189 PolarHBondContact O-N 2.89Å |
| 187 | L | 76.6 | Confident | 86.4 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 55% | 0.55 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 176.8 | -69.8 | 173.7 | 0 | 0 | 0 | 111.5 | H183 V184 A189 | H183-L187 WeakPolarHBondContact O-CG 3.44Å; H183-L187 PolarHBondContact O-N 3.4Å; H183-L187 VanDerWaalsContact O-N 3.12Å; V184-L187 PolarHBondContact O-N 3.49Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 3.07Å |
| 188 | R | 78.9 | Confident | 86.5 | Confident | 136 Ų | 136 | 69 Ų | 69 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.2 | -24.8 | -179.4 | -76.2 | -176.8 | 159.3 | 179.7 | -12.9 | 113.3 | E180 V184 Q190 S191 R192 | E180-R188 WeakPolarHBondContact OE1-CD 3.26Å; E180-R188 IonicContact OE1-CZ 3.82Å; E180-R188 IonicContact OE1-NE 3.2Å; E180-R188 IonicContact OE1-NH1 2.86Å; E180-R188 PolarHBondContact OE1-NH1 3.03Å; V184-R188 HydrophobicContact CG1-CG 4.46Å; V184-R188 PolarHBondContact O-N 3.3Å; R188-Q190 PolarHBondContact O-N 3.01Å; R188-Q190 VanDerWaalsContact O-N 3.12Å; R188-S191 PolarHBondContact O-N 3.29Å; R188-S191 PolarHBondContact O-OG 2.81Å; R188-R192 WeakPolarHBondContact O-CG 3.28Å; R188-R192 PolarHBondContact O-N 3.02Å; R188-R192 VanDerWaalsContact O-N 3.15Å |
| 189 | A | 76.3 | Confident | 86.7 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.7 | -28.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H185 Q186 L187 | H185-A189 WeakPolarHBondContact O-CB 3.36Å; H185-A189 PolarHBondContact O-N 2.91Å; Q186-A189 PolarHBondContact O-N 2.89Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 3.07Å |
| 190 | Q | 72.9 | Confident | 86.8 | Confident | 184 Ų | 184 | 64.5 Ų | 64.5 | 86% | 0.86 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.3 | 178.6 | -61.5 | -177.9 | 2.9 | 0 | 0 | 113.5 | R188 | R188-Q190 PolarHBondContact O-N 3.01Å; R188-Q190 VanDerWaalsContact O-N 3.12Å |
| 191 | S | 83.8 | Confident | 87.3 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 3.8 | -175.1 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | R188 | R188-S191 PolarHBondContact O-N 3.29Å; R188-S191 PolarHBondContact O-OG 2.81Å |
| 192 | R | 91.6 | Very high | 88.1 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -63.2 | 150.2 | 176.7 | -79.2 | -176.8 | -171.6 | 102.7 | 17.8 | 111.3 | D174 R188 | D174-R192 PolarHBondContact O-NE 3.4Å; R188-R192 WeakPolarHBondContact O-CG 3.28Å; R188-R192 PolarHBondContact O-N 3.02Å; R188-R192 VanDerWaalsContact O-N 3.15Å |
| 193 | Q | 97.8 | Very high | 88.9 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | trans | -62.9 | 146.5 | 173.9 | -59.1 | -51.9 | -68.2 | 0 | 0 | 110.4 | N165 I169 L171 D174 E195 T196 A197 | N165-Q193 WeakPolarHBondContact ND2-CB 3.43Å; N165-Q193 WeakPolarHBondContact ND2-CG 3.29Å; N165-Q193 PolarHBondContact ND2-OE1 3.5Å; I169-Q193 HydrophobicContact CB-CG 3.91Å; I169-Q193 HydrophobicContact CG1-CG 4.3Å; I169-Q193 HydrophobicContact CG2-CG 3.84Å; L171-Q193 HydrophobicContact CD2-CB 3.61Å; L171-Q193 HydrophobicContact CD2-CG 3.85Å; D174-Q193 WeakPolarHBondContact OD2-CB 3.1Å; D174-Q193 WeakPolarHBondContact OD2-CG 3.44Å; D174-Q193 PolarHBondContact OD2-N 2.83Å; Q193-E195 WeakPolarHBondContact CB-OE2 3.48Å; Q193-E195 PolarHBondContact O-N 3.06Å; Q193-T196 WeakPolarHBondContact O-CB 3.32Å; Q193-T196 PolarHBondContact O-N 3.17Å; Q193-T196 VanDerWaalsContact O-N 3.12Å; Q193-A197 PolarHBondContact O-N 2.94Å | ||
| 194 | P | 97.9 | Very high | 89.8 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.5 | -32.8 | -177.3 | 24.7 | -34.3 | 0 | 0 | 0 | 112.4 | L65 A197 A198 | L65-P194 HydrophobicContact CB-CG 4.39Å; L65-P194 HydrophobicContact CD2-CG 3.65Å; L65-P194 HydrophobicContact CG-CG 3.58Å; P194-A197 PolarHBondContact O-N 2.99Å; P194-A198 WeakPolarHBondContact O-CB 3.2Å; P194-A198 PolarHBondContact O-N 2.99Å |
| 195 | E | 98.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | 174.3 | -57.2 | 83.9 | 178.5 | 0 | 0 | 111.3 | S64 L65 I70 C141 N165 L171 Q193 A197 A198 L199 | S64-E195 VanDerWaalsContact CA-OE1 3.3Å; S64-E195 WeakPolarHBondContact CA-OE1 3.41Å; S64-E195 VanDerWaalsContact CB-OE1 3.25Å; S64-E195 WeakPolarHBondContact CB-OE1 3.41Å; L65-E195 PolarHBondContact N-OE1 3.23Å; L65-E195 VanDerWaalsContact N-OE1 3.15Å; I70-E195 HydrophobicContact CD1-CB 4.26Å; I70-E195 HydrophobicContact CD1-CG 4.16Å; C141-E195 WeakPolarHBondContact O-CG 3.3Å; N165-E195 PolarHBondContact ND2-OE2 3.06Å; L171-E195 HydrophobicContact CD1-CB 3.66Å; L171-E195 HydrophobicContact CD1-CG 4.1Å; L171-E195 HydrophobicContact CD2-CB 4.16Å; Q193-E195 WeakPolarHBondContact CB-OE2 3.48Å; Q193-E195 PolarHBondContact O-N 3.06Å; E195-A197 PolarHBondContact O-N 3.36Å; E195-A198 PolarHBondContact O-N 3.42Å; E195-L199 WeakPolarHBondContact O-CG 3.4Å; E195-L199 PolarHBondContact O-N 3.2Å |
| 196 | T | 98.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.4 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | L171 D174 F175 Q193 A198 L199 V200 | L171-T196 WeakPolarHBondContact CD2-OG1 3.42Å; D174-T196 HydrophobicContact CB-CG2 4.12Å; D174-T196 WeakPolarHBondContact OD2-CB 3.32Å; D174-T196 PolarHBondContact OD2-OG1 3.08Å; F175-T196 HydrophobicContact CD1-CG2 4.18Å; F175-T196 HydrophobicContact CD2-CG2 3.88Å; F175-T196 HydrophobicContact CE1-CG2 4.22Å; F175-T196 HydrophobicContact CE2-CG2 3.89Å; F175-T196 HydrophobicContact CG-CG2 4.01Å; F175-T196 HydrophobicContact CZ-CG2 4.07Å; Q193-T196 WeakPolarHBondContact O-CB 3.32Å; Q193-T196 PolarHBondContact O-N 3.17Å; Q193-T196 VanDerWaalsContact O-N 3.12Å; T196-A198 PolarHBondContact O-N 3.33Å; T196-L199 PolarHBondContact O-N 3Å; T196-V200 HydrophobicContact CG2-CG2 4.35Å; T196-V200 WeakPolarHBondContact O-CB 3.48Å; T196-V200 VanDerWaalsContact O-CG2 3.31Å; T196-V200 WeakPolarHBondContact O-CG2 3.39Å; T196-V200 PolarHBondContact O-N 2.52Å |
| 197 | A | 97.3 | Very high | 92.8 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q193 P194 E195 N201 | Q193-A197 PolarHBondContact O-N 2.94Å; P194-A197 PolarHBondContact O-N 2.99Å; E195-A197 PolarHBondContact O-N 3.36Å; A197-N201 WeakPolarHBondContact O-CB 3.2Å; A197-N201 VanDerWaalsContact O-CG 3.3Å; A197-N201 PolarHBondContact O-N 3.27Å; A197-N201 PolarHBondContact O-ND2 3.13Å |
| 198 | A | 98.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 48.3 Ų | 48.3 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I61 I70 P194 E195 T196 N201 W202 | I61-A198 HydrophobicContact CD1-CB 4.14Å; I61-A198 HydrophobicContact CG1-CB 4.27Å; I61-A198 WeakPolarHBondContact O-CB 3.35Å; I70-A198 HydrophobicContact CD1-CB 4.33Å; P194-A198 WeakPolarHBondContact O-CB 3.2Å; P194-A198 PolarHBondContact O-N 2.99Å; E195-A198 PolarHBondContact O-N 3.42Å; T196-A198 PolarHBondContact O-N 3.33Å; A198-N201 PolarHBondContact O-N 3.27Å; A198-W202 VanDerWaalsContact O-CB 3.31Å; A198-W202 WeakPolarHBondContact O-CB 3.45Å; A198-W202 PolarHBondContact O-N 3.46Å |
| 199 | L | 98.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -47 | 178.1 | -73.9 | 161.7 | 0 | 0 | 0 | 112.3 | I61 L138 C141 F175 E195 T196 N201 W202 I203 M287 | I61-L199 HydrophobicContact CD1-CD2 3.8Å; I61-L199 HydrophobicContact CD1-CG 4.09Å; L138-L199 HydrophobicContact CD1-CD2 3.73Å; C141-L199 HydrophobicContact CB-CD1 3.88Å; C141-L199 VanDerWaalsContact SG-CD1 3.59Å; F175-L199 HydrophobicContact CE1-CB 4.06Å; F175-L199 HydrophobicContact CZ-CB 3.86Å; F175-L199 HydrophobicContact CZ-CD1 3.92Å; E195-L199 WeakPolarHBondContact O-CG 3.4Å; E195-L199 PolarHBondContact O-N 3.2Å; T196-L199 PolarHBondContact O-N 3Å; L199-N201 VanDerWaalsContact C-N 3.33Å; L199-N201 PolarHBondContact O-N 2.8Å; L199-W202 HydrophobicContact CD2-CE3 4.27Å; L199-W202 PolarHBondContact O-N 2.87Å; L199-I203 WeakPolarHBondContact O-CB 3.45Å; L199-I203 WeakPolarHBondContact O-CD1 3.36Å; L199-I203 WeakPolarHBondContact O-CG1 3.47Å; L199-I203 PolarHBondContact O-N 3.21Å; L199-M287 HydrophobicContact CD1-SD 4.19Å; L199-M287 HydrophobicContact CD2-SD 4.34Å |
| 200 | V | 97.7 | Very high | 95.9 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.6 | -50.9 | 176.1 | 163.5 | 0 | 0 | 0 | 0 | 110.3 | F175 T196 W202 I203 V204 F290 | F175-V200 HydrophobicContact CD1-CG2 3.73Å; F175-V200 HydrophobicContact CE1-CG2 3.87Å; T196-V200 HydrophobicContact CG2-CG2 4.35Å; T196-V200 WeakPolarHBondContact O-CB 3.48Å; T196-V200 VanDerWaalsContact O-CG2 3.31Å; T196-V200 WeakPolarHBondContact O-CG2 3.39Å; T196-V200 PolarHBondContact O-N 2.52Å; V200-W202 PolarHBondContact O-N 3.35Å; V200-I203 PolarHBondContact O-N 3.2Å; V200-V204 WeakPolarHBondContact O-CG2 3.41Å; V200-V204 PolarHBondContact O-N 3.38Å; V200-F290 HydrophobicContact CB-CE1 4.46Å; V200-F290 HydrophobicContact CB-CZ 4.17Å; V200-F290 HydrophobicContact CG1-CE2 4.43Å; V200-F290 HydrophobicContact CG1-CZ 3.85Å; V200-F290 HydrophobicContact CG2-CE1 4.07Å; V200-F290 HydrophobicContact CG2-CE2 4.26Å; V200-F290 HydrophobicContact CG2-CZ 3.88Å |
| 201 | N | 97.8 | Very high | 97.1 | Very high | 108 Ų | 108 | 30.9 Ų | 30.9 | 58% | 0.578 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -61.8 | -43.6 | 179 | -74.6 | -24 | 0 | 0 | 0 | 111.8 | A197 A198 L199 S205 | A197-N201 WeakPolarHBondContact O-CB 3.2Å; A197-N201 VanDerWaalsContact O-CG 3.3Å; A197-N201 PolarHBondContact O-N 3.27Å; A197-N201 PolarHBondContact O-ND2 3.13Å; A198-N201 PolarHBondContact O-N 3.27Å; L199-N201 VanDerWaalsContact C-N 3.33Å; L199-N201 PolarHBondContact O-N 2.8Å; N201-S205 WeakPolarHBondContact O-CB 3.41Å; N201-S205 PolarHBondContact O-N 3.47Å; N201-S205 PolarHBondContact O-OG 2.66Å |
| 202 | W | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 5% | 0.053 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 179.9 | -179.1 | 55.5 | 0 | 0 | 0 | 112.1 | Y59 I61 K93 V95 H136 L138 A198 L199 V200 V204 S205 F208 | Y59-W202 AromaticContact CE2-NE1 3.78Å; Y59-W202 AromaticContact CZ-NE1 3.93Å; Y59-W202 VanDerWaalsContact OH-CZ2 3.27Å; Y59-W202 WeakPolarHBondContact OH-CZ2 3.09Å; Y59-W202 PolarHBondContact OH-NE1 3.39Å; I61-W202 HydrophobicContact CB-CB 4.28Å; I61-W202 HydrophobicContact CB-CG 4.33Å; I61-W202 HydrophobicContact CD1-CB 4.32Å; I61-W202 HydrophobicContact CD1-CE3 4.39Å; I61-W202 HydrophobicContact CG2-CB 4.11Å; I61-W202 HydrophobicContact CG2-CD2 3.93Å; I61-W202 HydrophobicContact CG2-CG 3.63Å; K93-W202 HydrophobicContact CB-CH2 3.76Å; K93-W202 HydrophobicContact CB-CZ2 4.42Å; K93-W202 HydrophobicContact CB-CZ3 4.43Å; K93-W202 HydrophobicContact CD-CE3 4.29Å; K93-W202 HydrophobicContact CD-CH2 3.72Å; K93-W202 HydrophobicContact CD-CZ3 3.58Å; K93-W202 HydrophobicContact CG-CH2 4.33Å; V95-W202 HydrophobicContact CG2-CH2 4.37Å; V95-W202 HydrophobicContact CG2-CZ3 3.96Å; H136-W202 HydrophobicContact CB-CH2 4.15Å; H136-W202 HydrophobicContact CB-CZ2 3.74Å; L138-W202 HydrophobicContact CB-CH2 4.14Å; L138-W202 HydrophobicContact CB-CZ3 4.27Å; L138-W202 HydrophobicContact CD1-CE3 3.87Å; L138-W202 HydrophobicContact CD1-CH2 4.04Å; L138-W202 HydrophobicContact CD1-CZ3 3.51Å; A198-W202 VanDerWaalsContact O-CB 3.31Å; A198-W202 WeakPolarHBondContact O-CB 3.45Å; A198-W202 PolarHBondContact O-N 3.46Å; L199-W202 HydrophobicContact CD2-CE3 4.27Å; L199-W202 PolarHBondContact O-N 2.87Å; V200-W202 PolarHBondContact O-N 3.35Å; W202-V204 VanDerWaalsContact C-N 3.33Å; W202-V204 PolarHBondContact O-N 3.15Å; W202-S205 PolarHBondContact O-N 3.16Å; W202-S205 PolarHBondContact O-OG 3.37Å; W202-F208 HydrophobicContact CD2-CE2 4.2Å; W202-F208 HydrophobicContact CD2-CZ 4.28Å; W202-F208 AromaticContact CE2-CE2 3.94Å; W202-F208 AromaticContact CE2-CZ 3.57Å; W202-F208 HydrophobicContact CH2-CZ 4.09Å; W202-F208 HydrophobicContact CZ2-CE1 4.25Å; W202-F208 HydrophobicContact CZ2-CE2 4.18Å; W202-F208 AromaticContact CZ2-CZ 3.46Å; W202-F208 HydrophobicContact CZ2-CZ 3.46Å; W202-F208 VanDerWaalsContact CZ2-CZ 3.46Å; W202-F208 AromaticContact NE1-CZ 3.85Å |
| 203 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.3 | -44.9 | 179.4 | -71 | 163.8 | 0 | 0 | 0 | 111.2 | F175 L199 V200 M287 F290 N291 | F175-I203 HydrophobicContact CE1-CD1 4.28Å; L199-I203 WeakPolarHBondContact O-CB 3.45Å; L199-I203 WeakPolarHBondContact O-CD1 3.36Å; L199-I203 WeakPolarHBondContact O-CG1 3.47Å; L199-I203 PolarHBondContact O-N 3.21Å; V200-I203 PolarHBondContact O-N 3.2Å; I203-M287 HydrophobicContact CD1-CG 4.2Å; I203-M287 HydrophobicContact CD1-SD 4.4Å; I203-F290 HydrophobicContact CB-CE1 4.08Å; I203-F290 HydrophobicContact CD1-CD1 3.94Å; I203-F290 HydrophobicContact CD1-CE1 3.85Å; I203-F290 HydrophobicContact CG2-CD1 4.43Å; I203-F290 HydrophobicContact CG2-CE1 3.84Å; I203-N291 WeakPolarHBondContact CG2-OD1 3.41Å |
| 204 | V | 97.1 | Very high | 98.3 | Very high | 77 Ų | 77 | 23.9 Ų | 23.9 | 47% | 0.467 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -84.5 | -11.7 | -177.6 | -55 | 0 | 0 | 0 | 0 | 113.8 | V200 W202 F290 | V200-V204 WeakPolarHBondContact O-CG2 3.41Å; V200-V204 PolarHBondContact O-N 3.38Å; W202-V204 VanDerWaalsContact C-N 3.33Å; W202-V204 PolarHBondContact O-N 3.15Å; V204-F290 HydrophobicContact CG1-CZ 4.16Å |
| 205 | S | 97 | Very high | 98.3 | Very high | 83 Ų | 83 | 21.9 Ų | 21.9 | 58% | 0.58 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -78.8 | -21.3 | -179.7 | 72.2 | 0 | 0 | 0 | 0 | 114.2 | N201 W202 | N201-S205 WeakPolarHBondContact O-CB 3.41Å; N201-S205 PolarHBondContact O-N 3.47Å; N201-S205 PolarHBondContact O-OG 2.66Å; W202-S205 PolarHBondContact O-N 3.16Å; W202-S205 PolarHBondContact O-OG 3.37Å |
| 206 | K | 96.9 | Very high | 98.3 | Very high | 56 Ų | 56 | 22.1 Ų | 22.1 | 24% | 0.243 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -127.1 | 147.9 | -174.7 | -79.3 | 173.7 | 164.2 | -86.1 | 0 | 110.7 | M91 E134 H136 F208 | M91-K206 HydrophobicContact SD-CB 4Å; M91-K206 HydrophobicContact SD-CD 4.25Å; M91-K206 HydrophobicContact SD-CG 4.1Å; E134-K206 IonicContact OE1-NZ 2.76Å; E134-K206 PolarHBondContact OE1-NZ 3.07Å; H136-K206 VanDerWaalsContact CE1-CE 3.47Å; H136-K206 WeakPolarHBondContact CE1-CE 3.34Å; H136-K206 PolarHBondContact CE1-NZ 2.84Å; H136-K206 PolarHBondContact NE2-NZ 3.43Å; H136-K206 VanDerWaalsContact NE2-NZ 3.15Å; K206-F208 HydrophobicContact CB-CD2 3.88Å; K206-F208 HydrophobicContact CB-CE2 3.61Å; K206-F208 HydrophobicContact CB-CZ 4Å; K206-F208 HydrophobicContact CD-CE1 4.44Å; K206-F208 HydrophobicContact CD-CE2 4.03Å; K206-F208 HydrophobicContact CD-CZ 3.69Å; K206-F208 HydrophobicContact CG-CE2 4.42Å; K206-F208 HydrophobicContact CG-CZ 4.5Å; K206-F208 PolarHBondContact O-N 2.8Å |
| 207 | P | 97.7 | Very high | 98.3 | Very high | 35 Ų | 35 | 23.7 Ų | 23.7 | 23% | 0.227 | 15% | 0.15 | C | C | . | . | trans | -78.4 | 60.9 | 177.1 | 35 | -37.8 | 0 | 0 | 0 | 111.7 | M91 V209 W373 | M91-P207 HydrophobicContact CE-CG 4.47Å; M91-P207 HydrophobicContact SD-CG 4.04Å; P207-V209 PolarHBondContact O-N 2.9Å; P207-W373 HydrophobicContact CB-CZ3 4.13Å; P207-W373 HydrophobicContact CG-CZ3 4.4Å | ||
| 208 | F | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 130.9 | 175.3 | -70.7 | -67.6 | 0 | 0 | 0 | 110.8 | M91 K93 H136 W202 K206 C297 | M91-F208 HydrophobicContact CB-CD1 3.96Å; M91-F208 HydrophobicContact CB-CE1 4.33Å; M91-F208 WeakPolarHBondContact O-CA 3.49Å; K93-F208 HydrophobicContact CB-CD1 3.94Å; K93-F208 HydrophobicContact CB-CE1 3.67Å; K93-F208 HydrophobicContact CB-CZ 4.26Å; K93-F208 HydrophobicContact CD-CD1 4.01Å; K93-F208 HydrophobicContact CD-CD2 3.99Å; K93-F208 HydrophobicContact CD-CE1 4.03Å; K93-F208 HydrophobicContact CD-CE2 3.99Å; K93-F208 HydrophobicContact CD-CG 4Å; K93-F208 HydrophobicContact CD-CZ 4.02Å; K93-F208 HydrophobicContact CG-CD1 3.99Å; K93-F208 HydrophobicContact CG-CE1 4.12Å; K93-F208 HydrophobicContact CG-CG 4.35Å; H136-F208 HydrophobicContact CB-CE1 4.13Å; H136-F208 HydrophobicContact CB-CZ 4.49Å; H136-F208 AromaticContact CD2-CE1 3.41Å; H136-F208 VanDerWaalsContact CD2-CE1 3.41Å; H136-F208 WeakPolarHBondContact CD2-CE1 3.42Å; H136-F208 AromaticContact CD2-CZ 3.99Å; H136-F208 AromaticContact CG-CE1 3.85Å; W202-F208 HydrophobicContact CD2-CE2 4.2Å; W202-F208 HydrophobicContact CD2-CZ 4.28Å; W202-F208 AromaticContact CE2-CE2 3.94Å; W202-F208 AromaticContact CE2-CZ 3.57Å; W202-F208 HydrophobicContact CH2-CZ 4.09Å; W202-F208 HydrophobicContact CZ2-CE1 4.25Å; W202-F208 HydrophobicContact CZ2-CE2 4.18Å; W202-F208 AromaticContact CZ2-CZ 3.46Å; W202-F208 HydrophobicContact CZ2-CZ 3.46Å; W202-F208 VanDerWaalsContact CZ2-CZ 3.46Å; W202-F208 AromaticContact NE1-CZ 3.85Å; K206-F208 HydrophobicContact CB-CD2 3.88Å; K206-F208 HydrophobicContact CB-CE2 3.61Å; K206-F208 HydrophobicContact CB-CZ 4Å; K206-F208 HydrophobicContact CD-CE1 4.44Å; K206-F208 HydrophobicContact CD-CE2 4.03Å; K206-F208 HydrophobicContact CD-CZ 3.69Å; K206-F208 HydrophobicContact CG-CE2 4.42Å; K206-F208 HydrophobicContact CG-CZ 4.5Å; K206-F208 PolarHBondContact O-N 2.8Å; F208-C297 HydrophobicContact CB-CB 3.85Å; F208-C297 VanDerWaalsContact O-CA 3.25Å; F208-C297 WeakPolarHBondContact O-CA 3.47Å; F208-C297 VanDerWaalsContact O-CB 3.3Å; F208-C297 WeakPolarHBondContact O-CB 3.43Å; F208-C297 PolarHBondContact O-N 3.16Å |
| 209 | V | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -49.2 | -178.7 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | P90 M91 P207 F298 W373 L375 | P90-V209 HydrophobicContact CB-CB 4.19Å; P90-V209 HydrophobicContact CB-CG2 3.79Å; M91-V209 PolarHBondContact O-N 3.13Å; P207-V209 PolarHBondContact O-N 2.9Å; V209-F298 PolarHBondContact O-N 3.02Å; V209-W373 HydrophobicContact CB-CB 4.47Å; V209-W373 HydrophobicContact CG1-CB 3.88Å; V209-W373 HydrophobicContact CG2-CB 3.7Å; V209-W373 HydrophobicContact CG2-CD2 3.76Å; V209-W373 HydrophobicContact CG2-CE3 3.86Å; V209-W373 HydrophobicContact CG2-CG 3.7Å; V209-L375 HydrophobicContact CG1-CD1 4.36Å; V209-L375 HydrophobicContact CG1-CD2 3.77Å; V209-L375 HydrophobicContact CG1-CG 4.08Å |
| 210 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.4 | -176.1 | -179.9 | 66.4 | 0 | 0 | 0 | 110 | V92 K93 L249 C297 F298 L329 Q332 A333 L375 | V92-L210 WeakPolarHBondContact CA-O 3.03Å; V92-L210 HydrophobicContact CG1-CB 4.19Å; V92-L210 HydrophobicContact CG1-CG 4.42Å; V92-L210 WeakPolarHBondContact CG1-O 3.26Å; V92-L210 HydrophobicContact CG2-CB 4.31Å; K93-L210 PolarHBondContact N-O 3.37Å; K93-L210 VanDerWaalsContact N-O 3.15Å; L210-L249 HydrophobicContact CD1-CD1 3.73Å; L210-L249 HydrophobicContact CD1-CD2 3.97Å; L210-L249 HydrophobicContact CD1-CG 4.44Å; L210-C297 VanDerWaalsContact C-SG 3.58Å; L210-F298 CarbonylContact C-O 3.47Å; L210-F298 HydrophobicContact CD1-CB 4.48Å; L210-F298 WeakPolarHBondContact CD1-O 3.31Å; L210-L329 HydrophobicContact CD2-CD1 4.23Å; L210-L329 HydrophobicContact CD2-CG 4.37Å; L210-L329 WeakPolarHBondContact CD2-O 3.45Å; L210-Q332 HydrophobicContact CD2-CB 4Å; L210-A333 HydrophobicContact CB-CB 4.1Å; L210-A333 HydrophobicContact CD2-CB 4.11Å; L210-L375 HydrophobicContact CD1-CD1 4.35Å |
| 211 | S | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.2 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | K93 C297 F298 E299 L300 | K93-S211 VanDerWaalsContact CE-OG 3.29Å; K93-S211 WeakPolarHBondContact CE-OG 3.02Å; K93-S211 WeakPolarHBondContact CG-OG 3.48Å; K93-S211 PolarHBondContact NZ-OG 2.96Å; K93-S211 VanDerWaalsContact O-CA 3.24Å; K93-S211 WeakPolarHBondContact O-CA 3.32Å; K93-S211 PolarHBondContact O-OG 2.7Å; S211-C297 WeakPolarHBondContact CB-SG 3.47Å; S211-F298 PolarHBondContact N-O 3.29Å; S211-E299 VanDerWaalsContact CB-OE2 3.24Å; S211-E299 WeakPolarHBondContact CB-OE2 3.14Å; S211-E299 WeakPolarHBondContact O-CA 3.46Å; S211-E299 PolarHBondContact OG-OE2 3.49Å; S211-L300 PolarHBondContact O-N 2.86Å; S211-L300 VanDerWaalsContact O-N 3.08Å |
| 212 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.9 | 160 | 0 | 0 | 0 | 0 | 0 | 109.9 | K93 L94 V95 F214 L300 I302 L329 | K93-A212 PolarHBondContact O-N 3.36Å; L94-A212 HydrophobicContact CD2-CB 4.22Å; V95-A212 PolarHBondContact N-O 3.25Å; A212-F214 HydrophobicContact CB-CE1 4.38Å; A212-F214 HydrophobicContact CB-CE2 4.28Å; A212-F214 HydrophobicContact CB-CZ 3.91Å; A212-L300 CarbonylContact C-O 3.54Å; A212-L300 VanDerWaalsContact CA-O 3.32Å; A212-L300 WeakPolarHBondContact CA-O 3.26Å; A212-I302 HydrophobicContact CB-CD1 3.68Å; A212-I302 HydrophobicContact CB-CG1 4.27Å; A212-L329 HydrophobicContact CB-CD2 3.78Å |
| 213 | N | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132 | 168.6 | 76.4 | 74.3 | 0 | 0 | 0 | 109.9 | V95 H215 M287 E299 L300 T301 I302 | V95-N213 HydrophobicContact CB-CB 4.44Å; V95-N213 CarbonylContact O-C 3.38Å; V95-N213 WeakPolarHBondContact O-CA 3.38Å; N213-H215 PolarHBondContact OD1-CD2 2.89Å; N213-H215 PolarHBondContact OD1-NE2 2.83Å; N213-H215 VanDerWaalsContact OD1-NE2 3.1Å; N213-M287 HydrophobicContact CB-CE 3.38Å; N213-E299 PolarHBondContact ND2-OE1 3.08Å; N213-L300 PolarHBondContact N-O 3.08Å; N213-L300 PolarHBondContact ND2-O 3.39Å; N213-T301 PolarHBondContact ND2-OG1 2.95Å; N213-T301 VanDerWaalsContact ND2-OG1 3.14Å; N213-T301 WeakPolarHBondContact O-CA 3.46Å; N213-T301 PolarHBondContact OD1-OG1 2.88Å; N213-I302 PolarHBondContact O-N 2.83Å |
| 214 | F | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.4 | -171.9 | -61.2 | -76.9 | 0 | 0 | 0 | 112.6 | L94 V95 A96 V109 A212 Y253 I302 L304 L326 | L94-F214 HydrophobicContact CB-CE2 4.08Å; L94-F214 HydrophobicContact CD2-CE2 4.07Å; L94-F214 HydrophobicContact CD2-CZ 4.11Å; L94-F214 HydrophobicContact CG-CE2 4.48Å; V95-F214 WeakPolarHBondContact O-CD2 3.42Å; V95-F214 PolarHBondContact O-N 2.8Å; A96-F214 HydrophobicContact CB-CB 4.01Å; A96-F214 HydrophobicContact CB-CD2 4.23Å; V109-F214 HydrophobicContact CG2-CD2 3.74Å; V109-F214 HydrophobicContact CG2-CE2 3.9Å; A212-F214 HydrophobicContact CB-CE1 4.38Å; A212-F214 HydrophobicContact CB-CE2 4.28Å; A212-F214 HydrophobicContact CB-CZ 3.91Å; F214-Y253 HydrophobicContact CE1-CE2 4.06Å; F214-I302 WeakPolarHBondContact CA-O 3.44Å; F214-I302 HydrophobicContact CD1-CB 3.75Å; F214-I302 HydrophobicContact CD1-CD1 4.49Å; F214-I302 HydrophobicContact CD1-CG2 4.02Å; F214-I302 HydrophobicContact CE1-CB 3.93Å; F214-I302 HydrophobicContact CE1-CD1 3.81Å; F214-I302 HydrophobicContact CE1-CG1 4.36Å; F214-I302 HydrophobicContact CE1-CG2 4.08Å; F214-I302 HydrophobicContact CZ-CD1 4.43Å; F214-L304 HydrophobicContact CB-CD1 3.93Å; F214-L304 HydrophobicContact CB-CG 4.5Å; F214-L304 HydrophobicContact CD1-CD1 3.76Å; F214-L304 HydrophobicContact CD1-CD2 3.87Å; F214-L304 HydrophobicContact CD1-CG 3.97Å; F214-L304 HydrophobicContact CE1-CD2 4.31Å; F214-L304 HydrophobicContact CG-CD1 4.09Å; F214-L326 HydrophobicContact CE1-CD2 3.87Å; F214-L326 HydrophobicContact CE2-CD2 4.22Å; F214-L326 HydrophobicContact CZ-CD2 3.36Å |
| 215 | H | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 175.6 | -176 | -80.4 | -96.2 | 0 | 0 | 0 | 112 | I98 Q99 E102 N213 I302 E303 L304 | I98-H215 WeakPolarHBondContact CG2-CE1 3.36Å; I98-H215 VanDerWaalsContact CG2-NE2 3.3Å; I98-H215 WeakPolarHBondContact CG2-NE2 3.38Å; Q99-H215 PolarHBondContact OE1-CE1 3.19Å; Q99-H215 VanDerWaalsContact OE1-CE1 3.29Å; Q99-H215 PolarHBondContact OE1-ND1 2.82Å; E102-H215 WeakPolarHBondContact OE2-CA 3.22Å; E102-H215 WeakPolarHBondContact OE2-CB 3.34Å; E102-H215 IonicContact OE2-CE1 3.94Å; E102-H215 IonicContact OE2-CG 3.4Å; E102-H215 IonicContact OE2-ND1 3.84Å; E102-H215 PolarHBondContact OE2-ND1 2.79Å; N213-H215 PolarHBondContact OD1-CD2 2.89Å; N213-H215 PolarHBondContact OD1-NE2 2.83Å; N213-H215 VanDerWaalsContact OD1-NE2 3.1Å; H215-I302 PolarHBondContact N-O 3.25Å; H215-E303 VanDerWaalsContact C-OE2 3.31Å; H215-E303 HydrophobicContact CB-CG 4.43Å; H215-E303 WeakPolarHBondContact CB-OE1 3.19Å; H215-E303 VanDerWaalsContact CB-OE2 3.24Å; H215-E303 WeakPolarHBondContact CB-OE2 3.41Å; H215-E303 IonicContact CG-OE1 2.99Å; H215-L304 PolarHBondContact O-N 3.37Å |
| 216 | G | 98.6 | Very high | 98.7 | Very high | 4 Ų | 4 | 9.8 Ų | 9.8 | 4% | 0.041 | 6% | 0.058 | C | C | . | . | trans | -144.4 | 157.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E102 E303 | E102-G216 WeakPolarHBondContact CG-O 3.42Å; E102-G216 PolarHBondContact OE2-N 3.03Å; G216-E303 VanDerWaalsContact C-OE2 3.23Å; G216-E303 VanDerWaalsContact CA-OE2 3.3Å; G216-E303 WeakPolarHBondContact CA-OE2 3.25Å; G216-E303 PolarHBondContact N-OE2 3.17Å; G216-E303 VanDerWaalsContact N-OE2 3.09Å | ||
| 217 | G | 98.3 | Very high | 98.7 | Very high | 33 Ų | 33 | 7.1 Ų | 7.1 | 34% | 0.34 | 5% | 0.047 | S | C | . | . | S | Bend | trans | 125.4 | -24.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S305 | G217-S305 PolarHBondContact N-O 3.04Š|
| 218 | A | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.008 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -135.3 | -175.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V220 W280 E303 S305 | A218-V220 HydrophobicContact CB-CG1 4.26Å; A218-W280 HydrophobicContact CB-CH2 3.64Å; A218-W280 HydrophobicContact CB-CZ2 3.87Å; A218-E303 HydrophobicContact CB-CB 3.94Å; A218-E303 HydrophobicContact CB-CG 4.06Å; A218-E303 CarbonylContact O-C 3.55Å; A218-E303 WeakPolarHBondContact O-CB 3.46Å; A218-S305 CarbonylContact O-C 3.56Å; A218-S305 PolarHBondContact O-N 3.21Å; A218-S305 VanDerWaalsContact O-N 3.13Å |
| 219 | V | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 12.9 Ų | 12.9 | 6% | 0.055 | 8% | 0.076 | C | C | . | . | trans | -135.9 | 88.6 | 169.2 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | I259 M260 N265 E303 | V219-I259 HydrophobicContact CG1-CG2 4.29Å; V219-M260 HydrophobicContact CG1-CB 3.76Å; V219-M260 HydrophobicContact CG1-CE 4.09Å; V219-M260 HydrophobicContact CG1-CG 4.16Å; V219-N265 HydrophobicContact CB-CB 3.82Å; V219-N265 HydrophobicContact CG2-CB 4.17Å; V219-E303 WeakPolarHBondContact CA-O 3.26Å | ||
| 220 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 148.7 | -174.3 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | A218 F270 G273 T275 W280 E303 | A218-V220 HydrophobicContact CB-CG1 4.26Å; V220-F270 HydrophobicContact CB-CD2 3.54Å; V220-F270 HydrophobicContact CB-CE2 3.8Å; V220-F270 HydrophobicContact CB-CG 4.1Å; V220-F270 HydrophobicContact CG1-CD2 4.07Å; V220-F270 HydrophobicContact CG1-CE2 3.79Å; V220-F270 HydrophobicContact CG1-CZ 4.28Å; V220-F270 HydrophobicContact CG2-CB 3.83Å; V220-F270 HydrophobicContact CG2-CD1 4.1Å; V220-F270 HydrophobicContact CG2-CD2 3.55Å; V220-F270 HydrophobicContact CG2-CE2 4.06Å; V220-F270 HydrophobicContact CG2-CG 3.55Å; V220-G273 WeakPolarHBondContact CA-O 3.42Å; V220-G273 WeakPolarHBondContact CG2-O 3.21Å; V220-T275 HydrophobicContact CG1-CG2 4.4Å; V220-T275 HydrophobicContact CG2-CG2 3.76Å; V220-W280 HydrophobicContact CG1-CE3 4.45Å; V220-W280 HydrophobicContact CG1-CH2 4.3Å; V220-W280 HydrophobicContact CG1-CZ3 4.03Å; V220-E303 HydrophobicContact CG1-CB 3.96Å; V220-E303 HydrophobicContact CG1-CG 3.89Å; V220-E303 PolarHBondContact N-O 2.86Å; V220-E303 WeakPolarHBondContact O-CB 3.02Å; V220-E303 PolarHBondContact O-N 2.96Å |
| 221 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 105.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A250 M260 G273 I274 T275 | A221-A250 HydrophobicContact CB-CB 3.99Å; A221-M260 HydrophobicContact CB-SD 3.95Å; A221-M260 PolarHBondContact N-SD 2.95Å; A221-G273 PolarHBondContact N-O 2.93Å; A221-I274 HydrophobicContact CB-CG2 4.24Å; A221-I274 VanDerWaalsContact O-CA 3.23Å; A221-I274 WeakPolarHBondContact O-CA 3.41Å; A221-T275 PolarHBondContact O-N 3.01Å |
| 222 | S | 98.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 146.5 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | T275 G277 Q288 T301 | S222-T275 CarbonylContact C-O 3.47Å; S222-T275 VanDerWaalsContact CA-O 3.26Å; S222-T275 WeakPolarHBondContact CA-O 3.45Å; S222-G277 WeakPolarHBondContact OG-CA 3.31Å; S222-Q288 PolarHBondContact O-OE1 2.8Å; S222-T301 WeakPolarHBondContact CA-O 3.45Å; S222-T301 PolarHBondContact N-O 3.4Å; S222-T301 PolarHBondContact O-N 3.12Å; S222-T301 VanDerWaalsContact O-N 3.08Å; S222-T301 VanDerWaalsContact O-O 3.14Å |
| 223 | Y | 98.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 157.1 | 179.4 | 59.7 | -93.2 | 0 | 0 | 0 | 112.8 | D243 F246 K247 A250 I274 T275 N276 G277 | Y223-D243 WeakPolarHBondContact CE2-OD1 3.22Å; Y223-F246 HydrophobicContact CD2-CB 4.02Å; Y223-F246 HydrophobicContact CG-CB 4.19Å; Y223-K247 HydrophobicContact CE1-CG 4.16Å; Y223-K247 HydrophobicContact CE2-CG 4.11Å; Y223-K247 WeakPolarHBondContact OH-CE 3.34Å; Y223-A250 HydrophobicContact CD1-CB 3.83Å; Y223-I274 HydrophobicContact CE1-CB 4.24Å; Y223-I274 HydrophobicContact CE1-CD1 3.9Å; Y223-I274 HydrophobicContact CE1-CG1 4.2Å; Y223-T275 WeakPolarHBondContact CD1-O 3.35Å; Y223-T275 WeakPolarHBondContact CE1-O 3.36Å; Y223-T275 PolarHBondContact N-O 3.06Å; Y223-N276 HydrophobicContact CD2-CB 4.46Å; Y223-N276 HydrophobicContact CE2-CB 3.76Å; Y223-N276 PolarHBondContact OH-N 3Å; Y223-G277 PolarHBondContact O-N 2.79Å |
| 224 | P | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -55.4 | 157.4 | -179.5 | -33.2 | 39.5 | 0 | 0 | 0 | 116 | T240 F246 N276 Q288 D289 | P224-T240 HydrophobicContact CB-CG2 3.41Å; P224-T240 VanDerWaalsContact CB-CG2 3.41Å; P224-F246 HydrophobicContact CB-CE2 4.33Å; P224-F246 HydrophobicContact CB-CZ 4.3Å; P224-F246 HydrophobicContact CG-CD1 4.27Å; P224-F246 HydrophobicContact CG-CE1 3.74Å; P224-F246 HydrophobicContact CG-CE2 4.21Å; P224-F246 HydrophobicContact CG-CZ 3.7Å; P224-N276 VanDerWaalsContact C-ND2 3.32Å; P224-N276 PolarHBondContact O-ND2 2.99Å; P224-N276 VanDerWaalsContact O-ND2 3.08Å; P224-Q288 HydrophobicContact CG-CG 3.78Å; P224-D289 WeakPolarHBondContact CB-OD1 3.28Å |
| 225 | Y | 98.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 38 Ų | 38 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | cis | -83 | 153.8 | -9.6 | -67 | -63.4 | 0 | 0 | 0 | 112.2 | R178 S238 L239 T240 N276 A278 D289 Y292 | R178-Y225 VanDerWaalsContact NE-CD1 3.28Å; Y225-S238 WeakPolarHBondContact CB-O 3.14Å; Y225-S238 PolarHBondContact N-O 2.94Å; Y225-L239 WeakPolarHBondContact CD2-O 3.45Å; Y225-T240 HydrophobicContact CD1-CG2 3.88Å; Y225-T240 HydrophobicContact CD2-CG2 3.71Å; Y225-T240 HydrophobicContact CE1-CG2 3.85Å; Y225-T240 HydrophobicContact CE2-CG2 3.66Å; Y225-T240 HydrophobicContact CG-CG2 3.83Å; Y225-N276 PolarHBondContact N-ND2 2.85Å; Y225-N276 PolarHBondContact O-ND2 3.26Å; Y225-A278 WeakPolarHBondContact O-CB 3.29Å; Y225-A278 PolarHBondContact O-N 3.24Å; Y225-D289 WeakPolarHBondContact CA-OD2 3.46Å; Y225-D289 WeakPolarHBondContact CB-OD2 3.28Å; Y225-D289 HydrophobicContact CD1-CB 4.49Å; Y225-D289 VanDerWaalsContact CD1-OD2 3.32Å; Y225-D289 WeakPolarHBondContact CD1-OD2 3.13Å; Y225-Y292 AromaticContact CE1-CD1 3.71Å; Y225-Y292 HydrophobicContact CE1-CD1 3.71Å; Y225-Y292 HydrophobicContact CE1-CE1 4.08Å; Y225-Y292 AromaticContact CZ-CE1 3.92Å; Y225-Y292 WeakPolarHBondContact OH-CE1 3.47Å | ||
| 226 | D | 98.7 | Very high | 97.1 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -86.1 | -16.7 | 176.5 | -81.3 | -14.4 | 0 | 0 | 0 | 112.8 | G277 E282 L283 Q288 D289 | D226-G277 WeakPolarHBondContact OD1-CA 3.35Å; D226-E282 CarbonylContact O-C 3.56Å; D226-E282 VanDerWaalsContact O-CA 3.24Å; D226-E282 WeakPolarHBondContact O-CA 3.18Å; D226-L283 CarbonylContact C-O 3.39Å; D226-L283 HydrophobicContact CB-CD1 3.87Å; D226-L283 HydrophobicContact CB-CG 3.88Å; D226-L283 PolarHBondContact O-N 2.88Å; D226-Q288 PolarHBondContact OD1-NE2 3.11Å; D226-Q288 PolarHBondContact OD2-NE2 2.93Å; D226-Q288 VanDerWaalsContact OD2-NE2 3.15Å; D226-D289 PolarHBondContact N-OD1 3.41Å; D226-D289 PolarHBondContact N-OD2 3.01Å |
| 227 | N | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -142.5 | 176.3 | 174.4 | 65.2 | 9.7 | 0 | 0 | 0 | 112.9 | D177 R178 S238 E282 L283 S284 | D177-N227 PolarHBondContact OD1-ND2 3.15Å; D177-N227 PolarHBondContact OD2-ND2 2.83Å; R178-N227 PolarHBondContact NE-OD1 2.85Å; R178-N227 PolarHBondContact NH2-O 3.41Å; R178-N227 PolarHBondContact NH2-OD1 3.35Å; N227-S238 VanDerWaalsContact O-CB 3.3Å; N227-S238 WeakPolarHBondContact O-CB 3.16Å; N227-S238 PolarHBondContact O-OG 2.92Å; N227-E282 HydrophobicContact CB-CB 4.46Å; N227-L283 WeakPolarHBondContact CB-O 3.22Å; N227-S284 PolarHBondContact ND2-OG 3.02Å | ||
| 228 | S | 97.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | trans | -137.9 | 168.7 | 175.3 | 80 | 0 | 0 | 0 | 0 | 112.1 | L179 A230 H231 E282 | L179-S228 VanDerWaalsContact CD1-O 3.23Å; L179-S228 WeakPolarHBondContact CD1-O 3.32Å; S228-A230 PolarHBondContact O-N 2.93Å; S228-A230 WeakPolarHBondContact OG-CB 3.35Å; S228-A230 PolarHBondContact OG-N 3.25Å; S228-A230 VanDerWaalsContact OG-N 3.12Å; S228-H231 PolarHBondContact O-CE1 3.48Å; S228-H231 PolarHBondContact O-N 3.48Å; S228-H231 PolarHBondContact O-ND1 2.87Å; S228-H231 VanDerWaalsContact O-ND1 3.12Å; S228-H231 PolarHBondContact OG-N 3.39Å; S228-E282 WeakPolarHBondContact CB-OE1 3.3Å; S228-E282 PolarHBondContact N-OE2 3.23Å; S228-E282 PolarHBondContact OG-OE1 3.01Å | ||
| 229 | L | 94.5 | Very high | 97.1 | Very high | 144 Ų | 144 | 51 Ų | 51 | 75% | 0.754 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.3 | 170.3 | -77 | 170.7 | 0 | 0 | 0 | 112.6 | L179 H231 | L179-L229 HydrophobicContact CD1-CD2 4.33Å; L179-L229 HydrophobicContact CD1-CG 4.41Å; L179-L229 HydrophobicContact CD2-CD2 3.74Å; L179-L229 HydrophobicContact CD2-CG 3.96Å; L179-L229 HydrophobicContact CG-CD2 4.44Å; L229-H231 VanDerWaalsContact C-N 3.34Å |
| 230 | A | 94.4 | Very high | 97 | Very high | 66 Ų | 66 | 51 Ų | 51 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -22.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | S228 N232 | S228-A230 PolarHBondContact O-N 2.93Å; S228-A230 WeakPolarHBondContact OG-CB 3.35Å; S228-A230 PolarHBondContact OG-N 3.25Å; S228-A230 VanDerWaalsContact OG-N 3.12Å; A230-N232 VanDerWaalsContact C-N 3.3Å; A230-N232 PolarHBondContact O-N 2.87Å |
| 231 | H | 92.6 | Very high | 97 | Very high | 119 Ų | 119 | 53 Ų | 53 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | trans | 53.6 | 46.7 | -174.8 | -62 | -48.7 | 0 | 0 | 0 | 112.4 | S228 L229 E282 | S228-H231 PolarHBondContact O-CE1 3.48Å; S228-H231 PolarHBondContact O-N 3.48Å; S228-H231 PolarHBondContact O-ND1 2.87Å; S228-H231 VanDerWaalsContact O-ND1 3.12Å; S228-H231 PolarHBondContact OG-N 3.39Å; L229-H231 VanDerWaalsContact C-N 3.34Å; H231-E282 VanDerWaalsContact CA-OE2 3.29Å; H231-E282 WeakPolarHBondContact CA-OE2 3.4Å; H231-E282 IonicContact ND1-OE2 2.76Å | ||
| 232 | N | 92.2 | Very high | 97 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | trans | -68.2 | 152.6 | 176.1 | -63.3 | -39.7 | 0 | 0 | 0 | 109.7 | A230 E236 E282 | A230-N232 VanDerWaalsContact C-N 3.3Å; A230-N232 PolarHBondContact O-N 2.87Å; N232-E236 VanDerWaalsContact ND2-CD 3.33Å; N232-E236 PolarHBondContact ND2-OE2 3.08Å; N232-E282 WeakPolarHBondContact CB-OE1 3.34Å; N232-E282 VanDerWaalsContact N-CD 3.32Å; N232-E282 PolarHBondContact N-OE1 3.35Å; N232-E282 WeakPolarHBondContact O-CB 3.42Å; N232-E282 WeakPolarHBondContact O-CG 3.41Å | ||
| 233 | E | 92.1 | Very high | 97 | Very high | 178 Ų | 178 | 54 Ų | 54 | 83% | 0.832 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -69.6 | -43.5 | 177.3 | -174.7 | 176.5 | -177.6 | 0 | 0 | 111.7 | Y281 E282 | E233-Y281 WeakPolarHBondContact O-CA 3.34Å; E233-E282 PolarHBondContact O-N 2.85Å |
| 234 | C | 96.3 | Very high | 97 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 31% | 0.311 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -162.6 | -176.4 | 179.9 | 74.8 | 0 | 0 | 0 | 0 | 111.4 | E236 W280 | C234-E236 PolarHBondContact O-N 2.82Å; C234-E236 VanDerWaalsContact O-N 3.14Å; C234-W280 WeakPolarHBondContact CB-O 3.14Å |
| 235 | C | 96.8 | Very high | 97 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 72.5 | 11.7 | 151.8 | -48.5 | 0 | 0 | 0 | 0 | 115 | H279 | C235-H279 WeakPolarHBondContact CA-O 3.47Å; C235-H279 PolarHBondContact N-O 3.15Å |
| 236 | E | 97.8 | Very high | 97 | Very high | 116 Ų | 116 | 59.6 Ų | 59.6 | 54% | 0.542 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -127.2 | 130.9 | 171.4 | -66.5 | -166.1 | -179.4 | 0 | 0 | 109.8 | N232 C234 A278 H279 | N232-E236 VanDerWaalsContact ND2-CD 3.33Å; N232-E236 PolarHBondContact ND2-OE2 3.08Å; C234-E236 PolarHBondContact O-N 2.82Å; C234-E236 VanDerWaalsContact O-N 3.14Å; E236-A278 CarbonylContact O-C 3.56Å; E236-H279 VanDerWaalsContact O-CA 3.28Å; E236-H279 WeakPolarHBondContact O-CA 3.44Å; E236-H279 PolarHBondContact O-N 2.79Å; E236-H279 VanDerWaalsContact O-N 3.15Å |
| 237 | E | 98.1 | Very high | 97 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | trans | -71.5 | 130.6 | 178.3 | -69.7 | -170.7 | 130.3 | 0 | 0 | 111.5 | L239 K247 N276 H279 | E237-L239 HydrophobicContact CB-CD2 3.74Å; E237-L239 HydrophobicContact CB-CG 4.13Å; E237-L239 HydrophobicContact CG-CD2 4.27Å; E237-K247 IonicContact OE1-NZ 2.78Å; E237-N276 WeakPolarHBondContact CA-OD1 3.31Å; E237-N276 HydrophobicContact CG-CB 4.34Å; E237-H279 HydrophobicContact CG-CB 4Å | ||
| 238 | S | 98.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | trans | -110.5 | 88.1 | 168.7 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | Y225 N227 N276 A278 | Y225-S238 WeakPolarHBondContact CB-O 3.14Å; Y225-S238 PolarHBondContact N-O 2.94Å; N227-S238 VanDerWaalsContact O-CB 3.3Å; N227-S238 WeakPolarHBondContact O-CB 3.16Å; N227-S238 PolarHBondContact O-OG 2.92Å; S238-N276 PolarHBondContact N-OD1 2.53Å; S238-N276 PolarHBondContact O-ND2 2.89Å; S238-A278 VanDerWaalsContact CB-CB 3.48Å | ||
| 239 | L | 98.5 | Very high | 97.1 | Very high | 81 Ų | 81 | 63.8 Ų | 63.8 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | trans | -79.1 | 146.4 | -169.9 | -55.8 | -177 | 0 | 0 | 0 | 112.5 | Y225 E237 D243 | Y225-L239 WeakPolarHBondContact CD2-O 3.45Å; E237-L239 HydrophobicContact CB-CD2 3.74Å; E237-L239 HydrophobicContact CB-CG 4.13Å; E237-L239 HydrophobicContact CG-CD2 4.27Å; L239-D243 HydrophobicContact CB-CB 4.39Å | ||
| 240 | T | 98.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | trans | -86.8 | 161.5 | 168.6 | 71.4 | 0 | 0 | 0 | 0 | 111.9 | P224 Y225 D242 D243 F246 Y292 | P224-T240 HydrophobicContact CB-CG2 3.41Å; P224-T240 VanDerWaalsContact CB-CG2 3.41Å; Y225-T240 HydrophobicContact CD1-CG2 3.88Å; Y225-T240 HydrophobicContact CD2-CG2 3.71Å; Y225-T240 HydrophobicContact CE1-CG2 3.85Å; Y225-T240 HydrophobicContact CE2-CG2 3.66Å; Y225-T240 HydrophobicContact CG-CG2 3.83Å; T240-D242 PolarHBondContact O-N 2.85Å; T240-D242 VanDerWaalsContact OG1-C 3.27Å; T240-D242 PolarHBondContact OG1-N 3.42Å; T240-D243 WeakPolarHBondContact O-CB 3.33Å; T240-D243 PolarHBondContact O-N 3Å; T240-D243 VanDerWaalsContact O-N 3.14Å; T240-D243 PolarHBondContact OG1-N 3.5Å; T240-F246 HydrophobicContact CG2-CD2 4.24Å; T240-F246 HydrophobicContact CG2-CE2 4.12Å; T240-F246 WeakPolarHBondContact OG1-CD2 3.39Å; T240-Y292 HydrophobicContact CG2-CD1 4.28Å; T240-Y292 HydrophobicContact CG2-CE1 3.99Å | ||
| 241 | P | 98.6 | Very high | 97.6 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -34.2 | 166.1 | -27.5 | 35.3 | 0 | 0 | 0 | 112.9 | L359 E361 | P241-L359 HydrophobicContact CB-CD2 4.43Å; P241-L359 WeakPolarHBondContact O-CD2 3.45Å; P241-E361 HydrophobicContact CG-CB 4.04Å |
| 242 | D | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 24.2 | -178.9 | -77.7 | -64.2 | 0 | 0 | 0 | 113.6 | T240 R244 V245 F246 Y292 F298 K362 R374 | T240-D242 PolarHBondContact O-N 2.85Å; T240-D242 VanDerWaalsContact OG1-C 3.27Å; T240-D242 PolarHBondContact OG1-N 3.42Å; D242-R244 PolarHBondContact O-N 3.28Å; D242-R244 VanDerWaalsContact O-N 3.08Å; D242-V245 HydrophobicContact CB-CB 4.45Å; D242-V245 WeakPolarHBondContact O-CA 3.47Å; D242-V245 WeakPolarHBondContact O-CB 3.43Å; D242-V245 PolarHBondContact O-N 3.01Å; D242-F246 HydrophobicContact CB-CD2 4.23Å; D242-F246 HydrophobicContact CB-CE2 4.32Å; D242-F246 PolarHBondContact O-N 3.31Å; D242-Y292 HydrophobicContact CB-CE2 4.19Å; D242-Y292 WeakPolarHBondContact CB-OH 3.27Å; D242-Y292 PolarHBondContact OD2-OH 3.5Å; D242-F298 HydrophobicContact CB-CE2 3.66Å; D242-F298 HydrophobicContact CB-CZ 4.06Å; D242-F298 WeakPolarHBondContact OD2-CZ 3.42Å; D242-K362 WeakPolarHBondContact OD2-CG 3.32Å; D242-R374 IonicContact OD1-CZ 3.38Å; D242-R374 IonicContact OD1-NH1 3.81Å; D242-R374 IonicContact OD1-NH2 3.68Å; D242-R374 PolarHBondContact OD1-NH2 2.85Å; D242-R374 IonicContact OD2-CZ 3.64Å; D242-R374 VanDerWaalsContact OD2-CZ 3.28Å; D242-R374 IonicContact OD2-NH1 3.53Å; D242-R374 PolarHBondContact OD2-NH1 3.22Å; D242-R374 IonicContact OD2-NH2 3.16Å; D242-R374 PolarHBondContact OD2-NH2 3.1Å |
| 243 | D | 98.9 | Very high | 98.2 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -50.1 | -39.4 | -178 | 176.7 | 63.7 | 0 | 0 | 0 | 113 | Y223 L239 T240 V245 F246 K247 | Y223-D243 WeakPolarHBondContact CE2-OD1 3.22Å; L239-D243 HydrophobicContact CB-CB 4.39Å; T240-D243 WeakPolarHBondContact O-CB 3.33Å; T240-D243 PolarHBondContact O-N 3Å; T240-D243 VanDerWaalsContact O-N 3.14Å; T240-D243 PolarHBondContact OG1-N 3.5Å; D243-V245 VanDerWaalsContact C-N 3.33Å; D243-V245 PolarHBondContact O-N 3.06Å; D243-F246 PolarHBondContact O-N 2.7Å; D243-K247 WeakPolarHBondContact O-CB 3.49Å; D243-K247 WeakPolarHBondContact O-CG 3.34Å; D243-K247 PolarHBondContact O-N 3.1Å; D243-K247 VanDerWaalsContact OD1-CE 3.26Å; D243-K247 WeakPolarHBondContact OD1-CE 3.46Å; D243-K247 IonicContact OD1-NZ 3.21Å; D243-K247 PolarHBondContact OD1-NZ 3.46Å; D243-K247 WeakPolarHBondContact OD2-CD 3.33Å; D243-K247 VanDerWaalsContact OD2-CE 3.31Å; D243-K247 WeakPolarHBondContact OD2-CE 3.44Å; D243-K247 IonicContact OD2-NZ 3.71Å; D243-K247 PolarHBondContact OD2-NZ 3.14Å |
| 244 | R | 98.8 | Very high | 98.5 | Very high | 156 Ų | 156 | 41.4 Ų | 41.4 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -59.7 | -42 | 176.4 | -70.5 | 177.1 | 59.3 | -171.9 | -3.9 | 112.7 | D242 Q248 T377 | D242-R244 PolarHBondContact O-N 3.28Å; D242-R244 VanDerWaalsContact O-N 3.08Å; R244-Q248 PolarHBondContact O-N 2.97Å; R244-T377 HydrophobicContact CB-CG2 3.92Å; R244-T377 PolarHBondContact NE-OG1 3.08Å; R244-T377 PolarHBondContact NH2-OG1 3.31Å; R244-T377 WeakPolarHBondContact O-CG2 3.42Å |
| 245 | V | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.4 | -47.6 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 109 | D242 D243 K247 Q248 L249 F298 I335 L375 T377 | D242-V245 HydrophobicContact CB-CB 4.45Å; D242-V245 WeakPolarHBondContact O-CA 3.47Å; D242-V245 WeakPolarHBondContact O-CB 3.43Å; D242-V245 PolarHBondContact O-N 3.01Å; D243-V245 VanDerWaalsContact C-N 3.33Å; D243-V245 PolarHBondContact O-N 3.06Å; V245-K247 PolarHBondContact O-N 3.14Å; V245-Q248 WeakPolarHBondContact O-CA 3.38Å; V245-Q248 WeakPolarHBondContact O-CB 3.26Å; V245-Q248 PolarHBondContact O-N 3.2Å; V245-L249 HydrophobicContact CG1-CD1 4.02Å; V245-L249 HydrophobicContact CG1-CG 4.18Å; V245-L249 VanDerWaalsContact O-CG 3.32Å; V245-L249 WeakPolarHBondContact O-CG 3.43Å; V245-L249 PolarHBondContact O-N 3.34Å; V245-F298 HydrophobicContact CB-CE2 4.26Å; V245-F298 HydrophobicContact CG1-CD2 3.93Å; V245-F298 HydrophobicContact CG1-CE2 3.91Å; V245-I335 HydrophobicContact CG1-CD1 4.4Å; V245-L375 HydrophobicContact CG1-CB 3.89Å; V245-T377 HydrophobicContact CG2-CG2 3.96Å |
| 246 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 179.2 | -84.5 | -65.9 | 0 | 0 | 0 | 113.3 | Y223 P224 T240 D242 D243 Q248 L249 A250 Y292 F298 L300 | Y223-F246 HydrophobicContact CD2-CB 4.02Å; Y223-F246 HydrophobicContact CG-CB 4.19Å; P224-F246 HydrophobicContact CB-CE2 4.33Å; P224-F246 HydrophobicContact CB-CZ 4.3Å; P224-F246 HydrophobicContact CG-CD1 4.27Å; P224-F246 HydrophobicContact CG-CE1 3.74Å; P224-F246 HydrophobicContact CG-CE2 4.21Å; P224-F246 HydrophobicContact CG-CZ 3.7Å; T240-F246 HydrophobicContact CG2-CD2 4.24Å; T240-F246 HydrophobicContact CG2-CE2 4.12Å; T240-F246 WeakPolarHBondContact OG1-CD2 3.39Å; D242-F246 HydrophobicContact CB-CD2 4.23Å; D242-F246 HydrophobicContact CB-CE2 4.32Å; D242-F246 PolarHBondContact O-N 3.31Å; D243-F246 PolarHBondContact O-N 2.7Å; F246-Q248 VanDerWaalsContact C-N 3.33Å; F246-Q248 PolarHBondContact O-N 3.01Å; F246-L249 HydrophobicContact CD1-CD1 4.37Å; F246-L249 PolarHBondContact O-N 3.38Å; F246-A250 WeakPolarHBondContact O-CB 3.36Å; F246-A250 PolarHBondContact O-N 2.88Å; F246-Y292 AromaticContact CE2-CD2 3.66Å; F246-Y292 HydrophobicContact CE2-CD2 3.66Å; F246-Y292 AromaticContact CE2-CE2 3.64Å; F246-Y292 HydrophobicContact CE2-CE2 3.64Å; F246-Y292 HydrophobicContact CE2-CG 4.14Å; F246-Y292 AromaticContact CZ-CD2 3.64Å; F246-Y292 HydrophobicContact CZ-CD2 3.64Å; F246-Y292 HydrophobicContact CZ-CE2 4.09Å; F246-Y292 HydrophobicContact CZ-CG 4.06Å; F246-F298 HydrophobicContact CE1-CB 4.01Å; F246-F298 HydrophobicContact CE1-CD2 4.29Å; F246-F298 HydrophobicContact CE1-CG 4.43Å; F246-F298 HydrophobicContact CE2-CD2 4.02Å; F246-F298 HydrophobicContact CE2-CE2 4.37Å; F246-F298 HydrophobicContact CZ-CB 4.01Å; F246-F298 AromaticContact CZ-CD2 3.89Å; F246-F298 HydrophobicContact CZ-CD2 3.89Å; F246-F298 HydrophobicContact CZ-CG 4.02Å; F246-L300 HydrophobicContact CD1-CD2 3.91Å |
| 247 | K | 98.9 | Very high | 98.8 | Very high | 59 Ų | 59 | 36.2 Ų | 36.2 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 172.8 | -77.8 | 175.1 | 176.4 | 158 | 0 | 112 | Y223 E237 D243 V245 A250 H251 I274 | Y223-K247 HydrophobicContact CE1-CG 4.16Å; Y223-K247 HydrophobicContact CE2-CG 4.11Å; Y223-K247 WeakPolarHBondContact OH-CE 3.34Å; E237-K247 IonicContact OE1-NZ 2.78Å; D243-K247 WeakPolarHBondContact O-CB 3.49Å; D243-K247 WeakPolarHBondContact O-CG 3.34Å; D243-K247 PolarHBondContact O-N 3.1Å; D243-K247 VanDerWaalsContact OD1-CE 3.26Å; D243-K247 WeakPolarHBondContact OD1-CE 3.46Å; D243-K247 IonicContact OD1-NZ 3.21Å; D243-K247 PolarHBondContact OD1-NZ 3.46Å; D243-K247 WeakPolarHBondContact OD2-CD 3.33Å; D243-K247 VanDerWaalsContact OD2-CE 3.31Å; D243-K247 WeakPolarHBondContact OD2-CE 3.44Å; D243-K247 IonicContact OD2-NZ 3.71Å; D243-K247 PolarHBondContact OD2-NZ 3.14Å; V245-K247 PolarHBondContact O-N 3.14Å; K247-A250 PolarHBondContact O-N 3.01Å; K247-H251 VanDerWaalsContact O-CB 3.3Å; K247-H251 WeakPolarHBondContact O-CB 3.24Å; K247-H251 PolarHBondContact O-CD2 3.08Å; K247-H251 VanDerWaalsContact O-CD2 3.25Å; K247-H251 PolarHBondContact O-N 2.61Å; K247-I274 HydrophobicContact CG-CD1 4.29Å |
| 248 | Q | 98.9 | Very high | 98.8 | Very high | 49 Ų | 49 | 34 Ų | 34 | 23% | 0.229 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 174.7 | -176.6 | -178.1 | -46.7 | 0 | 0 | 111.9 | R244 V245 F246 T252 T377 | R244-Q248 PolarHBondContact O-N 2.97Å; V245-Q248 WeakPolarHBondContact O-CA 3.38Å; V245-Q248 WeakPolarHBondContact O-CB 3.26Å; V245-Q248 PolarHBondContact O-N 3.2Å; F246-Q248 VanDerWaalsContact C-N 3.33Å; F246-Q248 PolarHBondContact O-N 3.01Å; Q248-T252 WeakPolarHBondContact O-CB 3.21Å; Q248-T252 PolarHBondContact O-N 3.26Å; Q248-T252 PolarHBondContact O-OG1 2.85Å; Q248-T377 HydrophobicContact CB-CG2 4.44Å |
| 249 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.7 | -64 | 175 | 0 | 0 | 0 | 111 | L210 V245 F246 T252 Y253 F298 L300 L329 Q332 L375 | L210-L249 HydrophobicContact CD1-CD1 3.73Å; L210-L249 HydrophobicContact CD1-CD2 3.97Å; L210-L249 HydrophobicContact CD1-CG 4.44Å; V245-L249 HydrophobicContact CG1-CD1 4.02Å; V245-L249 HydrophobicContact CG1-CG 4.18Å; V245-L249 VanDerWaalsContact O-CG 3.32Å; V245-L249 WeakPolarHBondContact O-CG 3.43Å; V245-L249 PolarHBondContact O-N 3.34Å; F246-L249 HydrophobicContact CD1-CD1 4.37Å; F246-L249 PolarHBondContact O-N 3.38Å; L249-T252 WeakPolarHBondContact O-CB 3.46Å; L249-T252 PolarHBondContact O-N 3.17Å; L249-T252 VanDerWaalsContact O-N 3.17Å; L249-Y253 PolarHBondContact O-N 2.92Å; L249-F298 HydrophobicContact CD1-CB 4.24Å; L249-F298 HydrophobicContact CD1-CD2 4.39Å; L249-L300 HydrophobicContact CB-CD1 3.85Å; L249-L300 HydrophobicContact CB-CD2 4.32Å; L249-L300 HydrophobicContact CB-CG 4.3Å; L249-L329 HydrophobicContact CB-CD1 4.41Å; L249-L329 HydrophobicContact CD2-CD1 4.41Å; L249-Q332 HydrophobicContact CD2-CB 3.35Å; L249-Q332 HydrophobicContact CD2-CG 3.78Å; L249-L375 HydrophobicContact CD1-CD1 4.45Å |
| 250 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A221 Y223 F246 K247 T252 Y253 S254 I274 L300 | A221-A250 HydrophobicContact CB-CB 3.99Å; Y223-A250 HydrophobicContact CD1-CB 3.83Å; F246-A250 WeakPolarHBondContact O-CB 3.36Å; F246-A250 PolarHBondContact O-N 2.88Å; K247-A250 PolarHBondContact O-N 3.01Å; A250-T252 VanDerWaalsContact C-N 3.32Å; A250-T252 PolarHBondContact O-N 3.05Å; A250-Y253 PolarHBondContact O-N 3.15Å; A250-S254 WeakPolarHBondContact O-CB 3.49Å; A250-S254 PolarHBondContact O-N 3.05Å; A250-I274 HydrophobicContact CB-CB 4Å; A250-I274 HydrophobicContact CB-CD1 4.44Å; A250-I274 HydrophobicContact CB-CG2 3.67Å; A250-L300 HydrophobicContact CB-CD2 4.3Å |
| 251 | H | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 37.7 Ų | 37.7 | 30% | 0.296 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 172.8 | -88.1 | -64 | 0 | 0 | 0 | 112.2 | K247 Y253 S254 D255 I274 | K247-H251 VanDerWaalsContact O-CB 3.3Å; K247-H251 WeakPolarHBondContact O-CB 3.24Å; K247-H251 PolarHBondContact O-CD2 3.08Å; K247-H251 VanDerWaalsContact O-CD2 3.25Å; K247-H251 PolarHBondContact O-N 2.61Å; H251-Y253 PolarHBondContact O-N 2.81Å; H251-S254 PolarHBondContact O-N 3.23Å; H251-D255 IonicContact ND1-OD1 3.83Å; H251-D255 PolarHBondContact ND1-OD1 2.94Å; H251-D255 IonicContact ND1-OD2 3.9Å; H251-D255 WeakPolarHBondContact O-CA 3.49Å; H251-D255 WeakPolarHBondContact O-CB 3.29Å; H251-D255 PolarHBondContact O-N 3.45Å; H251-I274 VanDerWaalsContact NE2-CD1 3.31Å; H251-I274 WeakPolarHBondContact NE2-CD1 3.19Å |
| 252 | T | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.7 | -40.8 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | Q248 L249 A250 N256 Q328 Q332 | Q248-T252 WeakPolarHBondContact O-CB 3.21Å; Q248-T252 PolarHBondContact O-N 3.26Å; Q248-T252 PolarHBondContact O-OG1 2.85Å; L249-T252 WeakPolarHBondContact O-CB 3.46Å; L249-T252 PolarHBondContact O-N 3.17Å; L249-T252 VanDerWaalsContact O-N 3.17Å; A250-T252 VanDerWaalsContact C-N 3.32Å; A250-T252 PolarHBondContact O-N 3.05Å; T252-N256 PolarHBondContact O-ND2 3.29Å; T252-Q328 HydrophobicContact CG2-CB 3.66Å; T252-Q332 HydrophobicContact CG2-CG 3.73Å |
| 253 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.1 | -54 | 175.9 | -160.5 | -80.7 | 0 | 0 | 0 | 112.2 | F214 L249 A250 H251 D255 N256 H257 M260 I302 L304 N322 S325 L326 L329 | F214-Y253 HydrophobicContact CE1-CE2 4.06Å; L249-Y253 PolarHBondContact O-N 2.92Å; A250-Y253 PolarHBondContact O-N 3.15Å; H251-Y253 PolarHBondContact O-N 2.81Å; Y253-D255 PolarHBondContact O-N 2.94Å; Y253-N256 PolarHBondContact O-N 2.86Å; Y253-H257 PolarHBondContact O-N 3.09Å; Y253-M260 HydrophobicContact CD1-CE 4.09Å; Y253-M260 HydrophobicContact CD1-SD 3.88Å; Y253-M260 HydrophobicContact CE1-CE 4.04Å; Y253-M260 HydrophobicContact CE1-SD 4.42Å; Y253-I302 HydrophobicContact CD1-CD1 4.19Å; Y253-I302 HydrophobicContact CD1-CG2 3.85Å; Y253-I302 HydrophobicContact CD2-CD1 3.45Å; Y253-I302 VanDerWaalsContact CD2-CD1 3.45Å; Y253-I302 HydrophobicContact CE1-CD1 4.38Å; Y253-I302 HydrophobicContact CE1-CG2 3.49Å; Y253-I302 VanDerWaalsContact CE1-CG2 3.49Å; Y253-I302 HydrophobicContact CE2-CD1 3.63Å; Y253-I302 HydrophobicContact CE2-CG2 4.38Å; Y253-I302 HydrophobicContact CG-CD1 3.72Å; Y253-I302 HydrophobicContact CG-CG2 4.43Å; Y253-L304 HydrophobicContact CE1-CD2 4.24Å; Y253-L304 VanDerWaalsContact OH-CD2 3.27Å; Y253-L304 WeakPolarHBondContact OH-CD2 3.36Å; Y253-N322 PolarHBondContact OH-OD1 2.82Å; Y253-S325 WeakPolarHBondContact O-CB 3.48Å; Y253-S325 PolarHBondContact O-OG 2.98Å; Y253-L326 HydrophobicContact CE2-CD2 3.93Å; Y253-L326 HydrophobicContact CE2-CG 4.08Å; Y253-L329 HydrophobicContact CD2-CB 4.11Å; Y253-L329 HydrophobicContact CD2-CD2 3.85Å; Y253-L329 HydrophobicContact CE2-CD2 4.46Å |
| 254 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | -175.4 | 177.4 | 0 | 0 | 0 | 0 | 112 | A250 H251 N256 H257 R261 G272 G273 | A250-S254 WeakPolarHBondContact O-CB 3.49Å; A250-S254 PolarHBondContact O-N 3.05Å; H251-S254 PolarHBondContact O-N 3.23Å; S254-N256 PolarHBondContact O-N 2.77Å; S254-H257 PolarHBondContact O-N 3.15Å; S254-H257 VanDerWaalsContact O-O 3.06Å; S254-R261 WeakPolarHBondContact O-CB 3.45Å; S254-R261 PolarHBondContact O-N 2.7Å; S254-R261 PolarHBondContact OG-N 3.14Å; S254-G272 PolarHBondContact OG-O 3.35Å; S254-G273 WeakPolarHBondContact OG-CA 3.24Å; S254-G273 PolarHBondContact OG-O 3.33Å |
| 255 | D | 98.9 | Very high | 98.6 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 35% | 0.348 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66 | -26.6 | -175 | -65.6 | -9.3 | 0 | 0 | 0 | 112.4 | H251 Y253 R261 | H251-D255 IonicContact ND1-OD1 3.83Å; H251-D255 PolarHBondContact ND1-OD1 2.94Å; H251-D255 IonicContact ND1-OD2 3.9Å; H251-D255 WeakPolarHBondContact O-CA 3.49Å; H251-D255 WeakPolarHBondContact O-CB 3.29Å; H251-D255 PolarHBondContact O-N 3.45Å; Y253-D255 PolarHBondContact O-N 2.94Å; D255-R261 WeakPolarHBondContact O-CD 3.13Å; D255-R261 PolarHBondContact O-NH1 3.11Å |
| 256 | N | 98.9 | Very high | 98.5 | Very high | 67 Ų | 67 | 42.2 Ų | 42.2 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -87.1 | -10.6 | 174.9 | -75.6 | -83.5 | 0 | 0 | 0 | 112.9 | T252 Y253 S254 A324 S325 | T252-N256 PolarHBondContact O-ND2 3.29Å; Y253-N256 PolarHBondContact O-N 2.86Å; S254-N256 PolarHBondContact O-N 2.77Å; N256-A324 HydrophobicContact CB-CB 4.43Å; N256-S325 WeakPolarHBondContact CB-OG 3.34Å; N256-S325 PolarHBondContact O-OG 2.98Å |
| 257 | H | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -98.7 | 119.5 | -179.8 | -173.3 | -81.3 | 0 | 0 | 0 | 110.7 | Y253 S254 I259 M260 R261 R321 N322 S325 | Y253-H257 PolarHBondContact O-N 3.09Å; S254-H257 PolarHBondContact O-N 3.15Å; S254-H257 VanDerWaalsContact O-O 3.06Å; H257-I259 PolarHBondContact ND1-N 3.2Å; H257-I259 PolarHBondContact O-N 3.04Å; H257-I259 VanDerWaalsContact O-N 3.08Å; H257-M260 HydrophobicContact CB-CB 3.86Å; H257-M260 VanDerWaalsContact ND1-CB 3.33Å; H257-M260 WeakPolarHBondContact ND1-CB 3.49Å; H257-M260 PolarHBondContact ND1-N 3.26Å; H257-R261 WeakPolarHBondContact O-CB 3.29Å; H257-R261 PolarHBondContact O-N 2.94Å; H257-R321 PolarHBondContact CD2-O 3.14Å; H257-N322 PolarHBondContact CD2-OD1 2.91Å; H257-N322 PolarHBondContact NE2-OD1 2.99Å; H257-S325 WeakPolarHBondContact CA-OG 3.33Å; H257-S325 WeakPolarHBondContact CB-OG 3.37Å; H257-S325 PolarHBondContact N-OG 3.42Å; H257-S325 VanDerWaalsContact N-OG 3.09Å |
| 258 | P | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.1 | -166.5 | 26 | -35.8 | 0 | 0 | 0 | 115.2 | K262 R321 | P258-K262 WeakPolarHBondContact O-CE 3.26Å; P258-R321 HydrophobicContact CG-CB 4.07Å; P258-R321 HydrophobicContact CG-CG 3.85Å |
| 259 | I | 98.6 | Very high | 98.1 | Very high | 46 Ų | 46 | 53 Ų | 53 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -58.8 | -179.5 | -62.5 | 177.2 | 0 | 0 | 0 | 110.6 | V219 H257 R261 K262 N265 R321 | V219-I259 HydrophobicContact CG1-CG2 4.29Å; H257-I259 PolarHBondContact ND1-N 3.2Å; H257-I259 PolarHBondContact O-N 3.04Å; H257-I259 VanDerWaalsContact O-N 3.08Å; I259-R261 VanDerWaalsContact C-N 3.3Å; I259-R261 PolarHBondContact O-N 3.06Å; I259-K262 VanDerWaalsContact O-CB 3.28Å; I259-K262 WeakPolarHBondContact O-CB 3.42Å; I259-K262 WeakPolarHBondContact O-CG 3.24Å; I259-K262 PolarHBondContact O-N 3.34Å; I259-N265 WeakPolarHBondContact CG2-OD1 3.31Å; I259-N265 PolarHBondContact O-ND2 2.97Å; I259-R321 VanDerWaalsContact CD1-CZ 3.49Å |
| 260 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -40.8 | -50.5 | 172.8 | -163.7 | 176.8 | -71.3 | 0 | 0 | 114 | V219 A221 Y253 H257 K262 G263 G273 I302 E303 | V219-M260 HydrophobicContact CG1-CB 3.76Å; V219-M260 HydrophobicContact CG1-CE 4.09Å; V219-M260 HydrophobicContact CG1-CG 4.16Å; A221-M260 HydrophobicContact CB-SD 3.95Å; A221-M260 PolarHBondContact N-SD 2.95Å; Y253-M260 HydrophobicContact CD1-CE 4.09Å; Y253-M260 HydrophobicContact CD1-SD 3.88Å; Y253-M260 HydrophobicContact CE1-CE 4.04Å; Y253-M260 HydrophobicContact CE1-SD 4.42Å; H257-M260 HydrophobicContact CB-CB 3.86Å; H257-M260 VanDerWaalsContact ND1-CB 3.33Å; H257-M260 WeakPolarHBondContact ND1-CB 3.49Å; H257-M260 PolarHBondContact ND1-N 3.26Å; M260-K262 PolarHBondContact O-N 2.96Å; M260-G263 PolarHBondContact O-N 2.97Å; M260-G273 WeakPolarHBondContact CG-O 3.37Å; M260-G273 WeakPolarHBondContact O-CA 3.28Å; M260-I302 HydrophobicContact CE-CG2 3.96Å; M260-E303 WeakPolarHBondContact CE-O 3.33Å |
| 261 | R | 98.6 | Very high | 98 | Very high | 136 Ų | 136 | 59.5 Ų | 59.5 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -50.7 | -27.1 | 178.8 | -172 | 173.4 | 58.6 | -147.4 | 0.1 | 114.8 | S254 D255 H257 I259 G263 | S254-R261 WeakPolarHBondContact O-CB 3.45Å; S254-R261 PolarHBondContact O-N 2.7Å; S254-R261 PolarHBondContact OG-N 3.14Å; D255-R261 WeakPolarHBondContact O-CD 3.13Å; D255-R261 PolarHBondContact O-NH1 3.11Å; H257-R261 WeakPolarHBondContact O-CB 3.29Å; H257-R261 PolarHBondContact O-N 2.94Å; I259-R261 VanDerWaalsContact C-N 3.3Å; I259-R261 PolarHBondContact O-N 3.06Å; R261-G263 VanDerWaalsContact C-N 3.34Å |
| 262 | K | 98.3 | Very high | 98 | Very high | 144 Ų | 144 | 57.7 Ų | 57.7 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -72.1 | -29.2 | -179.5 | -58.4 | 179 | -179.1 | 177.4 | 0 | 112.7 | P258 I259 M260 N264 | P258-K262 WeakPolarHBondContact O-CE 3.26Å; I259-K262 VanDerWaalsContact O-CB 3.28Å; I259-K262 WeakPolarHBondContact O-CB 3.42Å; I259-K262 WeakPolarHBondContact O-CG 3.24Å; I259-K262 PolarHBondContact O-N 3.34Å; M260-K262 PolarHBondContact O-N 2.96Å; K262-N264 VanDerWaalsContact C-N 3.33Å; K262-N264 VanDerWaalsContact CB-OD1 3.3Å; K262-N264 WeakPolarHBondContact CB-OD1 3.36Å; K262-N264 PolarHBondContact O-N 3.22Å |
| 263 | G | 97.9 | Very high | 98 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | trans | 74.5 | 11.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | M260 R261 S269 F270 | M260-G263 PolarHBondContact O-N 2.97Å; R261-G263 VanDerWaalsContact C-N 3.34Å; G263-S269 CarbonylContact O-C 3.56Å; G263-S269 VanDerWaalsContact O-CA 3.31Å; G263-S269 WeakPolarHBondContact O-CA 3.39Å; G263-F270 WeakPolarHBondContact CA-O 3.16Å; G263-F270 PolarHBondContact O-N 3.18Å | ||
| 264 | N | 97.4 | Very high | 98 | Very high | 112 Ų | 112 | 57.5 Ų | 57.5 | 60% | 0.599 | 32% | 0.319 | S | S | * | . | trans | -133.3 | 44.8 | -173.1 | 63 | -15.8 | 0 | 0 | 0 | 112.9 | K262 D268 | K262-N264 VanDerWaalsContact C-N 3.33Å; K262-N264 VanDerWaalsContact CB-OD1 3.3Å; K262-N264 WeakPolarHBondContact CB-OD1 3.36Å; K262-N264 PolarHBondContact O-N 3.22Å; N264-D268 CarbonylContact C-O 3.56Å; N264-D268 WeakPolarHBondContact CA-O 3.32Å | ||
| 265 | N | 96.4 | Very high | 98 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | trans | -100.2 | 154.6 | -174.6 | -51.2 | -61.3 | 0 | 0 | 0 | 110.2 | V219 I259 N267 D268 | V219-N265 HydrophobicContact CB-CB 3.82Å; V219-N265 HydrophobicContact CG2-CB 4.17Å; I259-N265 WeakPolarHBondContact CG2-OD1 3.31Å; I259-N265 PolarHBondContact O-ND2 2.97Å; N265-N267 PolarHBondContact O-N 3.41Å; N265-N267 VanDerWaalsContact O-N 3.08Å; N265-D268 WeakPolarHBondContact O-CA 3.3Å; N265-D268 WeakPolarHBondContact O-CB 3.26Å; N265-D268 PolarHBondContact O-N 3.25Å | ||
| 266 | C | 96.1 | Very high | 98 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 25% | 0.25 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 21.4 | 169.6 | -31.9 | 0 | 0 | 0 | 0 | 116.4 | C306 | C266-C306 VanDerWaalsContact CA-SG 3.51Å; C266-C306 HydrophobicContact CB-CB 3.78Å; C266-C306 WeakPolarHBondContact CB-SG 3.42Å; C266-C306 PolarHBondContact N-SG 2.86Å; C266-C306 WeakPolarHBondContact SG-CA 3.47Å; C266-C306 WeakPolarHBondContact SG-CB 3.38Å; C266-C306 CovalentContact SG-SG 2.03Å; C266-C306 PolarHBondContact SG-SG 3.24Å |
| 267 | N | 95.6 | Very high | 98 | Very high | 175 Ų | 175 | 51.8 Ų | 51.8 | 94% | 0.936 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 10 | -168.6 | -50 | -52.9 | 0 | 0 | 0 | 115.1 | N265 | N265-N267 PolarHBondContact O-N 3.41Å; N265-N267 VanDerWaalsContact O-N 3.08Å |
| 268 | D | 96.2 | Very high | 98 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | trans | -92.2 | 163.9 | 172.7 | -57.4 | -50.2 | 0 | 0 | 0 | 112 | N264 N265 F270 | N264-D268 CarbonylContact C-O 3.56Å; N264-D268 WeakPolarHBondContact CA-O 3.32Å; N265-D268 WeakPolarHBondContact O-CA 3.3Å; N265-D268 WeakPolarHBondContact O-CB 3.26Å; N265-D268 PolarHBondContact O-N 3.25Å; D268-F270 HydrophobicContact CB-CD2 3.83Å; D268-F270 HydrophobicContact CB-CE2 3.32Å; D268-F270 HydrophobicContact CB-CZ 3.9Å | ||
| 269 | S | 97.6 | Very high | 98 | Very high | 110 Ų | 110 | 52.9 Ų | 52.9 | 77% | 0.769 | 29% | 0.29 | S | S | * | . | trans | -136.3 | 96.7 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | G263 | G263-S269 CarbonylContact O-C 3.56Å; G263-S269 VanDerWaalsContact O-CA 3.31Å; G263-S269 WeakPolarHBondContact O-CA 3.39Å | ||
| 270 | F | 98.3 | Very high | 97.9 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 9% | 0.088 | 29% | 0.289 | C | S | . | . | trans | -115.3 | 106.4 | 179.4 | -60.3 | -61.1 | 0 | 0 | 0 | 110.6 | V220 G263 D268 G272 G273 T275 W280 | V220-F270 HydrophobicContact CB-CD2 3.54Å; V220-F270 HydrophobicContact CB-CE2 3.8Å; V220-F270 HydrophobicContact CB-CG 4.1Å; V220-F270 HydrophobicContact CG1-CD2 4.07Å; V220-F270 HydrophobicContact CG1-CE2 3.79Å; V220-F270 HydrophobicContact CG1-CZ 4.28Å; V220-F270 HydrophobicContact CG2-CB 3.83Å; V220-F270 HydrophobicContact CG2-CD1 4.1Å; V220-F270 HydrophobicContact CG2-CD2 3.55Å; V220-F270 HydrophobicContact CG2-CE2 4.06Å; V220-F270 HydrophobicContact CG2-CG 3.55Å; G263-F270 WeakPolarHBondContact CA-O 3.16Å; G263-F270 PolarHBondContact O-N 3.18Å; D268-F270 HydrophobicContact CB-CD2 3.83Å; D268-F270 HydrophobicContact CB-CE2 3.32Å; D268-F270 HydrophobicContact CB-CZ 3.9Å; F270-G272 PolarHBondContact O-N 3.01Å; F270-G272 VanDerWaalsContact O-N 3.16Å; F270-G273 PolarHBondContact O-N 3.49Å; F270-T275 HydrophobicContact CD1-CG2 4.18Å; F270-T275 HydrophobicContact CE1-CG2 4.03Å; F270-W280 HydrophobicContact CE1-CB 4.34Å; F270-W280 AromaticContact CE1-CD1 3.93Å; F270-W280 HydrophobicContact CE1-CD2 4.23Å; F270-W280 AromaticContact CE1-CG 3.92Å; F270-W280 HydrophobicContact CE1-CG 3.92Å; F270-W280 AromaticContact CZ-CD1 3.78Å; F270-W280 AromaticContact CZ-CD2 3.82Å; F270-W280 HydrophobicContact CZ-CD2 3.82Å; F270-W280 AromaticContact CZ-CE2 3.64Å; F270-W280 AromaticContact CZ-CG 3.91Å; F270-W280 HydrophobicContact CZ-CG 3.91Å; F270-W280 HydrophobicContact CZ-CZ2 4.19Å; F270-W280 AromaticContact CZ-NE1 3.61Å | ||
| 271 | S | 98.1 | Very high | 97.9 | Very high | 115 Ų | 115 | 57.1 Ų | 57.1 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -56.2 | 123.2 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 111 | G273 | S271-G273 PolarHBondContact O-N 2.89Š|
| 272 | G | 98.1 | Very high | 97.8 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 27% | 0.268 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | 71.4 | 7.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S254 F270 I274 | S254-G272 PolarHBondContact OG-O 3.35Å; F270-G272 PolarHBondContact O-N 3.01Å; F270-G272 VanDerWaalsContact O-N 3.16Å; G272-I274 VanDerWaalsContact C-N 3.28Å; G272-I274 PolarHBondContact O-N 2.98Å |
| 273 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | 70.4 | 22.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V220 A221 S254 M260 F270 S271 | V220-G273 WeakPolarHBondContact CA-O 3.42Å; V220-G273 WeakPolarHBondContact CG2-O 3.21Å; A221-G273 PolarHBondContact N-O 2.93Å; S254-G273 WeakPolarHBondContact OG-CA 3.24Å; S254-G273 PolarHBondContact OG-O 3.33Å; M260-G273 WeakPolarHBondContact CG-O 3.37Å; M260-G273 WeakPolarHBondContact O-CA 3.28Å; F270-G273 PolarHBondContact O-N 3.49Å; S271-G273 PolarHBondContact O-N 2.89Å |
| 274 | I | 98.9 | Very high | 97.7 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 157.8 | 177 | 71 | 167.7 | 0 | 0 | 0 | 110.6 | A221 Y223 K247 A250 H251 G272 | A221-I274 HydrophobicContact CB-CG2 4.24Å; A221-I274 VanDerWaalsContact O-CA 3.23Å; A221-I274 WeakPolarHBondContact O-CA 3.41Å; Y223-I274 HydrophobicContact CE1-CB 4.24Å; Y223-I274 HydrophobicContact CE1-CD1 3.9Å; Y223-I274 HydrophobicContact CE1-CG1 4.2Å; K247-I274 HydrophobicContact CG-CD1 4.29Å; A250-I274 HydrophobicContact CB-CB 4Å; A250-I274 HydrophobicContact CB-CD1 4.44Å; A250-I274 HydrophobicContact CB-CG2 3.67Å; H251-I274 VanDerWaalsContact NE2-CD1 3.31Å; H251-I274 WeakPolarHBondContact NE2-CD1 3.19Å; G272-I274 VanDerWaalsContact C-N 3.28Å; G272-I274 PolarHBondContact O-N 2.98Å |
| 275 | T | 98.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 147.3 | 173.1 | -168 | 0 | 0 | 0 | 0 | 111.4 | V220 A221 S222 Y223 F270 W280 | V220-T275 HydrophobicContact CG1-CG2 4.4Å; V220-T275 HydrophobicContact CG2-CG2 3.76Å; A221-T275 PolarHBondContact O-N 3.01Å; S222-T275 CarbonylContact C-O 3.47Å; S222-T275 VanDerWaalsContact CA-O 3.26Å; S222-T275 WeakPolarHBondContact CA-O 3.45Å; Y223-T275 WeakPolarHBondContact CD1-O 3.35Å; Y223-T275 WeakPolarHBondContact CE1-O 3.36Å; Y223-T275 PolarHBondContact N-O 3.06Å; F270-T275 HydrophobicContact CD1-CG2 4.18Å; F270-T275 HydrophobicContact CE1-CG2 4.03Å; T275-W280 HydrophobicContact CG2-CB 4Å; T275-W280 HydrophobicContact CG2-CD2 4.45Å; T275-W280 HydrophobicContact CG2-CE3 4.09Å; T275-W280 HydrophobicContact CG2-CG 4.47Å |
| 276 | N | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.2 | 158.9 | 170.2 | -106.6 | 0 | 0 | 0 | 108.3 | Y223 P224 Y225 E237 S238 A278 H279 W280 | Y223-N276 HydrophobicContact CD2-CB 4.46Å; Y223-N276 HydrophobicContact CE2-CB 3.76Å; Y223-N276 PolarHBondContact OH-N 3Å; P224-N276 VanDerWaalsContact C-ND2 3.32Å; P224-N276 PolarHBondContact O-ND2 2.99Å; P224-N276 VanDerWaalsContact O-ND2 3.08Å; Y225-N276 PolarHBondContact N-ND2 2.85Å; Y225-N276 PolarHBondContact O-ND2 3.26Å; E237-N276 WeakPolarHBondContact CA-OD1 3.31Å; E237-N276 HydrophobicContact CG-CB 4.34Å; S238-N276 PolarHBondContact N-OD1 2.53Å; S238-N276 PolarHBondContact O-ND2 2.89Å; N276-A278 PolarHBondContact OD1-N 3Å; N276-H279 HydrophobicContact CB-CB 3.97Å; N276-H279 PolarHBondContact O-N 2.76Å; N276-H279 PolarHBondContact OD1-N 3.36Å; N276-H279 VanDerWaalsContact OD1-N 3.09Å; N276-W280 PolarHBondContact O-N 3.1Å; N276-W280 VanDerWaalsContact O-N 3.13Å |
| 277 | G | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.5 | -56.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S222 Y223 D226 H279 W280 Y281 | S222-G277 WeakPolarHBondContact OG-CA 3.31Å; Y223-G277 PolarHBondContact O-N 2.79Å; D226-G277 WeakPolarHBondContact OD1-CA 3.35Å; G277-H279 VanDerWaalsContact C-N 3.28Å; G277-H279 PolarHBondContact O-N 2.83Å; G277-W280 WeakPolarHBondContact O-CB 3.15Å; G277-W280 PolarHBondContact O-N 2.78Å; G277-Y281 PolarHBondContact O-N 2.86Å |
| 278 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -35.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y225 E236 S238 N276 W280 E282 | Y225-A278 WeakPolarHBondContact O-CB 3.29Å; Y225-A278 PolarHBondContact O-N 3.24Å; E236-A278 CarbonylContact O-C 3.56Å; S238-A278 VanDerWaalsContact CB-CB 3.48Å; N276-A278 PolarHBondContact OD1-N 3Å; A278-W280 VanDerWaalsContact C-N 3.28Å; A278-W280 PolarHBondContact O-N 3.21Å; A278-E282 HydrophobicContact CB-CG 3.85Å |
| 279 | H | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 29.5 Ų | 29.5 | 38% | 0.38 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.8 | -32.7 | 175.1 | 178.8 | -88.3 | 0 | 0 | 0 | 112.3 | C235 E236 E237 N276 G277 | C235-H279 WeakPolarHBondContact CA-O 3.47Å; C235-H279 PolarHBondContact N-O 3.15Å; E236-H279 VanDerWaalsContact O-CA 3.28Å; E236-H279 WeakPolarHBondContact O-CA 3.44Å; E236-H279 PolarHBondContact O-N 2.79Å; E236-H279 VanDerWaalsContact O-N 3.15Å; E237-H279 HydrophobicContact CG-CB 4Å; N276-H279 HydrophobicContact CB-CB 3.97Å; N276-H279 PolarHBondContact O-N 2.76Å; N276-H279 PolarHBondContact OD1-N 3.36Å; N276-H279 VanDerWaalsContact OD1-N 3.09Å; G277-H279 VanDerWaalsContact C-N 3.28Å; G277-H279 PolarHBondContact O-N 2.83Å |
| 280 | W | 98.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 24.5 Ų | 24.5 | 21% | 0.208 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73 | -58.7 | 174 | -177.4 | 15.7 | 0 | 0 | 0 | 111 | A218 V220 C234 F270 T275 N276 G277 A278 E303 | A218-W280 HydrophobicContact CB-CH2 3.64Å; A218-W280 HydrophobicContact CB-CZ2 3.87Å; V220-W280 HydrophobicContact CG1-CE3 4.45Å; V220-W280 HydrophobicContact CG1-CH2 4.3Å; V220-W280 HydrophobicContact CG1-CZ3 4.03Å; C234-W280 WeakPolarHBondContact CB-O 3.14Å; F270-W280 HydrophobicContact CE1-CB 4.34Å; F270-W280 AromaticContact CE1-CD1 3.93Å; F270-W280 HydrophobicContact CE1-CD2 4.23Å; F270-W280 AromaticContact CE1-CG 3.92Å; F270-W280 HydrophobicContact CE1-CG 3.92Å; F270-W280 AromaticContact CZ-CD1 3.78Å; F270-W280 AromaticContact CZ-CD2 3.82Å; F270-W280 HydrophobicContact CZ-CD2 3.82Å; F270-W280 AromaticContact CZ-CE2 3.64Å; F270-W280 AromaticContact CZ-CG 3.91Å; F270-W280 HydrophobicContact CZ-CG 3.91Å; F270-W280 HydrophobicContact CZ-CZ2 4.19Å; F270-W280 AromaticContact CZ-NE1 3.61Å; T275-W280 HydrophobicContact CG2-CB 4Å; T275-W280 HydrophobicContact CG2-CD2 4.45Å; T275-W280 HydrophobicContact CG2-CE3 4.09Å; T275-W280 HydrophobicContact CG2-CG 4.47Å; N276-W280 PolarHBondContact O-N 3.1Å; N276-W280 VanDerWaalsContact O-N 3.13Å; G277-W280 WeakPolarHBondContact O-CB 3.15Å; G277-W280 PolarHBondContact O-N 2.78Å; A278-W280 VanDerWaalsContact C-N 3.28Å; A278-W280 PolarHBondContact O-N 3.21Å; W280-E303 HydrophobicContact CH2-CG 4Å; W280-E303 HydrophobicContact CZ3-CG 3.98Å |
| 281 | Y | 97.5 | Very high | 98.3 | Very high | 80 Ų | 80 | 23.6 Ų | 23.6 | 31% | 0.314 | 13% | 0.134 | S | C | . | . | trans | -166.9 | 143.6 | 167.8 | 59.3 | -94.3 | 0 | 0 | 0 | 108.8 | E233 G277 L283 | E233-Y281 WeakPolarHBondContact O-CA 3.34Å; G277-Y281 PolarHBondContact O-N 2.86Å; Y281-L283 HydrophobicContact CE2-CD2 3.76Å | ||
| 282 | E | 97.9 | Very high | 98.3 | Very high | 30 Ų | 30 | 18.2 Ų | 18.2 | 14% | 0.14 | 10% | 0.096 | C | C | . | . | trans | -73.4 | 141.5 | -179.1 | -70.3 | -163.4 | -161 | 0 | 0 | 112.8 | D226 N227 S228 H231 N232 E233 A278 | D226-E282 CarbonylContact O-C 3.56Å; D226-E282 VanDerWaalsContact O-CA 3.24Å; D226-E282 WeakPolarHBondContact O-CA 3.18Å; N227-E282 HydrophobicContact CB-CB 4.46Å; S228-E282 WeakPolarHBondContact CB-OE1 3.3Å; S228-E282 PolarHBondContact N-OE2 3.23Å; S228-E282 PolarHBondContact OG-OE1 3.01Å; H231-E282 VanDerWaalsContact CA-OE2 3.29Å; H231-E282 WeakPolarHBondContact CA-OE2 3.4Å; H231-E282 IonicContact ND1-OE2 2.76Å; N232-E282 WeakPolarHBondContact CB-OE1 3.34Å; N232-E282 VanDerWaalsContact N-CD 3.32Å; N232-E282 PolarHBondContact N-OE1 3.35Å; N232-E282 WeakPolarHBondContact O-CB 3.42Å; N232-E282 WeakPolarHBondContact O-CG 3.41Å; E233-E282 PolarHBondContact O-N 2.85Å; A278-E282 HydrophobicContact CB-CG 3.85Å | ||
| 283 | L | 97.2 | Very high | 98.3 | Very high | 13 Ų | 13 | 18.9 Ų | 18.9 | 7% | 0.068 | 10% | 0.099 | C | C | . | . | trans | -141.3 | 139.2 | 166.8 | 65.9 | 92.1 | 0 | 0 | 0 | 111.8 | R173 D226 N227 Y281 | R173-L283 VanDerWaalsContact NH2-CB 3.3Å; D226-L283 CarbonylContact C-O 3.39Å; D226-L283 HydrophobicContact CB-CD1 3.87Å; D226-L283 HydrophobicContact CB-CG 3.88Å; D226-L283 PolarHBondContact O-N 2.88Å; N227-L283 WeakPolarHBondContact CB-O 3.22Å; Y281-L283 HydrophobicContact CE2-CD2 3.76Å | ||
| 284 | S | 96.7 | Very high | 98.3 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 33% | 0.329 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -108.2 | 151.2 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | R173 D177 N227 G286 | R173-S284 WeakPolarHBondContact CD-O 3.48Å; D177-S284 WeakPolarHBondContact OD1-CA 3.23Å; N227-S284 PolarHBondContact ND2-OG 3.02Å; S284-G286 VanDerWaalsContact C-N 3.31Å |
| 285 | G | 96.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 71.1 | 27.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N172 R173 D174 F175 D177 | N172-G285 CarbonylContact C-O 3.56Å; R173-G285 CarbonylContact C-O 3.29Å; R173-G285 VanDerWaalsContact CA-O 3.26Å; R173-G285 WeakPolarHBondContact CA-O 3.19Å; R173-G285 PolarHBondContact N-O 2.97Å; D174-G285 PolarHBondContact N-O 2.76Å; F175-G285 WeakPolarHBondContact CB-O 3.34Å; F175-G285 PolarHBondContact N-O 2.79Å; F175-G285 VanDerWaalsContact O-CA 3.24Å; F175-G285 WeakPolarHBondContact O-CA 3.34Å; D177-G285 PolarHBondContact OD1-N 3.03Å |
| 286 | G | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | trans | -77.6 | 152.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | N172 S284 Q288 F290 | N172-G286 WeakPolarHBondContact OD1-CA 3.4Å; S284-G286 VanDerWaalsContact C-N 3.31Å; G286-Q288 VanDerWaalsContact C-N 3.32Å; G286-Q288 PolarHBondContact O-N 3Å; G286-F290 PolarHBondContact O-N 3.43Å | ||
| 287 | M | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.9 | -33.4 | 178.8 | -172.1 | 168.8 | 63 | 0 | 0 | 112.4 | V95 I98 N172 F175 L199 I203 N213 F290 N291 | V95-M287 HydrophobicContact CB-CE 4.35Å; V95-M287 HydrophobicContact CG1-CE 3.89Å; I98-M287 HydrophobicContact CD1-CB 4.25Å; I98-M287 HydrophobicContact CD1-CE 4.16Å; I98-M287 HydrophobicContact CD1-SD 4.21Å; N172-M287 PolarHBondContact OD1-N 3.06Å; F175-M287 HydrophobicContact CD1-CB 4.39Å; F175-M287 HydrophobicContact CD1-CG 4.3Å; F175-M287 HydrophobicContact CD2-CB 3.94Å; F175-M287 HydrophobicContact CE1-CB 4.1Å; F175-M287 HydrophobicContact CE1-CG 3.67Å; F175-M287 HydrophobicContact CE1-SD 4.17Å; F175-M287 HydrophobicContact CE2-CB 3.64Å; F175-M287 HydrophobicContact CE2-CG 4Å; F175-M287 HydrophobicContact CE2-SD 4.26Å; F175-M287 HydrophobicContact CG-CB 4.32Å; F175-M287 HydrophobicContact CZ-CB 3.72Å; F175-M287 HydrophobicContact CZ-CG 3.51Å; F175-M287 HydrophobicContact CZ-SD 3.6Å; F175-M287 VanDerWaalsContact CZ-SD 3.6Å; L199-M287 HydrophobicContact CD1-SD 4.19Å; L199-M287 HydrophobicContact CD2-SD 4.34Å; I203-M287 HydrophobicContact CD1-CG 4.2Å; I203-M287 HydrophobicContact CD1-SD 4.4Å; N213-M287 HydrophobicContact CB-CE 3.38Å; M287-F290 PolarHBondContact O-N 2.98Å; M287-N291 PolarHBondContact O-N 2.83Å; M287-N291 VanDerWaalsContact O-N 3.07Å; M287-N291 PolarHBondContact O-ND2 3.47Å |
| 288 | Q | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.8 | -56.9 | -177.1 | -171.4 | -166.6 | -103.9 | 0 | 0 | 111.8 | S222 P224 D226 G286 F290 N291 Y292 E299 T301 | S222-Q288 PolarHBondContact O-OE1 2.8Å; P224-Q288 HydrophobicContact CG-CG 3.78Å; D226-Q288 PolarHBondContact OD1-NE2 3.11Å; D226-Q288 PolarHBondContact OD2-NE2 2.93Å; D226-Q288 VanDerWaalsContact OD2-NE2 3.15Å; G286-Q288 VanDerWaalsContact C-N 3.32Å; G286-Q288 PolarHBondContact O-N 3Å; Q288-F290 VanDerWaalsContact C-N 3.29Å; Q288-F290 PolarHBondContact O-N 2.7Å; Q288-N291 WeakPolarHBondContact O-CB 3.35Å; Q288-N291 PolarHBondContact O-N 3.1Å; Q288-Y292 PolarHBondContact O-N 3.19Å; Q288-E299 HydrophobicContact CG-CB 4.47Å; Q288-E299 VanDerWaalsContact CG-O 3.24Å; Q288-E299 WeakPolarHBondContact CG-O 3.28Å; Q288-T301 VanDerWaalsContact CD-OG1 3.27Å; Q288-T301 PolarHBondContact OE1-OG1 3.1Å |
| 289 | D | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.7 | -30.1 | 179.9 | -79.1 | 15.8 | 0 | 0 | 0 | 111.9 | R178 P224 Y225 D226 N291 Y292 A293 | R178-D289 IonicContact NE-OD2 3.38Å; P224-D289 WeakPolarHBondContact CB-OD1 3.28Å; Y225-D289 WeakPolarHBondContact CA-OD2 3.46Å; Y225-D289 WeakPolarHBondContact CB-OD2 3.28Å; Y225-D289 HydrophobicContact CD1-CB 4.49Å; Y225-D289 VanDerWaalsContact CD1-OD2 3.32Å; Y225-D289 WeakPolarHBondContact CD1-OD2 3.13Å; D226-D289 PolarHBondContact N-OD1 3.41Å; D226-D289 PolarHBondContact N-OD2 3.01Å; D289-N291 PolarHBondContact O-N 2.89Å; D289-Y292 PolarHBondContact O-N 3.19Å; D289-A293 VanDerWaalsContact O-CB 3.24Å; D289-A293 WeakPolarHBondContact O-CB 3.49Å; D289-A293 PolarHBondContact O-N 3.4Å |
| 290 | F | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 173.2 | 170 | -97.1 | 0 | 0 | 0 | 111.8 | F175 P176 V200 I203 V204 G286 M287 Q288 Y292 A293 F294 | F175-F290 HydrophobicContact CB-CB 3.98Å; F175-F290 HydrophobicContact CB-CG 4.3Å; F175-F290 HydrophobicContact CD1-CB 3.97Å; F175-F290 AromaticContact CD1-CD1 3.65Å; F175-F290 HydrophobicContact CD1-CD1 3.65Å; F175-F290 HydrophobicContact CD1-CD2 4.38Å; F175-F290 HydrophobicContact CD1-CE1 4.3Å; F175-F290 AromaticContact CD1-CG 3.72Å; F175-F290 HydrophobicContact CD1-CG 3.72Å; F175-F290 HydrophobicContact CE1-CD1 4.11Å; F175-F290 HydrophobicContact CG-CB 4.28Å; F175-F290 HydrophobicContact CG-CG 4.43Å; P176-F290 HydrophobicContact CB-CD2 4.11Å; P176-F290 HydrophobicContact CB-CE2 4.3Å; P176-F290 HydrophobicContact CG-CD2 3.81Å; P176-F290 HydrophobicContact CG-CE2 3.69Å; V200-F290 HydrophobicContact CB-CE1 4.46Å; V200-F290 HydrophobicContact CB-CZ 4.17Å; V200-F290 HydrophobicContact CG1-CE2 4.43Å; V200-F290 HydrophobicContact CG1-CZ 3.85Å; V200-F290 HydrophobicContact CG2-CE1 4.07Å; V200-F290 HydrophobicContact CG2-CE2 4.26Å; V200-F290 HydrophobicContact CG2-CZ 3.88Å; I203-F290 HydrophobicContact CB-CE1 4.08Å; I203-F290 HydrophobicContact CD1-CD1 3.94Å; I203-F290 HydrophobicContact CD1-CE1 3.85Å; I203-F290 HydrophobicContact CG2-CD1 4.43Å; I203-F290 HydrophobicContact CG2-CE1 3.84Å; V204-F290 HydrophobicContact CG1-CZ 4.16Å; G286-F290 PolarHBondContact O-N 3.43Å; M287-F290 PolarHBondContact O-N 2.98Å; Q288-F290 VanDerWaalsContact C-N 3.29Å; Q288-F290 PolarHBondContact O-N 2.7Å; F290-Y292 VanDerWaalsContact C-N 3.33Å; F290-Y292 PolarHBondContact O-N 3.46Å; F290-A293 PolarHBondContact O-N 3.34Å; F290-F294 HydrophobicContact CB-CD2 4.48Å; F290-F294 HydrophobicContact CD2-CB 4.04Å; F290-F294 AromaticContact CD2-CD2 3.34Å; F290-F294 HydrophobicContact CD2-CD2 3.34Å; F290-F294 AromaticContact CD2-CE2 3.97Å; F290-F294 HydrophobicContact CD2-CE2 3.97Å; F290-F294 AromaticContact CD2-CG 3.85Å; F290-F294 HydrophobicContact CD2-CG 3.85Å; F290-F294 HydrophobicContact CE2-CB 3.67Å; F290-F294 AromaticContact CE2-CD2 3.75Å; F290-F294 HydrophobicContact CE2-CD2 3.75Å; F290-F294 AromaticContact CE2-CG 3.74Å; F290-F294 HydrophobicContact CE2-CG 3.74Å; F290-F294 HydrophobicContact CG-CD2 4.17Å; F290-F294 HydrophobicContact CZ-CB 4.12Å; F290-F294 WeakPolarHBondContact O-CB 3.47Å; F290-F294 WeakPolarHBondContact O-CD2 3.43Å; F290-F294 PolarHBondContact O-N 3.27Å |
| 291 | N | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56 | -49.7 | 177.1 | -85.6 | -87.7 | 0 | 0 | 0 | 111.3 | K93 I203 M287 Q288 D289 S295 C297 E299 | K93-N291 WeakPolarHBondContact CE-OD1 3.47Å; K93-N291 PolarHBondContact NZ-OD1 3.04Å; I203-N291 WeakPolarHBondContact CG2-OD1 3.41Å; M287-N291 PolarHBondContact O-N 2.83Å; M287-N291 VanDerWaalsContact O-N 3.07Å; M287-N291 PolarHBondContact O-ND2 3.47Å; Q288-N291 WeakPolarHBondContact O-CB 3.35Å; Q288-N291 PolarHBondContact O-N 3.1Å; D289-N291 PolarHBondContact O-N 2.89Å; N291-S295 CarbonylContact O-C 3.45Å; N291-S295 WeakPolarHBondContact O-CA 3.3Å; N291-S295 WeakPolarHBondContact O-CB 3.25Å; N291-S295 PolarHBondContact O-N 3.48Å; N291-S295 VanDerWaalsContact O-N 3.07Å; N291-S295 PolarHBondContact O-OG 3.07Å; N291-C297 CarbonylContact C-O 3.58Å; N291-C297 HydrophobicContact CB-CB 4.31Å; N291-E299 HydrophobicContact CB-CB 3.77Å; N291-E299 PolarHBondContact ND2-OE1 3.24Å; N291-E299 VanDerWaalsContact ND2-OE1 3.1Å; N291-E299 PolarHBondContact ND2-OE2 2.89Å |
| 292 | Y | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.9 | -34.3 | -176.5 | -175.3 | -104.9 | 0 | 0 | 0 | 112.7 | Y225 T240 D242 F246 Q288 D289 F290 C297 F298 K362 | Y225-Y292 AromaticContact CE1-CD1 3.71Å; Y225-Y292 HydrophobicContact CE1-CD1 3.71Å; Y225-Y292 HydrophobicContact CE1-CE1 4.08Å; Y225-Y292 AromaticContact CZ-CE1 3.92Å; Y225-Y292 WeakPolarHBondContact OH-CE1 3.47Å; T240-Y292 HydrophobicContact CG2-CD1 4.28Å; T240-Y292 HydrophobicContact CG2-CE1 3.99Å; D242-Y292 HydrophobicContact CB-CE2 4.19Å; D242-Y292 WeakPolarHBondContact CB-OH 3.27Å; D242-Y292 PolarHBondContact OD2-OH 3.5Å; F246-Y292 AromaticContact CE2-CD2 3.66Å; F246-Y292 HydrophobicContact CE2-CD2 3.66Å; F246-Y292 AromaticContact CE2-CE2 3.64Å; F246-Y292 HydrophobicContact CE2-CE2 3.64Å; F246-Y292 HydrophobicContact CE2-CG 4.14Å; F246-Y292 AromaticContact CZ-CD2 3.64Å; F246-Y292 HydrophobicContact CZ-CD2 3.64Å; F246-Y292 HydrophobicContact CZ-CE2 4.09Å; F246-Y292 HydrophobicContact CZ-CG 4.06Å; Q288-Y292 PolarHBondContact O-N 3.19Å; D289-Y292 PolarHBondContact O-N 3.19Å; F290-Y292 VanDerWaalsContact C-N 3.33Å; F290-Y292 PolarHBondContact O-N 3.46Å; Y292-C297 WeakPolarHBondContact CA-O 3.45Å; Y292-C297 PolarHBondContact N-O 2.97Å; Y292-F298 HydrophobicContact CD2-CD1 4.04Å; Y292-F298 HydrophobicContact CD2-CE1 4.04Å; Y292-F298 HydrophobicContact CD2-CG 4.36Å; Y292-F298 HydrophobicContact CD2-CZ 4.38Å; Y292-F298 HydrophobicContact CE2-CD1 4.23Å; Y292-F298 AromaticContact CE2-CE1 3.81Å; Y292-F298 HydrophobicContact CE2-CE1 3.81Å; Y292-F298 HydrophobicContact CE2-CE2 4.13Å; Y292-F298 AromaticContact CE2-CZ 3.75Å; Y292-F298 HydrophobicContact CE2-CZ 3.75Å; Y292-K362 HydrophobicContact CD2-CD 4.29Å; Y292-K362 HydrophobicContact CE1-CD 4.17Å; Y292-K362 HydrophobicContact CE2-CD 3.75Å; Y292-K362 HydrophobicContact CE2-CG 3.71Å; Y292-K362 VanDerWaalsContact O-CE 3.22Å; Y292-K362 WeakPolarHBondContact O-CE 3.48Å; Y292-K362 PolarHBondContact O-NZ 2.97Å; Y292-K362 WeakPolarHBondContact OH-CG 3.19Å |
| 293 | A | 98.3 | Very high | 98.4 | Very high | 40 Ų | 40 | 13 Ų | 13 | 33% | 0.331 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -79 | -34.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R178 D289 F290 | R178-A293 HydrophobicContact CB-CB 3.68Å; D289-A293 VanDerWaalsContact O-CB 3.24Å; D289-A293 WeakPolarHBondContact O-CB 3.49Å; D289-A293 PolarHBondContact O-N 3.4Å; F290-A293 PolarHBondContact O-N 3.34Å |
| 294 | F | 97.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 12.5 Ų | 12.5 | 36% | 0.364 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -114.2 | 0.6 | -169.3 | -60.6 | -90.2 | 0 | 0 | 0 | 114.5 | P176 R178 F290 | P176-F294 HydrophobicContact CB-CE2 4.23Å; P176-F294 HydrophobicContact CB-CZ 4.11Å; P176-F294 WeakPolarHBondContact O-CE2 3.31Å; R178-F294 HydrophobicContact CB-CE2 4.47Å; F290-F294 HydrophobicContact CB-CD2 4.48Å; F290-F294 HydrophobicContact CD2-CB 4.04Å; F290-F294 AromaticContact CD2-CD2 3.34Å; F290-F294 HydrophobicContact CD2-CD2 3.34Å; F290-F294 AromaticContact CD2-CE2 3.97Å; F290-F294 HydrophobicContact CD2-CE2 3.97Å; F290-F294 AromaticContact CD2-CG 3.85Å; F290-F294 HydrophobicContact CD2-CG 3.85Å; F290-F294 HydrophobicContact CE2-CB 3.67Å; F290-F294 AromaticContact CE2-CD2 3.75Å; F290-F294 HydrophobicContact CE2-CD2 3.75Å; F290-F294 AromaticContact CE2-CG 3.74Å; F290-F294 HydrophobicContact CE2-CG 3.74Å; F290-F294 HydrophobicContact CG-CD2 4.17Å; F290-F294 HydrophobicContact CZ-CB 4.12Å; F290-F294 WeakPolarHBondContact O-CB 3.47Å; F290-F294 WeakPolarHBondContact O-CD2 3.43Å; F290-F294 PolarHBondContact O-N 3.27Å |
| 295 | S | 98.6 | Very high | 98.6 | Very high | 21 Ų | 21 | 10.7 Ų | 10.7 | 15% | 0.147 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -144.1 | -176.6 | 175.7 | 84.3 | 0 | 0 | 0 | 0 | 111.8 | N291 C297 K362 | N291-S295 CarbonylContact O-C 3.45Å; N291-S295 WeakPolarHBondContact O-CA 3.3Å; N291-S295 WeakPolarHBondContact O-CB 3.25Å; N291-S295 PolarHBondContact O-N 3.48Å; N291-S295 VanDerWaalsContact O-N 3.07Å; N291-S295 PolarHBondContact O-OG 3.07Å; S295-C297 VanDerWaalsContact C-N 3.27Å; S295-C297 VanDerWaalsContact OG-CB 3.28Å; S295-C297 WeakPolarHBondContact OG-CB 3.04Å; S295-C297 PolarHBondContact OG-N 3.49Å; S295-K362 PolarHBondContact O-NZ 3.33Å |
| 296 | N | 98.8 | Very high | 98.7 | Very high | 30 Ų | 30 | 13 Ų | 13 | 16% | 0.16 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -81.1 | -6.7 | 170.5 | -68.3 | -19.9 | 0 | 0 | 0 | 113.3 | F298 M364 R365 | N296-F298 VanDerWaalsContact O-CD1 3.31Å; N296-F298 WeakPolarHBondContact O-CD1 3.28Å; N296-M364 HydrophobicContact CB-CE 4.49Å; N296-M364 HydrophobicContact CB-SD 4.15Å; N296-R365 PolarHBondContact ND2-N 3.42Å; N296-R365 PolarHBondContact ND2-O 3.38Å; N296-R365 PolarHBondContact OD1-N 3.37Å |
| 297 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -78.6 | 132.5 | -167.4 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | K93 F208 L210 S211 N291 Y292 S295 | K93-C297 PolarHBondContact NZ-SG 3.15Å; F208-C297 HydrophobicContact CB-CB 3.85Å; F208-C297 VanDerWaalsContact O-CA 3.25Å; F208-C297 WeakPolarHBondContact O-CA 3.47Å; F208-C297 VanDerWaalsContact O-CB 3.3Å; F208-C297 WeakPolarHBondContact O-CB 3.43Å; F208-C297 PolarHBondContact O-N 3.16Å; L210-C297 VanDerWaalsContact C-SG 3.58Å; S211-C297 WeakPolarHBondContact CB-SG 3.47Å; N291-C297 CarbonylContact C-O 3.58Å; N291-C297 HydrophobicContact CB-CB 4.31Å; Y292-C297 WeakPolarHBondContact CA-O 3.45Å; Y292-C297 PolarHBondContact N-O 2.97Å; S295-C297 VanDerWaalsContact C-N 3.27Å; S295-C297 VanDerWaalsContact OG-CB 3.28Å; S295-C297 WeakPolarHBondContact OG-CB 3.04Å; S295-C297 PolarHBondContact OG-N 3.49Å | ||
| 298 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 109.2 | 174.9 | -74.6 | 41.3 | 0 | 0 | 0 | 107.1 | V209 L210 S211 D242 V245 F246 L249 Y292 N296 M364 L375 | V209-F298 PolarHBondContact O-N 3.02Å; L210-F298 CarbonylContact C-O 3.47Å; L210-F298 HydrophobicContact CD1-CB 4.48Å; L210-F298 WeakPolarHBondContact CD1-O 3.31Å; S211-F298 PolarHBondContact N-O 3.29Å; D242-F298 HydrophobicContact CB-CE2 3.66Å; D242-F298 HydrophobicContact CB-CZ 4.06Å; D242-F298 WeakPolarHBondContact OD2-CZ 3.42Å; V245-F298 HydrophobicContact CB-CE2 4.26Å; V245-F298 HydrophobicContact CG1-CD2 3.93Å; V245-F298 HydrophobicContact CG1-CE2 3.91Å; F246-F298 HydrophobicContact CE1-CB 4.01Å; F246-F298 HydrophobicContact CE1-CD2 4.29Å; F246-F298 HydrophobicContact CE1-CG 4.43Å; F246-F298 HydrophobicContact CE2-CD2 4.02Å; F246-F298 HydrophobicContact CE2-CE2 4.37Å; F246-F298 HydrophobicContact CZ-CB 4.01Å; F246-F298 AromaticContact CZ-CD2 3.89Å; F246-F298 HydrophobicContact CZ-CD2 3.89Å; F246-F298 HydrophobicContact CZ-CG 4.02Å; L249-F298 HydrophobicContact CD1-CB 4.24Å; L249-F298 HydrophobicContact CD1-CD2 4.39Å; Y292-F298 HydrophobicContact CD2-CD1 4.04Å; Y292-F298 HydrophobicContact CD2-CE1 4.04Å; Y292-F298 HydrophobicContact CD2-CG 4.36Å; Y292-F298 HydrophobicContact CD2-CZ 4.38Å; Y292-F298 HydrophobicContact CE2-CD1 4.23Å; Y292-F298 AromaticContact CE2-CE1 3.81Å; Y292-F298 HydrophobicContact CE2-CE1 3.81Å; Y292-F298 HydrophobicContact CE2-CE2 4.13Å; Y292-F298 AromaticContact CE2-CZ 3.75Å; Y292-F298 HydrophobicContact CE2-CZ 3.75Å; N296-F298 VanDerWaalsContact O-CD1 3.31Å; N296-F298 WeakPolarHBondContact O-CD1 3.28Å; F298-M364 HydrophobicContact CE1-CE 4.26Å; F298-M364 HydrophobicContact CE1-SD 4.49Å; F298-L375 HydrophobicContact CB-CD1 4.16Å; F298-L375 HydrophobicContact CD2-CD1 4.15Å; F298-L375 HydrophobicContact CE2-CB 4.46Å; F298-L375 HydrophobicContact CG-CD1 4.11Å |
| 299 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.1 | -178.7 | -170.8 | 163.6 | 101.9 | 0 | 0 | 111.4 | K93 S211 N213 Q288 N291 | K93-E299 WeakPolarHBondContact CE-OE2 3.43Å; K93-E299 IonicContact NZ-OE2 2.79Å; S211-E299 VanDerWaalsContact CB-OE2 3.24Å; S211-E299 WeakPolarHBondContact CB-OE2 3.14Å; S211-E299 WeakPolarHBondContact O-CA 3.46Å; S211-E299 PolarHBondContact OG-OE2 3.49Å; N213-E299 PolarHBondContact ND2-OE1 3.08Å; Q288-E299 HydrophobicContact CG-CB 4.47Å; Q288-E299 VanDerWaalsContact CG-O 3.24Å; Q288-E299 WeakPolarHBondContact CG-O 3.28Å; N291-E299 HydrophobicContact CB-CB 3.77Å; N291-E299 PolarHBondContact ND2-OE1 3.24Å; N291-E299 VanDerWaalsContact ND2-OE1 3.1Å; N291-E299 PolarHBondContact ND2-OE2 2.89Å |
| 300 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 153.6 | 165.8 | -65.2 | 180 | 0 | 0 | 0 | 110.8 | S211 A212 N213 F246 L249 A250 I302 L329 | S211-L300 PolarHBondContact O-N 2.86Å; S211-L300 VanDerWaalsContact O-N 3.08Å; A212-L300 CarbonylContact C-O 3.54Å; A212-L300 VanDerWaalsContact CA-O 3.32Å; A212-L300 WeakPolarHBondContact CA-O 3.26Å; N213-L300 PolarHBondContact N-O 3.08Å; N213-L300 PolarHBondContact ND2-O 3.39Å; F246-L300 HydrophobicContact CD1-CD2 3.91Å; L249-L300 HydrophobicContact CB-CD1 3.85Å; L249-L300 HydrophobicContact CB-CD2 4.32Å; L249-L300 HydrophobicContact CB-CG 4.3Å; A250-L300 HydrophobicContact CB-CD2 4.3Å; L300-I302 HydrophobicContact CB-CD1 4.43Å; L300-I302 HydrophobicContact CB-CG1 4.11Å; L300-L329 HydrophobicContact CD1-CD1 4.03Å; L300-L329 HydrophobicContact CD1-CD2 4.45Å |
| 301 | T | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 6% | 0.061 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122 | 165.6 | -58.5 | 0 | 0 | 0 | 0 | 108.4 | N213 S222 Q288 | N213-T301 PolarHBondContact ND2-OG1 2.95Å; N213-T301 VanDerWaalsContact ND2-OG1 3.14Å; N213-T301 WeakPolarHBondContact O-CA 3.46Å; N213-T301 PolarHBondContact OD1-OG1 2.88Å; S222-T301 WeakPolarHBondContact CA-O 3.45Å; S222-T301 PolarHBondContact N-O 3.4Å; S222-T301 PolarHBondContact O-N 3.12Å; S222-T301 VanDerWaalsContact O-N 3.08Å; S222-T301 VanDerWaalsContact O-O 3.14Å; Q288-T301 VanDerWaalsContact CD-OG1 3.27Å; Q288-T301 PolarHBondContact OE1-OG1 3.1Å |
| 302 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 112.3 | -172.3 | -56.2 | -177 | 0 | 0 | 0 | 109.7 | A212 N213 F214 H215 Y253 M260 L300 L304 L329 | A212-I302 HydrophobicContact CB-CD1 3.68Å; A212-I302 HydrophobicContact CB-CG1 4.27Å; N213-I302 PolarHBondContact O-N 2.83Å; F214-I302 WeakPolarHBondContact CA-O 3.44Å; F214-I302 HydrophobicContact CD1-CB 3.75Å; F214-I302 HydrophobicContact CD1-CD1 4.49Å; F214-I302 HydrophobicContact CD1-CG2 4.02Å; F214-I302 HydrophobicContact CE1-CB 3.93Å; F214-I302 HydrophobicContact CE1-CD1 3.81Å; F214-I302 HydrophobicContact CE1-CG1 4.36Å; F214-I302 HydrophobicContact CE1-CG2 4.08Å; F214-I302 HydrophobicContact CZ-CD1 4.43Å; H215-I302 PolarHBondContact N-O 3.25Å; Y253-I302 HydrophobicContact CD1-CD1 4.19Å; Y253-I302 HydrophobicContact CD1-CG2 3.85Å; Y253-I302 HydrophobicContact CD2-CD1 3.45Å; Y253-I302 VanDerWaalsContact CD2-CD1 3.45Å; Y253-I302 HydrophobicContact CE1-CD1 4.38Å; Y253-I302 HydrophobicContact CE1-CG2 3.49Å; Y253-I302 VanDerWaalsContact CE1-CG2 3.49Å; Y253-I302 HydrophobicContact CE2-CD1 3.63Å; Y253-I302 HydrophobicContact CE2-CG2 4.38Å; Y253-I302 HydrophobicContact CG-CD1 3.72Å; Y253-I302 HydrophobicContact CG-CG2 4.43Å; M260-I302 HydrophobicContact CE-CG2 3.96Å; L300-I302 HydrophobicContact CB-CD1 4.43Å; L300-I302 HydrophobicContact CB-CG1 4.11Å; I302-L304 HydrophobicContact CG2-CD2 3.7Å; I302-L304 HydrophobicContact CG2-CG 4.44Å; I302-L329 HydrophobicContact CD1-CD2 3.84Å |
| 303 | E | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 115 | 175.6 | -63.3 | -70.2 | 169.5 | 0 | 0 | 109.1 | H215 G216 A218 V219 V220 M260 W280 | H215-E303 VanDerWaalsContact C-OE2 3.31Å; H215-E303 HydrophobicContact CB-CG 4.43Å; H215-E303 WeakPolarHBondContact CB-OE1 3.19Å; H215-E303 VanDerWaalsContact CB-OE2 3.24Å; H215-E303 WeakPolarHBondContact CB-OE2 3.41Å; H215-E303 IonicContact CG-OE1 2.99Å; G216-E303 VanDerWaalsContact C-OE2 3.23Å; G216-E303 VanDerWaalsContact CA-OE2 3.3Å; G216-E303 WeakPolarHBondContact CA-OE2 3.25Å; G216-E303 PolarHBondContact N-OE2 3.17Å; G216-E303 VanDerWaalsContact N-OE2 3.09Å; A218-E303 HydrophobicContact CB-CB 3.94Å; A218-E303 HydrophobicContact CB-CG 4.06Å; A218-E303 CarbonylContact O-C 3.55Å; A218-E303 WeakPolarHBondContact O-CB 3.46Å; V219-E303 WeakPolarHBondContact CA-O 3.26Å; V220-E303 HydrophobicContact CG1-CB 3.96Å; V220-E303 HydrophobicContact CG1-CG 3.89Å; V220-E303 PolarHBondContact N-O 2.86Å; V220-E303 WeakPolarHBondContact O-CB 3.02Å; V220-E303 PolarHBondContact O-N 2.96Å; M260-E303 WeakPolarHBondContact CE-O 3.33Å; W280-E303 HydrophobicContact CH2-CG 4Å; W280-E303 HydrophobicContact CZ3-CG 3.98Å |
| 304 | L | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | trans | -93.9 | -31.4 | -168.2 | -64.9 | 176.3 | 0 | 0 | 0 | 114 | V104 G105 M108 F214 H215 Y253 I302 N322 | V104-L304 HydrophobicContact CB-CB 4.42Å; V104-L304 HydrophobicContact CB-CD1 4.44Å; V104-L304 HydrophobicContact CG1-CB 4.07Å; V104-L304 HydrophobicContact CG1-CD1 4.04Å; G105-L304 VanDerWaalsContact CA-CD1 3.43Å; M108-L304 HydrophobicContact CG-CD1 4.1Å; F214-L304 HydrophobicContact CB-CD1 3.93Å; F214-L304 HydrophobicContact CB-CG 4.5Å; F214-L304 HydrophobicContact CD1-CD1 3.76Å; F214-L304 HydrophobicContact CD1-CD2 3.87Å; F214-L304 HydrophobicContact CD1-CG 3.97Å; F214-L304 HydrophobicContact CE1-CD2 4.31Å; F214-L304 HydrophobicContact CG-CD1 4.09Å; H215-L304 PolarHBondContact O-N 3.37Å; Y253-L304 HydrophobicContact CE1-CD2 4.24Å; Y253-L304 VanDerWaalsContact OH-CD2 3.27Å; Y253-L304 WeakPolarHBondContact OH-CD2 3.36Å; I302-L304 HydrophobicContact CG2-CD2 3.7Å; I302-L304 HydrophobicContact CG2-CG 4.44Å; L304-N322 WeakPolarHBondContact CD2-OD1 3.3Å | ||
| 305 | S | 98.6 | Very high | 98.7 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 6% | 0.056 | 12% | 0.116 | C | C | . | . | trans | -151 | 139.2 | -168.8 | 55 | 0 | 0 | 0 | 0 | 111.9 | V104 G217 A218 C307 | V104-S305 VanDerWaalsContact CG2-OG 3.27Å; V104-S305 WeakPolarHBondContact CG2-OG 3.49Å; G217-S305 PolarHBondContact N-O 3.04Å; A218-S305 CarbonylContact O-C 3.56Å; A218-S305 PolarHBondContact O-N 3.21Å; A218-S305 VanDerWaalsContact O-N 3.13Å; S305-C307 WeakPolarHBondContact CB-O 3.48Å; S305-C307 PolarHBondContact O-N 3.14Å; S305-C307 PolarHBondContact OG-O 3.24Å | ||
| 306 | C | 98.5 | Very high | 98.7 | Very high | 53 Ų | 53 | 18.2 Ų | 18.2 | 36% | 0.358 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -60.1 | -38.8 | 171.6 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | C266 | C266-C306 VanDerWaalsContact CA-SG 3.51Å; C266-C306 HydrophobicContact CB-CB 3.78Å; C266-C306 WeakPolarHBondContact CB-SG 3.42Å; C266-C306 PolarHBondContact N-SG 2.86Å; C266-C306 WeakPolarHBondContact SG-CA 3.47Å; C266-C306 WeakPolarHBondContact SG-CB 3.38Å; C266-C306 CovalentContact SG-SG 2.03Å; C266-C306 PolarHBondContact SG-SG 3.24Å |
| 307 | C | 98.8 | Very high | 98.7 | Very high | 22 Ų | 22 | 21.4 Ų | 21.4 | 15% | 0.149 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -81.9 | 121.8 | 174.9 | -167.7 | 0 | 0 | 0 | 0 | 108.9 | C154 S305 P310 | C154-C307 WeakPolarHBondContact CA-SG 3.25Å; C154-C307 HydrophobicContact CB-CB 3.71Å; C154-C307 WeakPolarHBondContact CB-SG 3.3Å; C154-C307 WeakPolarHBondContact SG-CB 3.49Å; C154-C307 CovalentContact SG-SG 2.05Å; C154-C307 PolarHBondContact SG-SG 3.12Å; S305-C307 WeakPolarHBondContact CB-O 3.48Å; S305-C307 PolarHBondContact O-N 3.14Å; S305-C307 PolarHBondContact OG-O 3.24Å; C307-P310 HydrophobicContact CB-CB 4.11Å |
| 308 | K | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 22.4 Ų | 22.4 | 9% | 0.087 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -65.2 | -46.6 | -179.8 | -66.8 | -172.5 | 173.9 | -149.6 | 0 | 113.3 | D101 E102 A103 C154 S156 | D101-K308 CarbonylContact O-C 3.34Å; D101-K308 WeakPolarHBondContact O-CB 3.21Å; E102-K308 HydrophobicContact CG-CB 4.09Å; E102-K308 HydrophobicContact CG-CD 3.97Å; E102-K308 HydrophobicContact CG-CG 3.98Å; E102-K308 IonicContact OE1-NZ 2.85Å; E102-K308 PolarHBondContact OE1-NZ 2.9Å; A103-K308 PolarHBondContact N-O 3.31Å; C154-K308 WeakPolarHBondContact O-CB 3.45Å; C154-K308 VanDerWaalsContact O-CG 3.28Å; C154-K308 WeakPolarHBondContact O-CG 3.41Å; C154-K308 PolarHBondContact O-N 3.13Å; S156-K308 PolarHBondContact OG-NZ 3.48Å |
| 309 | Y | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 7% | 0.067 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -128 | 73.1 | 179.7 | -154.1 | -20.8 | 0 | 0 | 0 | 111.2 | Y35 D101 A103 F146 A149 K150 E151 G152 N153 | Y35-Y309 HydrophobicContact CD1-CE1 4.11Å; Y35-Y309 HydrophobicContact CD2-CD1 4.43Å; Y35-Y309 AromaticContact CD2-CE1 3.56Å; Y35-Y309 HydrophobicContact CD2-CE1 3.56Å; Y35-Y309 HydrophobicContact CE1-CD1 4.4Å; Y35-Y309 HydrophobicContact CE1-CE1 4.06Å; Y35-Y309 AromaticContact CE2-CD1 3.94Å; Y35-Y309 HydrophobicContact CE2-CD1 3.94Å; Y35-Y309 AromaticContact CE2-CE1 3.51Å; Y35-Y309 HydrophobicContact CE2-CE1 3.51Å; Y35-Y309 AromaticContact CG-CE1 3.84Å; Y35-Y309 HydrophobicContact CG-CE1 3.84Å; Y35-Y309 AromaticContact CZ-CD1 3.9Å; Y35-Y309 AromaticContact CZ-CE1 3.75Å; D101-Y309 WeakPolarHBondContact O-CB 3.38Å; A103-Y309 HydrophobicContact CB-CD1 3.42Å; A103-Y309 VanDerWaalsContact CB-CD1 3.42Å; A103-Y309 HydrophobicContact CB-CD2 4.15Å; A103-Y309 HydrophobicContact CB-CE1 3.59Å; A103-Y309 HydrophobicContact CB-CE2 4.29Å; A103-Y309 HydrophobicContact CB-CG 3.73Å; F146-Y309 HydrophobicContact CD2-CE2 4.41Å; F146-Y309 HydrophobicContact CE2-CE1 4.42Å; F146-Y309 HydrophobicContact CE2-CE2 4.01Å; F146-Y309 AromaticContact CE2-CZ 3.63Å; F146-Y309 WeakPolarHBondContact CE2-OH 3.45Å; F146-Y309 WeakPolarHBondContact CZ-OH 3.36Å; A149-Y309 HydrophobicContact CB-CD2 3.87Å; A149-Y309 HydrophobicContact CB-CE2 3.87Å; K150-Y309 VanDerWaalsContact C-CD2 3.42Å; K150-Y309 WeakPolarHBondContact O-CD2 3.41Å; E151-Y309 HydrophobicContact CB-CD1 4.08Å; E151-Y309 HydrophobicContact CB-CE1 3.72Å; E151-Y309 HydrophobicContact CG-CD1 4.12Å; E151-Y309 HydrophobicContact CG-CE1 3.9Å; G152-Y309 CarbonylContact C-O 3.15Å; G152-Y309 VanDerWaalsContact CA-O 3.24Å; G152-Y309 WeakPolarHBondContact CA-O 3.38Å; G152-Y309 PolarHBondContact N-O 2.8Å; N153-Y309 PolarHBondContact N-O 2.86Å; N153-Y309 WeakPolarHBondContact O-CA 3.45Å; N153-Y309 WeakPolarHBondContact O-CB 3.32Å; N153-Y309 PolarHBondContact O-N 3.17Å |
| 310 | P | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 7% | 0.071 | 17% | 0.166 | C | C | . | . | trans | -69.3 | 163 | 179 | 30.5 | -33.1 | 0 | 0 | 0 | 111.4 | Y35 V104 C307 T314 | Y35-P310 VanDerWaalsContact CE2-O 3.23Å; Y35-P310 WeakPolarHBondContact CE2-O 3.26Å; Y35-P310 WeakPolarHBondContact OH-CD 3.5Å; Y35-P310 WeakPolarHBondContact OH-CG 3.33Å; Y35-P310 PolarHBondContact OH-O 2.67Å; V104-P310 HydrophobicContact CG2-CG 3.5Å; C307-P310 HydrophobicContact CB-CB 4.11Å; P310-T314 HydrophobicContact CB-CG2 4.15Å; P310-T314 WeakPolarHBondContact CB-OG1 3.24Å | ||
| 311 | A | 98.6 | Very high | 98.6 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | trans | -61.1 | 146.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E151 S313 T314 | E151-A311 WeakPolarHBondContact OE1-CA 3.49Å; A311-S313 PolarHBondContact O-N 2.94Å; A311-T314 WeakPolarHBondContact O-CB 3.3Å; A311-T314 WeakPolarHBondContact O-CG2 3.4Å; A311-T314 PolarHBondContact O-N 3.01Å; A311-T314 PolarHBondContact O-OG1 2.6Å | ||
| 312 | A | 98.4 | Very high | 98.6 | Very high | 9 Ų | 9 | 32 Ų | 32 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -57.4 | -27.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P33 Y35 E151 T314 L315 | P33-A312 WeakPolarHBondContact CB-O 3.36Å; P33-A312 VanDerWaalsContact O-CB 3.29Å; P33-A312 WeakPolarHBondContact O-CB 3.36Å; Y35-A312 HydrophobicContact CD2-CB 4.05Å; Y35-A312 HydrophobicContact CE2-CB 4.05Å; E151-A312 PolarHBondContact OE1-N 3.28Å; A312-T314 PolarHBondContact O-N 2.74Å; A312-L315 HydrophobicContact CB-CD1 3.98Å; A312-L315 VanDerWaalsContact O-CB 3.26Å; A312-L315 WeakPolarHBondContact O-CB 3.19Å; A312-L315 WeakPolarHBondContact O-CD1 3.44Å; A312-L315 VanDerWaalsContact O-CG 3.25Å; A312-L315 WeakPolarHBondContact O-CG 3.47Å; A312-L315 PolarHBondContact O-N 2.95Å |
| 313 | S | 98.2 | Very high | 98.6 | Very high | 83 Ų | 83 | 33.7 Ų | 33.7 | 58% | 0.58 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -58 | -16.8 | 174.6 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | A311 Q317 | A311-S313 PolarHBondContact O-N 2.94Å; S313-Q317 PolarHBondContact O-OE1 2.88Å |
| 314 | T | 98.3 | Very high | 98.6 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -81.6 | -22.1 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | P310 A311 A312 Q317 E318 | P310-T314 HydrophobicContact CB-CG2 4.15Å; P310-T314 WeakPolarHBondContact CB-OG1 3.24Å; A311-T314 WeakPolarHBondContact O-CB 3.3Å; A311-T314 WeakPolarHBondContact O-CG2 3.4Å; A311-T314 PolarHBondContact O-N 3.01Å; A311-T314 PolarHBondContact O-OG1 2.6Å; A312-T314 PolarHBondContact O-N 2.74Å; T314-Q317 PolarHBondContact O-N 3.38Å; T314-Q317 PolarHBondContact O-OE1 3.37Å; T314-E318 PolarHBondContact O-N 3.12Å; T314-E318 VanDerWaalsContact O-N 3.09Å |
| 315 | L | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -41.1 | -171.4 | -67.1 | 169.5 | 0 | 0 | 0 | 114 | P33 Y35 Q107 M108 Y111 A312 Q317 E318 W319 | P33-L315 HydrophobicContact CB-CB 4.14Å; P33-L315 HydrophobicContact CB-CD1 4.27Å; Y35-L315 HydrophobicContact CD1-CD1 4.37Å; Y35-L315 HydrophobicContact CD1-CD2 4.47Å; Y35-L315 HydrophobicContact CD2-CD1 4.33Å; Y35-L315 HydrophobicContact CE1-CD1 4.22Å; Y35-L315 HydrophobicContact CE1-CD2 3.7Å; Y35-L315 HydrophobicContact CE1-CG 4.38Å; Y35-L315 HydrophobicContact CE2-CD1 4.18Å; Y35-L315 HydrophobicContact CG-CD1 4.44Å; Q107-L315 HydrophobicContact CB-CD2 3.81Å; Q107-L315 HydrophobicContact CG-CD1 4Å; Q107-L315 HydrophobicContact CG-CD2 4.02Å; M108-L315 HydrophobicContact CE-CD2 4.4Å; Y111-L315 HydrophobicContact CE2-CB 4.12Å; A312-L315 HydrophobicContact CB-CD1 3.98Å; A312-L315 VanDerWaalsContact O-CB 3.26Å; A312-L315 WeakPolarHBondContact O-CB 3.19Å; A312-L315 WeakPolarHBondContact O-CD1 3.44Å; A312-L315 VanDerWaalsContact O-CG 3.25Å; A312-L315 WeakPolarHBondContact O-CG 3.47Å; A312-L315 PolarHBondContact O-N 2.95Å; L315-Q317 VanDerWaalsContact C-N 3.29Å; L315-Q317 PolarHBondContact O-N 3.32Å; L315-E318 PolarHBondContact O-N 3.47Å; L315-W319 PolarHBondContact O-N 2.76Å |
| 316 | P | 98.3 | Very high | 98.6 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 20% | 0.201 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -34.8 | 177.3 | -23.8 | 35.8 | 0 | 0 | 0 | 113.2 | L30 P33 Q320 | L30-P316 HydrophobicContact CD2-CB 4.46Å; P33-P316 HydrophobicContact CB-CG 3.99Å; P33-P316 HydrophobicContact CG-CG 3.96Å; P316-Q320 PolarHBondContact O-N 2.93Å; P316-Q320 VanDerWaalsContact O-N 3.11Å |
| 317 | Q | 98.2 | Very high | 98.6 | Very high | 97 Ų | 97 | 33.5 Ų | 33.5 | 45% | 0.453 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73.1 | -38 | 176.1 | -62.9 | 89.2 | 36.3 | 0 | 0 | 111.4 | S313 T314 L315 Q320 R321 | S313-Q317 PolarHBondContact O-OE1 2.88Å; T314-Q317 PolarHBondContact O-N 3.38Å; T314-Q317 PolarHBondContact O-OE1 3.37Å; L315-Q317 VanDerWaalsContact C-N 3.29Å; L315-Q317 PolarHBondContact O-N 3.32Å; Q317-Q320 PolarHBondContact O-N 2.76Å; Q317-R321 WeakPolarHBondContact O-CD 3.45Å; Q317-R321 WeakPolarHBondContact O-CG 3.29Å; Q317-R321 PolarHBondContact O-N 3.33Å; Q317-R321 VanDerWaalsContact O-N 3.14Å |
| 318 | E | 98.7 | Very high | 98.6 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.5 | -59.2 | -50.7 | 159 | 0 | 0 | 111.7 | V104 M108 T314 L315 Q320 R321 N322 | V104-E318 HydrophobicContact CG1-CB 3.96Å; V104-E318 HydrophobicContact CG1-CG 4.02Å; M108-E318 HydrophobicContact CE-CB 4.15Å; M108-E318 HydrophobicContact SD-CB 4.23Å; T314-E318 PolarHBondContact O-N 3.12Å; T314-E318 VanDerWaalsContact O-N 3.09Å; L315-E318 PolarHBondContact O-N 3.47Å; E318-Q320 PolarHBondContact O-N 3.41Å; E318-R321 PolarHBondContact O-N 3.3Å; E318-R321 IonicContact OE1-CZ 3.86Å; E318-R321 IonicContact OE1-NH1 2.73Å; E318-R321 PolarHBondContact OE1-NH1 2.78Å; E318-R321 WeakPolarHBondContact OE2-CD 3.37Å; E318-R321 IonicContact OE2-CZ 3.89Å; E318-R321 IonicContact OE2-NH1 2.94Å; E318-R321 PolarHBondContact OE2-NH1 2.74Å; E318-N322 WeakPolarHBondContact O-CB 3.48Å; E318-N322 PolarHBondContact O-N 3.02Å; E318-N322 PolarHBondContact O-ND2 2.79Å |
| 319 | W | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.1 | -51.1 | 172.7 | 172.7 | -115.9 | 0 | 0 | 0 | 111.6 | D27 F29 L30 M108 Y111 M112 Y115 L315 R321 N322 K323 L326 | D27-W319 PolarHBondContact OD2-NE1 3.19Å; D27-W319 VanDerWaalsContact OD2-NE1 3.09Å; F29-W319 HydrophobicContact CE2-CD2 4.34Å; F29-W319 AromaticContact CE2-CE2 3.84Å; F29-W319 HydrophobicContact CE2-CZ2 4.15Å; F29-W319 AromaticContact CE2-NE1 3.75Å; F29-W319 AromaticContact CZ-CZ2 3.94Å; F29-W319 HydrophobicContact CZ-CZ2 3.94Å; F29-W319 AromaticContact CZ-NE1 3.99Å; L30-W319 VanDerWaalsContact CD1-CD1 3.49Å; L30-W319 HydrophobicContact CD1-CG 4.43Å; L30-W319 HydrophobicContact CD2-CB 4.08Å; L30-W319 HydrophobicContact CD2-CG 4.04Å; M108-W319 HydrophobicContact CE-CB 4.2Å; M108-W319 VanDerWaalsContact SD-CA 3.55Å; M108-W319 HydrophobicContact SD-CB 4.26Å; M108-W319 HydrophobicContact SD-CE3 4.28Å; Y111-W319 HydrophobicContact CD2-CB 4.1Å; Y111-W319 HydrophobicContact CD2-CD2 4.42Å; Y111-W319 HydrophobicContact CD2-CE3 4.31Å; Y111-W319 HydrophobicContact CD2-CG 4.36Å; Y111-W319 HydrophobicContact CG-CE3 4.47Å; M112-W319 HydrophobicContact CB-CH2 4.39Å; M112-W319 HydrophobicContact CB-CZ3 4.16Å; M112-W319 HydrophobicContact CE-CH2 3.73Å; M112-W319 HydrophobicContact CE-CZ3 3.89Å; M112-W319 HydrophobicContact SD-CH2 4.26Å; Y115-W319 HydrophobicContact CD1-CH2 4.39Å; Y115-W319 HydrophobicContact CD1-CZ2 4.4Å; Y115-W319 HydrophobicContact CD2-CZ2 4.02Å; Y115-W319 HydrophobicContact CG-CH2 4.02Å; Y115-W319 AromaticContact CG-CZ2 3.76Å; Y115-W319 HydrophobicContact CG-CZ2 3.76Å; L315-W319 PolarHBondContact O-N 2.76Å; W319-R321 PolarHBondContact O-N 2.89Å; W319-N322 PolarHBondContact O-N 2.94Å; W319-N322 VanDerWaalsContact O-N 3.12Å; W319-K323 HydrophobicContact CD2-CB 4.34Å; W319-K323 HydrophobicContact CH2-CB 4.43Å; W319-K323 HydrophobicContact CH2-CD 4.5Å; W319-K323 HydrophobicContact CH2-CG 4.08Å; W319-K323 HydrophobicContact CZ2-CB 4.21Å; W319-K323 HydrophobicContact CZ2-CD 3.66Å; W319-K323 HydrophobicContact CZ2-CG 3.73Å; W319-K323 WeakPolarHBondContact O-CB 3.48Å; W319-K323 PolarHBondContact O-N 2.77Å; W319-L326 HydrophobicContact CZ3-CD1 4.31Å |
| 320 | Q | 98.2 | Very high | 98.6 | Very high | 135 Ų | 135 | 33.7 Ų | 33.7 | 63% | 0.631 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.1 | -32 | -178.1 | -172.7 | 60.2 | 17.3 | 0 | 0 | 113 | P316 Q317 E318 | P316-Q320 PolarHBondContact O-N 2.93Å; P316-Q320 VanDerWaalsContact O-N 3.11Å; Q317-Q320 PolarHBondContact O-N 2.76Å; E318-Q320 PolarHBondContact O-N 3.41Å |
| 321 | R | 98.5 | Very high | 98.6 | Very high | 78 Ų | 78 | 37.3 Ų | 37.3 | 29% | 0.294 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -76.2 | -35.6 | 177.5 | -66.4 | 164.1 | -175.6 | 168.9 | 4.5 | 112.6 | H257 P258 I259 Q317 E318 W319 | H257-R321 PolarHBondContact CD2-O 3.14Å; P258-R321 HydrophobicContact CG-CB 4.07Å; P258-R321 HydrophobicContact CG-CG 3.85Å; I259-R321 VanDerWaalsContact CD1-CZ 3.49Å; Q317-R321 WeakPolarHBondContact O-CD 3.45Å; Q317-R321 WeakPolarHBondContact O-CG 3.29Å; Q317-R321 PolarHBondContact O-N 3.33Å; Q317-R321 VanDerWaalsContact O-N 3.14Å; E318-R321 PolarHBondContact O-N 3.3Å; E318-R321 IonicContact OE1-CZ 3.86Å; E318-R321 IonicContact OE1-NH1 2.73Å; E318-R321 PolarHBondContact OE1-NH1 2.78Å; E318-R321 WeakPolarHBondContact OE2-CD 3.37Å; E318-R321 IonicContact OE2-CZ 3.89Å; E318-R321 IonicContact OE2-NH1 2.94Å; E318-R321 PolarHBondContact OE2-NH1 2.74Å; W319-R321 PolarHBondContact O-N 2.89Å |
| 322 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -95.7 | -22 | -171.9 | -71.2 | -73.1 | 0 | 0 | 0 | 113.9 | M108 Y253 H257 L304 E318 W319 A324 S325 L326 | M108-N322 HydrophobicContact SD-CB 4.25Å; Y253-N322 PolarHBondContact OH-OD1 2.82Å; H257-N322 PolarHBondContact CD2-OD1 2.91Å; H257-N322 PolarHBondContact NE2-OD1 2.99Å; L304-N322 WeakPolarHBondContact CD2-OD1 3.3Å; E318-N322 WeakPolarHBondContact O-CB 3.48Å; E318-N322 PolarHBondContact O-N 3.02Å; E318-N322 PolarHBondContact O-ND2 2.79Å; W319-N322 PolarHBondContact O-N 2.94Å; W319-N322 VanDerWaalsContact O-N 3.12Å; N322-A324 VanDerWaalsContact C-N 3.34Å; N322-A324 PolarHBondContact O-N 3.45Å; N322-S325 PolarHBondContact O-N 3.2Å; N322-S325 VanDerWaalsContact O-N 3.11Å; N322-L326 HydrophobicContact CB-CD1 4.03Å; N322-L326 HydrophobicContact CB-CG 4.46Å; N322-L326 WeakPolarHBondContact O-CB 3.04Å; N322-L326 WeakPolarHBondContact O-CG 3.19Å; N322-L326 PolarHBondContact O-N 2.85Å |
| 323 | K | 98.6 | Very high | 98.6 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -50.7 | -49.8 | -176.8 | -175.8 | 176.1 | -167.9 | 165.8 | 0 | 112.5 | D27 W319 L327 | D27-K323 IonicContact OD1-NZ 3.58Å; D27-K323 IonicContact OD2-NZ 2.88Å; D27-K323 PolarHBondContact OD2-NZ 2.72Å; W319-K323 HydrophobicContact CD2-CB 4.34Å; W319-K323 HydrophobicContact CH2-CB 4.43Å; W319-K323 HydrophobicContact CH2-CD 4.5Å; W319-K323 HydrophobicContact CH2-CG 4.08Å; W319-K323 HydrophobicContact CZ2-CB 4.21Å; W319-K323 HydrophobicContact CZ2-CD 3.66Å; W319-K323 HydrophobicContact CZ2-CG 3.73Å; W319-K323 WeakPolarHBondContact O-CB 3.48Å; W319-K323 PolarHBondContact O-N 2.77Å; K323-L327 HydrophobicContact CG-CD1 4.25Å; K323-L327 WeakPolarHBondContact O-CB 3.32Å; K323-L327 VanDerWaalsContact O-CG 3.32Å; K323-L327 WeakPolarHBondContact O-CG 3.17Å; K323-L327 PolarHBondContact O-N 2.98Å; K323-L327 VanDerWaalsContact O-N 3.12Å |
| 324 | A | 98.6 | Very high | 98.6 | Very high | 43 Ų | 43 | 33 Ų | 33 | 36% | 0.355 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | N256 N322 L326 L327 Q328 | N256-A324 HydrophobicContact CB-CB 4.43Å; N322-A324 VanDerWaalsContact C-N 3.34Å; N322-A324 PolarHBondContact O-N 3.45Å; A324-L326 PolarHBondContact O-N 3.2Å; A324-L327 PolarHBondContact O-N 3.03Å; A324-Q328 VanDerWaalsContact O-CG 3.32Å; A324-Q328 WeakPolarHBondContact O-CG 3.37Å; A324-Q328 PolarHBondContact O-N 3.37Å |
| 325 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 179.6 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | Y253 N256 H257 N322 Q328 L329 | Y253-S325 WeakPolarHBondContact O-CB 3.48Å; Y253-S325 PolarHBondContact O-OG 2.98Å; N256-S325 WeakPolarHBondContact CB-OG 3.34Å; N256-S325 PolarHBondContact O-OG 2.98Å; H257-S325 WeakPolarHBondContact CA-OG 3.33Å; H257-S325 WeakPolarHBondContact CB-OG 3.37Å; H257-S325 PolarHBondContact N-OG 3.42Å; H257-S325 VanDerWaalsContact N-OG 3.09Å; N322-S325 PolarHBondContact O-N 3.2Å; N322-S325 VanDerWaalsContact O-N 3.11Å; S325-Q328 PolarHBondContact O-N 3.2Å; S325-L329 VanDerWaalsContact O-CB 3.32Å; S325-L329 WeakPolarHBondContact O-CB 3.28Å; S325-L329 PolarHBondContact O-N 2.75Å |
| 326 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.6 | -49.9 | 176 | -72.3 | 164.1 | 0 | 0 | 0 | 111.2 | L94 M108 M112 F214 Y253 W319 N322 A324 Q328 L329 L330 | L94-L326 HydrophobicContact CD1-CD2 4.17Å; M108-L326 HydrophobicContact CB-CD1 4.41Å; M112-L326 HydrophobicContact CE-CB 3.29Å; M112-L326 HydrophobicContact CE-CD1 3.77Å; M112-L326 HydrophobicContact CE-CG 4.14Å; F214-L326 HydrophobicContact CE1-CD2 3.87Å; F214-L326 HydrophobicContact CE2-CD2 4.22Å; F214-L326 HydrophobicContact CZ-CD2 3.36Å; Y253-L326 HydrophobicContact CE2-CD2 3.93Å; Y253-L326 HydrophobicContact CE2-CG 4.08Å; W319-L326 HydrophobicContact CZ3-CD1 4.31Å; N322-L326 HydrophobicContact CB-CD1 4.03Å; N322-L326 HydrophobicContact CB-CG 4.46Å; N322-L326 WeakPolarHBondContact O-CB 3.04Å; N322-L326 WeakPolarHBondContact O-CG 3.19Å; N322-L326 PolarHBondContact O-N 2.85Å; A324-L326 PolarHBondContact O-N 3.2Å; L326-Q328 PolarHBondContact O-N 2.93Å; L326-L329 PolarHBondContact O-N 2.85Å; L326-L330 VanDerWaalsContact O-CG 3.27Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 2.74Å |
| 327 | L | 98.8 | Very high | 98.7 | Very high | 24 Ų | 24 | 30.2 Ų | 30.2 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 178.7 | -71.8 | 171.2 | 0 | 0 | 0 | 112.4 | M112 Y115 L116 L129 K323 A324 R331 | M112-L327 HydrophobicContact CE-CD2 4.22Å; M112-L327 HydrophobicContact CE-CG 4.02Å; M112-L327 HydrophobicContact SD-CD2 4.03Å; M112-L327 HydrophobicContact SD-CG 4.49Å; Y115-L327 HydrophobicContact CE1-CD1 4.14Å; Y115-L327 HydrophobicContact CE1-CD2 4.32Å; L116-L327 HydrophobicContact CD2-CD2 3.94Å; L129-L327 HydrophobicContact CD2-CD2 4.14Å; K323-L327 HydrophobicContact CG-CD1 4.25Å; K323-L327 WeakPolarHBondContact O-CB 3.32Å; K323-L327 VanDerWaalsContact O-CG 3.32Å; K323-L327 WeakPolarHBondContact O-CG 3.17Å; K323-L327 PolarHBondContact O-N 2.98Å; K323-L327 VanDerWaalsContact O-N 3.12Å; A324-L327 PolarHBondContact O-N 3.03Å; L327-R331 WeakPolarHBondContact O-CG 3.47Å; L327-R331 PolarHBondContact O-N 3.44Å |
| 328 | Q | 98.7 | Very high | 98.7 | Very high | 61 Ų | 61 | 26.1 Ų | 26.1 | 29% | 0.285 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -69.7 | -37.6 | 178.2 | -65.1 | -51.5 | -31.6 | 0 | 0 | 112.1 | T252 A324 S325 L326 R331 Q332 | T252-Q328 HydrophobicContact CG2-CB 3.66Å; A324-Q328 VanDerWaalsContact O-CG 3.32Å; A324-Q328 WeakPolarHBondContact O-CG 3.37Å; A324-Q328 PolarHBondContact O-N 3.37Å; S325-Q328 PolarHBondContact O-N 3.2Å; L326-Q328 PolarHBondContact O-N 2.93Å; Q328-R331 WeakPolarHBondContact O-CB 3.4Å; Q328-R331 PolarHBondContact O-N 3.34Å; Q328-Q332 PolarHBondContact O-N 3.46Å |
| 329 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 175.9 | -178.5 | 63.5 | 0 | 0 | 0 | 111.2 | L210 A212 L249 Y253 L300 I302 S325 L326 R331 Q332 | L210-L329 HydrophobicContact CD2-CD1 4.23Å; L210-L329 HydrophobicContact CD2-CG 4.37Å; L210-L329 WeakPolarHBondContact CD2-O 3.45Å; A212-L329 HydrophobicContact CB-CD2 3.78Å; L249-L329 HydrophobicContact CB-CD1 4.41Å; L249-L329 HydrophobicContact CD2-CD1 4.41Å; Y253-L329 HydrophobicContact CD2-CB 4.11Å; Y253-L329 HydrophobicContact CD2-CD2 3.85Å; Y253-L329 HydrophobicContact CE2-CD2 4.46Å; L300-L329 HydrophobicContact CD1-CD1 4.03Å; L300-L329 HydrophobicContact CD1-CD2 4.45Å; I302-L329 HydrophobicContact CD1-CD2 3.84Å; S325-L329 VanDerWaalsContact O-CB 3.32Å; S325-L329 WeakPolarHBondContact O-CB 3.28Å; S325-L329 PolarHBondContact O-N 2.75Å; L326-L329 PolarHBondContact O-N 2.85Å; L329-R331 PolarHBondContact O-N 3.13Å; L329-Q332 VanDerWaalsContact O-CB 3.28Å; L329-Q332 WeakPolarHBondContact O-CB 3.29Å; L329-Q332 PolarHBondContact O-N 3.09Å |
| 330 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55 | -37.7 | 176.5 | -71.2 | 167.6 | 0 | 0 | 0 | 112 | V92 L94 M112 L116 L129 I135 L326 Q332 A333 | V92-L330 HydrophobicContact CB-CD2 4.36Å; V92-L330 HydrophobicContact CG1-CD2 3.65Å; L94-L330 HydrophobicContact CD1-CD1 4.42Å; L94-L330 HydrophobicContact CD1-CD2 4.13Å; L94-L330 HydrophobicContact CD2-CD2 4.18Å; L94-L330 HydrophobicContact CG-CD2 4.12Å; M112-L330 HydrophobicContact CG-CD1 4.42Å; M112-L330 HydrophobicContact SD-CD1 4.41Å; L116-L330 HydrophobicContact CD1-CD1 4.33Å; L129-L330 HydrophobicContact CD1-CB 4.28Å; L129-L330 HydrophobicContact CD2-CB 4.19Å; L129-L330 HydrophobicContact CD2-CD1 4.13Å; I135-L330 HydrophobicContact CD1-CD1 4.03Å; I135-L330 HydrophobicContact CD1-CD2 4.12Å; I135-L330 HydrophobicContact CG1-CD2 4.35Å; I135-L330 HydrophobicContact CG2-CD2 3.74Å; L326-L330 VanDerWaalsContact O-CG 3.27Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 2.74Å; L330-Q332 VanDerWaalsContact C-N 3.27Å; L330-Q332 PolarHBondContact O-N 2.8Å; L330-A333 WeakPolarHBondContact O-CB 3.43Å; L330-A333 PolarHBondContact O-N 2.93Å |
| 331 | R | 98.6 | Very high | 98.7 | Very high | 86 Ų | 86 | 19.9 Ų | 19.9 | 33% | 0.325 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -67.5 | -23.9 | 175.5 | -69 | 169.4 | -179.5 | -169.5 | -3.7 | 113.7 | L129 L327 Q328 L329 A333 H334 | L129-R331 HydrophobicContact CD1-CG 4.3Å; L327-R331 WeakPolarHBondContact O-CG 3.47Å; L327-R331 PolarHBondContact O-N 3.44Å; Q328-R331 WeakPolarHBondContact O-CB 3.4Å; Q328-R331 PolarHBondContact O-N 3.34Å; L329-R331 PolarHBondContact O-N 3.13Å; R331-A333 PolarHBondContact O-N 3.36Å; R331-A333 VanDerWaalsContact O-N 3.17Å; R331-H334 WeakPolarHBondContact O-CB 3.29Å; R331-H334 PolarHBondContact O-N 3.19Å; R331-H334 VanDerWaalsContact O-N 3.09Å |
| 332 | Q | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 16.9 Ų | 16.9 | 13% | 0.126 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -65.5 | -15.3 | 177.2 | -64.9 | -65.1 | -68 | 0 | 0 | 112.8 | L210 L249 T252 Q328 L329 L330 H334 I335 | L210-Q332 HydrophobicContact CD2-CB 4Å; L249-Q332 HydrophobicContact CD2-CB 3.35Å; L249-Q332 HydrophobicContact CD2-CG 3.78Å; T252-Q332 HydrophobicContact CG2-CG 3.73Å; Q328-Q332 PolarHBondContact O-N 3.46Å; L329-Q332 VanDerWaalsContact O-CB 3.28Å; L329-Q332 WeakPolarHBondContact O-CB 3.29Å; L329-Q332 PolarHBondContact O-N 3.09Å; L330-Q332 VanDerWaalsContact C-N 3.27Å; L330-Q332 PolarHBondContact O-N 2.8Å; Q332-H334 PolarHBondContact O-N 3.32Å; Q332-I335 WeakPolarHBondContact O-CG1 3.18Å; Q332-I335 PolarHBondContact O-N 2.64Å |
| 333 | A | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -62.4 | -10.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P90 V92 L210 L330 R331 | P90-A333 HydrophobicContact CB-CB 4.31Å; P90-A333 HydrophobicContact CG-CB 4.33Å; V92-A333 HydrophobicContact CG2-CB 3.32Å; L210-A333 HydrophobicContact CB-CB 4.1Å; L210-A333 HydrophobicContact CD2-CB 4.11Å; L330-A333 WeakPolarHBondContact O-CB 3.43Å; L330-A333 PolarHBondContact O-N 2.93Å; R331-A333 PolarHBondContact O-N 3.36Å; R331-A333 VanDerWaalsContact O-N 3.17Å |
| 334 | H | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 19.9 Ų | 19.9 | 6% | 0.06 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -105.1 | 7.9 | 179.6 | -65.6 | -67.9 | 0 | 0 | 0 | 114.5 | P90 L132 T133 R331 Q332 Q405 E406 A407 | P90-H334 VanDerWaalsContact CG-CE1 3.45Å; P90-H334 WeakPolarHBondContact CG-CE1 3.49Å; L132-H334 PolarHBondContact O-CE1 2.67Å; L132-H334 VanDerWaalsContact O-CE1 3.25Å; T133-H334 PolarHBondContact OG1-CE1 3.07Å; T133-H334 PolarHBondContact OG1-NE2 2.61Å; R331-H334 WeakPolarHBondContact O-CB 3.29Å; R331-H334 PolarHBondContact O-N 3.19Å; R331-H334 VanDerWaalsContact O-N 3.09Å; Q332-H334 PolarHBondContact O-N 3.32Å; H334-Q405 VanDerWaalsContact CB-O 3.31Å; H334-Q405 WeakPolarHBondContact CB-O 3.13Å; H334-E406 CarbonylContact O-C 3.54Å; H334-A407 WeakPolarHBondContact O-CA 3.48Å; H334-A407 WeakPolarHBondContact O-CB 3.33Å; H334-A407 PolarHBondContact O-N 3.36Å |
| 335 | I | 98.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -80.9 | 161.7 | 174.1 | 73.9 | 179.9 | 0 | 0 | 0 | 111.5 | V245 Q332 L375 N402 | V245-I335 HydrophobicContact CG1-CD1 4.4Å; Q332-I335 WeakPolarHBondContact O-CG1 3.18Å; Q332-I335 PolarHBondContact O-N 2.64Å; I335-L375 HydrophobicContact CD1-CB 4.37Å; I335-L375 HydrophobicContact CG1-CB 4.06Å; I335-L375 HydrophobicContact CG1-CD2 3.95Å; I335-N402 HydrophobicContact CG2-CB 4.38Å |
| 336 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 79.6 | -129.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | N402 L408 | G336-N402 PolarHBondContact N-OD1 2.95Å; G336-L408 PolarHBondContact O-N 3.05Å |
| 337 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.3 | -175.1 | 64.6 | 175.9 | 0 | 0 | 0 | 111.5 | Y372 R374 L376 V383 V398 V400 L408 L410 | I337-Y372 HydrophobicContact CD1-CE2 4.01Å; I337-Y372 HydrophobicContact CG1-CE2 4.01Å; I337-R374 HydrophobicContact CD1-CB 4.31Å; I337-R374 HydrophobicContact CG1-CB 3.77Å; I337-R374 HydrophobicContact CG1-CG 4.44Å; I337-R374 PolarHBondContact N-O 3.07Å; I337-R374 PolarHBondContact O-N 3.07Å; I337-L376 HydrophobicContact CD1-CD1 4.24Å; I337-L376 HydrophobicContact CG1-CD1 4.15Å; I337-L376 HydrophobicContact CG2-CD1 4.43Å; I337-V383 HydrophobicContact CD1-CB 4.46Å; I337-V383 HydrophobicContact CD1-CG1 3.9Å; I337-V383 HydrophobicContact CD1-CG2 3.93Å; I337-V398 HydrophobicContact CG2-CG1 4.1Å; I337-V398 HydrophobicContact CG2-CG2 4Å; I337-V400 HydrophobicContact CG2-CG2 3.82Å; I337-L408 CarbonylContact C-O 3.56Å; I337-L408 VanDerWaalsContact CA-O 3.23Å; I337-L408 WeakPolarHBondContact CA-O 3.47Å; I337-L408 HydrophobicContact CG2-CB 4.26Å; I337-L410 HydrophobicContact CD1-CD2 4.12Å |
| 338 | K | 98.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 33 Ų | 33 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 161.9 | 170 | 66.7 | -175.9 | -177.9 | 175.8 | 0 | 110.4 | L88 Y372 W373 E406 A407 L408 R409 L410 | L88-K338 HydrophobicContact CB-CD 4.1Å; L88-K338 WeakPolarHBondContact O-CD 3.31Å; L88-K338 PolarHBondContact O-NZ 3.45Å; K338-Y372 CarbonylContact C-O 3.49Å; K338-Y372 WeakPolarHBondContact CA-O 3.39Å; K338-Y372 WeakPolarHBondContact CB-O 3.2Å; K338-W373 HydrophobicContact CB-CB 4.43Å; K338-W373 VanDerWaalsContact CB-CD1 3.47Å; K338-W373 HydrophobicContact CB-CG 4.02Å; K338-E406 IonicContact NZ-OE2 2.76Å; K338-E406 PolarHBondContact NZ-OE2 3.22Å; K338-A407 HydrophobicContact CB-CB 4.21Å; K338-A407 HydrophobicContact CD-CB 4.08Å; K338-A407 HydrophobicContact CG-CB 3.95Å; K338-L408 PolarHBondContact N-O 3.38Å; K338-R409 CarbonylContact O-C 3.54Å; K338-R409 WeakPolarHBondContact O-CA 3.46Å; K338-L410 PolarHBondContact O-N 3.12Å |
| 339 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | -168.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | L88 E371 Y372 L410 D411 | L88-G339 VanDerWaalsContact CD2-O 3.28Å; L88-G339 WeakPolarHBondContact CD2-O 3.48Å; G339-E371 CarbonylContact O-C 3.52Å; G339-E371 WeakPolarHBondContact O-CA 3.46Å; G339-Y372 VanDerWaalsContact C-CE1 3.5Å; G339-Y372 PolarHBondContact N-O 2.85Å; G339-Y372 WeakPolarHBondContact O-CD1 3.2Å; G339-Y372 PolarHBondContact O-N 3.41Å; G339-L410 WeakPolarHBondContact CA-O 3.42Å; G339-D411 VanDerWaalsContact CA-OD1 3.3Å; G339-D411 WeakPolarHBondContact CA-OD1 3.48Å |
| 340 | L | 98.6 | Very high | 97.6 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.6 | -179.6 | -60.8 | 174.6 | 0 | 0 | 0 | 111.1 | L88 T342 G370 E371 D411 F412 | L88-L340 HydrophobicContact CD2-CD2 3.9Å; L88-L340 HydrophobicContact CD2-CG 4.26Å; L88-L340 HydrophobicContact CG-CD2 4.46Å; L340-T342 HydrophobicContact CB-CG2 4.07Å; L340-G370 CarbonylContact C-O 3.57Å; L340-G370 WeakPolarHBondContact CA-O 3.28Å; L340-E371 HydrophobicContact CD2-CB 4.35Å; L340-E371 HydrophobicContact CD2-CG 3.67Å; L340-D411 PolarHBondContact N-OD1 2.88Å; L340-D411 CarbonylContact O-C 3.56Å; L340-D411 WeakPolarHBondContact O-CA 3.42Å; L340-F412 PolarHBondContact O-N 2.79Å |
| 341 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.2 | 161.1 | -172.5 | 0 | 0 | 0 | 0 | 107.8 | I349 A352 V354 T366 G370 Y372 A385 F412 L414 | V341-I349 HydrophobicContact CG1-CB 4.38Å; V341-I349 HydrophobicContact CG1-CD1 4.34Å; V341-I349 PolarHBondContact O-N 3.47Å; V341-A352 HydrophobicContact CB-CB 4.14Å; V341-A352 HydrophobicContact CG1-CB 3.84Å; V341-A352 HydrophobicContact CG2-CB 4.39Å; V341-V354 HydrophobicContact CG2-CG2 3.78Å; V341-T366 HydrophobicContact CB-CG2 3.94Å; V341-T366 HydrophobicContact CG2-CG2 3.56Å; V341-G370 PolarHBondContact N-O 2.85Å; V341-Y372 HydrophobicContact CG2-CD1 4.29Å; V341-A385 HydrophobicContact CG1-CB 4.23Å; V341-A385 HydrophobicContact CG2-CB 4.02Å; V341-F412 WeakPolarHBondContact CA-O 3.43Å; V341-F412 HydrophobicContact CG1-CB 4.38Å; V341-F412 HydrophobicContact CG2-CB 4.34Å; V341-F412 HydrophobicContact CG2-CD2 4.4Å; V341-L414 HydrophobicContact CG1-CD1 3.71Å; V341-L414 HydrophobicContact CG1-CG 3.88Å |
| 342 | T | 98.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 33 Ų | 33 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 162.7 | -179.6 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | L340 F347 I349 F412 K413 L414 | L340-T342 HydrophobicContact CB-CG2 4.07Å; T342-F347 CarbonylContact C-O 3.36Å; T342-F347 WeakPolarHBondContact CA-O 3.49Å; T342-F347 VanDerWaalsContact CB-O 3.23Å; T342-F347 WeakPolarHBondContact CB-O 3.47Å; T342-I349 VanDerWaalsContact C-CD1 3.5Å; T342-F412 PolarHBondContact N-O 3.49Å; T342-K413 CarbonylContact O-C 3.52Å; T342-K413 WeakPolarHBondContact O-CA 3.49Å; T342-L414 PolarHBondContact O-N 3.04Å |
| 343 | D | 96.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 15% | 0.15 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 180 | 166.2 | 74.3 | 6.4 | 0 | 0 | 0 | 111.3 | S345 G346 F347 I349 Y390 L414 | D343-S345 PolarHBondContact O-N 2.86Å; D343-S345 VanDerWaalsContact OD1-CA 3.28Å; D343-S345 WeakPolarHBondContact OD1-CA 3.22Å; D343-S345 VanDerWaalsContact OD1-CB 3.29Å; D343-S345 WeakPolarHBondContact OD1-CB 3.43Å; D343-S345 PolarHBondContact OD1-N 3.28Å; D343-G346 PolarHBondContact O-N 2.99Å; D343-G346 VanDerWaalsContact O-N 3.12Å; D343-G346 PolarHBondContact OD1-N 3.28Å; D343-F347 PolarHBondContact N-O 2.95Å; D343-F347 PolarHBondContact OD1-N 3.31Å; D343-I349 HydrophobicContact CB-CD1 4.22Å; D343-I349 HydrophobicContact CB-CG1 4.32Å; D343-Y390 HydrophobicContact CB-CE1 3.8Å; D343-L414 WeakPolarHBondContact CA-O 3.4Å |
| 344 | A | 92.1 | Very high | 97.6 | Very high | 71 Ų | 71 | 33.9 Ų | 33.9 | 59% | 0.587 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G346 L414 | A344-G346 VanDerWaalsContact C-N 3.31Å; A344-L414 PolarHBondContact N-O 3.07Å |
| 345 | S | 93.8 | Very high | 97.7 | Very high | 98 Ų | 98 | 35.5 Ų | 35.5 | 69% | 0.685 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.6 | 178.2 | -53 | 0 | 0 | 0 | 0 | 112.7 | D343 | D343-S345 PolarHBondContact O-N 2.86Å; D343-S345 VanDerWaalsContact OD1-CA 3.28Å; D343-S345 WeakPolarHBondContact OD1-CA 3.22Å; D343-S345 VanDerWaalsContact OD1-CB 3.29Å; D343-S345 WeakPolarHBondContact OD1-CB 3.43Å; D343-S345 PolarHBondContact OD1-N 3.28Å |
| 346 | G | 94.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 88.6 | 9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D343 A344 | D343-G346 PolarHBondContact O-N 2.99Å; D343-G346 VanDerWaalsContact O-N 3.12Å; D343-G346 PolarHBondContact OD1-N 3.28Å; A344-G346 VanDerWaalsContact C-N 3.31Å |
| 347 | F | 96.6 | Very high | 97.6 | Very high | 143 Ų | 143 | 37.5 Ų | 37.5 | 63% | 0.627 | 24% | 0.235 | S | C | * | . | trans | -77.6 | 140.3 | 172.6 | -79.6 | -81 | 0 | 0 | 0 | 110.8 | T342 D343 | T342-F347 CarbonylContact C-O 3.36Å; T342-F347 WeakPolarHBondContact CA-O 3.49Å; T342-F347 VanDerWaalsContact CB-O 3.23Å; T342-F347 WeakPolarHBondContact CB-O 3.47Å; D343-F347 PolarHBondContact N-O 2.95Å; D343-F347 PolarHBondContact OD1-N 3.31Å | ||
| 348 | P | 97.8 | Very high | 97.6 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 140 | -179 | 27.7 | -34.5 | 0 | 0 | 0 | 112 | R369 | P348-R369 WeakPolarHBondContact CB-O 3.4Å |
| 349 | I | 98.5 | Very high | 97.6 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | trans | -101.1 | 109.8 | 172.9 | -57.1 | 173.2 | 0 | 0 | 0 | 108.1 | V341 T342 D343 A352 T366 G370 A387 Y390 L414 | V341-I349 HydrophobicContact CG1-CB 4.38Å; V341-I349 HydrophobicContact CG1-CD1 4.34Å; V341-I349 PolarHBondContact O-N 3.47Å; T342-I349 VanDerWaalsContact C-CD1 3.5Å; D343-I349 HydrophobicContact CB-CD1 4.22Å; D343-I349 HydrophobicContact CB-CG1 4.32Å; I349-A352 HydrophobicContact CB-CB 4.43Å; I349-A352 HydrophobicContact CG2-CB 4Å; I349-T366 PolarHBondContact O-OG1 3.47Å; I349-G370 WeakPolarHBondContact O-CA 3.23Å; I349-A387 HydrophobicContact CG2-CB 3.81Å; I349-Y390 HydrophobicContact CD1-CD1 3.76Å; I349-Y390 HydrophobicContact CD1-CD2 4.1Å; I349-Y390 HydrophobicContact CD1-CE1 3.52Å; I349-Y390 HydrophobicContact CD1-CE2 3.88Å; I349-Y390 HydrophobicContact CD1-CG 4.05Å; I349-Y390 HydrophobicContact CG1-CE1 4.35Å; I349-Y390 HydrophobicContact CG1-CE2 4.29Å; I349-Y390 HydrophobicContact CG2-CE2 4.2Å; I349-L414 HydrophobicContact CD1-CB 3.94Å; I349-L414 HydrophobicContact CD1-CD1 4.06Å; I349-L414 HydrophobicContact CD1-CG 4.19Å | ||
| 350 | A | 98.2 | Very high | 97.5 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 150.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A352 S367 | A350-A352 PolarHBondContact O-N 2.94Å; A350-A352 VanDerWaalsContact O-N 3.1Å; A350-S367 WeakPolarHBondContact CA-O 3.44Å |
| 351 | D | 98.2 | Very high | 97.5 | Very high | 91 Ų | 91 | 53 Ų | 53 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 22 | 177.4 | -54.2 | -49.3 | 0 | 0 | 0 | 115.2 | R365 T366 | D351-R365 HydrophobicContact CB-CG 4.19Å; D351-R365 IonicContact OD1-CZ 2.95Å; D351-R365 IonicContact OD1-NE 3.51Å; D351-R365 PolarHBondContact OD1-NE 3.42Å; D351-R365 IonicContact OD1-NH2 2.66Å; D351-R365 PolarHBondContact OD1-NH2 2.84Å; D351-T366 PolarHBondContact N-O 2.93Å; D351-T366 PolarHBondContact N-OG1 3Å |
| 352 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -69.7 | 149.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V341 I349 A350 R365 T366 S386 A387 | V341-A352 HydrophobicContact CB-CB 4.14Å; V341-A352 HydrophobicContact CG1-CB 3.84Å; V341-A352 HydrophobicContact CG2-CB 4.39Å; I349-A352 HydrophobicContact CB-CB 4.43Å; I349-A352 HydrophobicContact CG2-CB 4Å; A350-A352 PolarHBondContact O-N 2.94Å; A350-A352 VanDerWaalsContact O-N 3.1Å; A352-R365 CarbonylContact O-C 3.52Å; A352-R365 WeakPolarHBondContact O-CA 3.38Å; A352-T366 HydrophobicContact CB-CG2 3.95Å; A352-T366 PolarHBondContact N-OG1 3.33Å; A352-T366 PolarHBondContact O-N 3.46Å; A352-S386 CarbonylContact C-O 3.57Å; A352-S386 WeakPolarHBondContact CA-O 3.39Å; A352-A387 HydrophobicContact CB-CB 3.84Å | ||
| 353 | N | 98.9 | Very high | 97.5 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131.2 | 177.4 | -70.8 | -47 | 0 | 0 | 0 | 110.6 | Y355 P363 M364 A385 S386 | N353-Y355 HydrophobicContact CB-CD2 4.19Å; N353-Y355 HydrophobicContact CB-CE2 3.31Å; N353-Y355 WeakPolarHBondContact CB-OH 3.43Å; N353-Y355 PolarHBondContact ND2-OH 3.47Å; N353-P363 HydrophobicContact CB-CB 4.12Å; N353-M364 CarbonylContact C-O 3.52Å; N353-M364 WeakPolarHBondContact CA-O 3.45Å; N353-A385 CarbonylContact O-C 3.55Å; N353-A385 VanDerWaalsContact O-CA 3.24Å; N353-A385 WeakPolarHBondContact O-CA 3.38Å; N353-S386 PolarHBondContact N-O 2.98Å; N353-S386 PolarHBondContact O-N 3.15Å |
| 354 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.2 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | V341 P363 M364 T366 Y372 V383 A385 F412 | V341-V354 HydrophobicContact CG2-CG2 3.78Å; V354-P363 WeakPolarHBondContact O-CA 3.36Å; V354-M364 HydrophobicContact CB-CB 4.5Å; V354-M364 PolarHBondContact N-O 2.78Å; V354-M364 PolarHBondContact O-N 2.92Å; V354-T366 HydrophobicContact CG2-CG2 4.47Å; V354-Y372 HydrophobicContact CB-CD2 4.13Å; V354-Y372 HydrophobicContact CB-CE2 4.35Å; V354-Y372 HydrophobicContact CB-CG 4.32Å; V354-Y372 HydrophobicContact CG1-CD2 4.07Å; V354-Y372 HydrophobicContact CG1-CE2 3.79Å; V354-Y372 HydrophobicContact CG2-CD1 3.78Å; V354-Y372 HydrophobicContact CG2-CD2 4.03Å; V354-Y372 HydrophobicContact CG2-CE1 4.11Å; V354-Y372 HydrophobicContact CG2-CE2 4.35Å; V354-Y372 HydrophobicContact CG2-CG 3.73Å; V354-V383 HydrophobicContact CG1-CG1 3.6Å; V354-A385 HydrophobicContact CG2-CB 4.22Å; V354-F412 HydrophobicContact CG1-CE2 4.14Å |
| 355 | Y | 98.9 | Very high | 97.9 | Very high | 48 Ų | 48 | 56.7 Ų | 56.7 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 142.7 | -175.9 | -61.3 | -90.6 | 0 | 0 | 0 | 110.8 | N353 E360 P363 V383 H384 S386 | N353-Y355 HydrophobicContact CB-CD2 4.19Å; N353-Y355 HydrophobicContact CB-CE2 3.31Å; N353-Y355 WeakPolarHBondContact CB-OH 3.43Å; N353-Y355 PolarHBondContact ND2-OH 3.47Å; Y355-E360 HydrophobicContact CD1-CB 4.19Å; Y355-E360 HydrophobicContact CD1-CG 4.48Å; Y355-P363 HydrophobicContact CD1-CB 3.77Å; Y355-P363 HydrophobicContact CD1-CG 4.49Å; Y355-P363 HydrophobicContact CE1-CB 3.54Å; Y355-P363 HydrophobicContact CE1-CG 3.91Å; Y355-P363 HydrophobicContact CG-CB 4.39Å; Y355-V383 VanDerWaalsContact O-CA 3.29Å; Y355-V383 WeakPolarHBondContact O-CA 3.24Å; Y355-V383 VanDerWaalsContact O-CG1 3.29Å; Y355-V383 WeakPolarHBondContact O-CG1 3.44Å; Y355-H384 VanDerWaalsContact CB-CE1 3.44Å; Y355-H384 WeakPolarHBondContact CB-CE1 3.35Å; Y355-H384 AromaticContact CD2-NE2 3.63Å; Y355-H384 AromaticContact CG-NE2 3.85Å; Y355-H384 PolarHBondContact N-O 3.21Å; Y355-H384 PolarHBondContact O-N 3.12Å; Y355-S386 WeakPolarHBondContact CE2-OG 2.94Å |
| 356 | V | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.2 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | G358 L359 E360 R374 L376 Y381 V383 | V356-G358 PolarHBondContact O-N 3.25Å; V356-L359 HydrophobicContact CB-CB 4.24Å; V356-L359 HydrophobicContact CB-CD1 4.45Å; V356-L359 HydrophobicContact CG1-CD1 4.16Å; V356-L359 CarbonylContact O-C 3.59Å; V356-L359 WeakPolarHBondContact O-CA 3.24Å; V356-L359 PolarHBondContact O-N 3.2Å; V356-E360 PolarHBondContact O-N 3.12Å; V356-R374 HydrophobicContact CG2-CG 3.82Å; V356-L376 HydrophobicContact CG1-CD2 4.32Å; V356-L376 HydrophobicContact CG2-CD1 4.32Å; V356-L376 HydrophobicContact CG2-CD2 4.37Å; V356-Y381 HydrophobicContact CG1-CD1 3.47Å; V356-Y381 VanDerWaalsContact CG1-CD1 3.47Å; V356-Y381 HydrophobicContact CG1-CE1 4.29Å; V356-Y381 HydrophobicContact CG1-CG 4.1Å; V356-V383 HydrophobicContact CG2-CG1 4.28Å; V356-V383 HydrophobicContact CG2-CG2 4.17Å |
| 357 | A | 98.3 | Very high | 98.3 | Very high | 51 Ų | 51 | 51 Ų | 51 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 129 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | L359 E360 S382 | A357-L359 VanDerWaalsContact C-N 3.3Å; A357-E360 VanDerWaalsContact CA-OE1 3.28Å; A357-E360 WeakPolarHBondContact CA-OE1 3.44Å; A357-S382 WeakPolarHBondContact CB-O 3.4Å; A357-S382 PolarHBondContact N-O 2.74Å |
| 358 | G | 97.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 53.4 Ų | 53.4 | 68% | 0.68 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -0.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V356 E360 | V356-G358 PolarHBondContact O-N 3.25Å; G358-E360 VanDerWaalsContact C-OE2 3.31Å; G358-E360 WeakPolarHBondContact CA-OE2 3.43Å; G358-E360 PolarHBondContact N-OE1 3.41Å; G358-E360 VanDerWaalsContact N-OE1 3.13Å; G358-E360 PolarHBondContact N-OE2 3.32Å |
| 359 | L | 98.4 | Very high | 98.3 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | trans | -133.1 | 25.7 | 176.9 | -59.5 | 172.8 | 0 | 0 | 0 | 111 | P241 V356 A357 E361 K362 L376 | P241-L359 HydrophobicContact CB-CD2 4.43Å; P241-L359 WeakPolarHBondContact O-CD2 3.45Å; V356-L359 HydrophobicContact CB-CB 4.24Å; V356-L359 HydrophobicContact CB-CD1 4.45Å; V356-L359 HydrophobicContact CG1-CD1 4.16Å; V356-L359 CarbonylContact O-C 3.59Å; V356-L359 WeakPolarHBondContact O-CA 3.24Å; V356-L359 PolarHBondContact O-N 3.2Å; A357-L359 VanDerWaalsContact C-N 3.3Å; L359-E361 PolarHBondContact O-N 3.49Å; L359-K362 PolarHBondContact O-N 2.68Å; L359-K362 VanDerWaalsContact O-N 3.09Å; L359-L376 HydrophobicContact CD1-CD2 3.84Å | ||
| 360 | E | 98.1 | Very high | 98.3 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.9 | -173.4 | -63.9 | 89.1 | 161.1 | 0 | 0 | 113.3 | Y355 V356 A357 G358 K362 P363 | Y355-E360 HydrophobicContact CD1-CB 4.19Å; Y355-E360 HydrophobicContact CD1-CG 4.48Å; V356-E360 PolarHBondContact O-N 3.12Å; A357-E360 VanDerWaalsContact CA-OE1 3.28Å; A357-E360 WeakPolarHBondContact CA-OE1 3.44Å; G358-E360 VanDerWaalsContact C-OE2 3.31Å; G358-E360 WeakPolarHBondContact CA-OE2 3.43Å; G358-E360 PolarHBondContact N-OE1 3.41Å; G358-E360 VanDerWaalsContact N-OE1 3.13Å; G358-E360 PolarHBondContact N-OE2 3.32Å; E360-K362 PolarHBondContact O-N 2.86Å; E360-P363 WeakPolarHBondContact O-CD 3.31Å |
| 361 | E | 97.2 | Very high | 98.3 | Very high | 173 Ų | 173 | 51.8 Ų | 51.8 | 81% | 0.808 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.3 | 175 | -65.2 | -176.9 | -167.6 | 0 | 0 | 112.9 | P241 L359 P363 | P241-E361 HydrophobicContact CG-CB 4.04Å; L359-E361 PolarHBondContact O-N 3.49Å; E361-P363 WeakPolarHBondContact O-CD 3.24Å |
| 362 | K | 98.4 | Very high | 98.4 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -122.4 | 73.4 | 176.2 | -172.1 | 64.8 | -174.1 | 156.3 | 0 | 111.7 | D242 Y292 S295 L359 E360 M364 R374 | D242-K362 WeakPolarHBondContact OD2-CG 3.32Å; Y292-K362 HydrophobicContact CD2-CD 4.29Å; Y292-K362 HydrophobicContact CE1-CD 4.17Å; Y292-K362 HydrophobicContact CE2-CD 3.75Å; Y292-K362 HydrophobicContact CE2-CG 3.71Å; Y292-K362 VanDerWaalsContact O-CE 3.22Å; Y292-K362 WeakPolarHBondContact O-CE 3.48Å; Y292-K362 PolarHBondContact O-NZ 2.97Å; Y292-K362 WeakPolarHBondContact OH-CG 3.19Å; S295-K362 PolarHBondContact O-NZ 3.33Å; L359-K362 PolarHBondContact O-N 2.68Å; L359-K362 VanDerWaalsContact O-N 3.09Å; E360-K362 PolarHBondContact O-N 2.86Å; K362-M364 HydrophobicContact CD-CE 4.34Å; K362-M364 HydrophobicContact CG-CE 3.93Å; K362-R374 PolarHBondContact O-NH1 2.82Å; K362-R374 VanDerWaalsContact O-NH1 3.11Å |
| 363 | P | 98.4 | Very high | 98.4 | Very high | 33 Ų | 33 | 48 Ų | 48 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 153.3 | 172.6 | 29.8 | -32.2 | 0 | 0 | 0 | 111.4 | N353 V354 Y355 E360 E361 | N353-P363 HydrophobicContact CB-CB 4.12Å; V354-P363 WeakPolarHBondContact O-CA 3.36Å; Y355-P363 HydrophobicContact CD1-CB 3.77Å; Y355-P363 HydrophobicContact CD1-CG 4.49Å; Y355-P363 HydrophobicContact CE1-CB 3.54Å; Y355-P363 HydrophobicContact CE1-CG 3.91Å; Y355-P363 HydrophobicContact CG-CB 4.39Å; E360-P363 WeakPolarHBondContact O-CD 3.31Å; E361-P363 WeakPolarHBondContact O-CD 3.24Å |
| 364 | M | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.8 | 168.1 | -58.1 | -67.1 | 82.6 | 0 | 0 | 110 | N296 F298 N353 V354 K362 W373 R374 | N296-M364 HydrophobicContact CB-CE 4.49Å; N296-M364 HydrophobicContact CB-SD 4.15Å; F298-M364 HydrophobicContact CE1-CE 4.26Å; F298-M364 HydrophobicContact CE1-SD 4.49Å; N353-M364 CarbonylContact C-O 3.52Å; N353-M364 WeakPolarHBondContact CA-O 3.45Å; V354-M364 HydrophobicContact CB-CB 4.5Å; V354-M364 PolarHBondContact N-O 2.78Å; V354-M364 PolarHBondContact O-N 2.92Å; K362-M364 HydrophobicContact CD-CE 4.34Å; K362-M364 HydrophobicContact CG-CE 3.93Å; M364-W373 WeakPolarHBondContact CG-O 3.4Å; M364-W373 VanDerWaalsContact SD-O 3.32Å; M364-R374 VanDerWaalsContact CE-NH1 3.33Å; M364-R374 HydrophobicContact CG-CB 3.82Å; M364-R374 HydrophobicContact CG-CG 4.14Å |
| 365 | R | 98.6 | Very high | 98.4 | Very high | 137 Ų | 137 | 46 Ų | 46 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 127.4 | 176 | -165.2 | 178 | 105.7 | -157 | 9.2 | 110.6 | N296 D351 A352 | N296-R365 PolarHBondContact ND2-N 3.42Å; N296-R365 PolarHBondContact ND2-O 3.38Å; N296-R365 PolarHBondContact OD1-N 3.37Å; D351-R365 HydrophobicContact CB-CG 4.19Å; D351-R365 IonicContact OD1-CZ 2.95Å; D351-R365 IonicContact OD1-NE 3.51Å; D351-R365 PolarHBondContact OD1-NE 3.42Å; D351-R365 IonicContact OD1-NH2 2.66Å; D351-R365 PolarHBondContact OD1-NH2 2.84Å; A352-R365 CarbonylContact O-C 3.52Å; A352-R365 WeakPolarHBondContact O-CA 3.38Å |
| 366 | T | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 148.6 | -177.3 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | V341 I349 D351 A352 V354 E371 | V341-T366 HydrophobicContact CB-CG2 3.94Å; V341-T366 HydrophobicContact CG2-CG2 3.56Å; I349-T366 PolarHBondContact O-OG1 3.47Å; D351-T366 PolarHBondContact N-O 2.93Å; D351-T366 PolarHBondContact N-OG1 3Å; A352-T366 HydrophobicContact CB-CG2 3.95Å; A352-T366 PolarHBondContact N-OG1 3.33Å; A352-T366 PolarHBondContact O-N 3.46Å; V354-T366 HydrophobicContact CG2-CG2 4.47Å; T366-E371 CarbonylContact C-O 3.52Å; T366-E371 WeakPolarHBondContact CA-O 3.23Å |
| 367 | S | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 173.3 | 172.8 | 86.2 | 0 | 0 | 0 | 0 | 111.4 | A350 R369 G370 E371 | A350-S367 WeakPolarHBondContact CA-O 3.44Å; S367-R369 PolarHBondContact O-N 3.32Å; S367-R369 VanDerWaalsContact O-N 3.08Å; S367-R369 PolarHBondContact OG-N 3.12Å; S367-G370 PolarHBondContact O-N 2.9Å; S367-E371 PolarHBondContact N-O 2.88Å; S367-E371 WeakPolarHBondContact OG-CB 3.33Å; S367-E371 PolarHBondContact OG-N 2.84Å; S367-E371 PolarHBondContact OG-OE2 2.89Å |
| 368 | K | 97.1 | Very high | 98.4 | Very high | 193 Ų | 193 | 44.8 Ų | 44.8 | 84% | 0.839 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.3 | 170.7 | -66 | -177.9 | -178.6 | 176.1 | 0 | 113.4 | G370 | K368-G370 VanDerWaalsContact C-N 3.34Š|
| 369 | R | 96.9 | Very high | 98.4 | Very high | 83 Ų | 83 | 42.8 Ų | 42.8 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 13.1 | 176.5 | -49.4 | -175.2 | -66 | -171.8 | 5.4 | 112.2 | D86 L87 P348 S367 E371 | D86-R369 PolarHBondContact O-NH1 3.21Å; D86-R369 PolarHBondContact O-NH2 3.39Å; D86-R369 IonicContact OD2-CZ 3.96Å; D86-R369 IonicContact OD2-NH1 3.81Å; D86-R369 PolarHBondContact OD2-NH1 3.02Å; D86-R369 IonicContact OD2-NH2 3.25Å; L87-R369 HydrophobicContact CD2-CB 3.89Å; L87-R369 HydrophobicContact CD2-CG 4.38Å; P348-R369 WeakPolarHBondContact CB-O 3.4Å; S367-R369 PolarHBondContact O-N 3.32Å; S367-R369 VanDerWaalsContact O-N 3.08Å; S367-R369 PolarHBondContact OG-N 3.12Å; R369-E371 HydrophobicContact CB-CG 4Å; R369-E371 WeakPolarHBondContact CB-OE2 3.2Å; R369-E371 IonicContact CZ-OE1 2.75Å; R369-E371 IonicContact CZ-OE2 2.74Å; R369-E371 VanDerWaalsContact NE-CD 3.31Å; R369-E371 IonicContact NE-OE1 3.49Å; R369-E371 PolarHBondContact NE-OE1 3.08Å; R369-E371 IonicContact NE-OE2 3.59Å; R369-E371 PolarHBondContact NE-OE2 3.01Å; R369-E371 VanDerWaalsContact NH2-CD 3.32Å; R369-E371 IonicContact NH2-OE1 2.85Å; R369-E371 PolarHBondContact NH2-OE1 3.28Å; R369-E371 IonicContact NH2-OE2 2.71Å; R369-E371 PolarHBondContact NH2-OE2 2.8Å; R369-E371 VanDerWaalsContact NH2-OE2 3.14Å; R369-E371 PolarHBondContact O-N 2.89Å |
| 370 | G | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 72.4 | 12.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L340 V341 I349 S367 K368 | L340-G370 CarbonylContact C-O 3.57Å; L340-G370 WeakPolarHBondContact CA-O 3.28Å; V341-G370 PolarHBondContact N-O 2.85Å; I349-G370 WeakPolarHBondContact O-CA 3.23Å; S367-G370 PolarHBondContact O-N 2.9Å; K368-G370 VanDerWaalsContact C-N 3.34Å |
| 371 | E | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 145.3 | -175 | -55.3 | 159.3 | 111.2 | 0 | 0 | 111.3 | L87 L88 G339 L340 T366 S367 R369 W373 | L87-E371 WeakPolarHBondContact CA-OE1 3.18Å; L87-E371 HydrophobicContact CD2-CG 4.26Å; L88-E371 HydrophobicContact CD2-CB 4.02Å; L88-E371 HydrophobicContact CD2-CG 3.99Å; L88-E371 PolarHBondContact N-OE1 3.16Å; G339-E371 CarbonylContact O-C 3.52Å; G339-E371 WeakPolarHBondContact O-CA 3.46Å; L340-E371 HydrophobicContact CD2-CB 4.35Å; L340-E371 HydrophobicContact CD2-CG 3.67Å; T366-E371 CarbonylContact C-O 3.52Å; T366-E371 WeakPolarHBondContact CA-O 3.23Å; S367-E371 PolarHBondContact N-O 2.88Å; S367-E371 WeakPolarHBondContact OG-CB 3.33Å; S367-E371 PolarHBondContact OG-N 2.84Å; S367-E371 PolarHBondContact OG-OE2 2.89Å; R369-E371 HydrophobicContact CB-CG 4Å; R369-E371 WeakPolarHBondContact CB-OE2 3.2Å; R369-E371 IonicContact CZ-OE1 2.75Å; R369-E371 IonicContact CZ-OE2 2.74Å; R369-E371 VanDerWaalsContact NE-CD 3.31Å; R369-E371 IonicContact NE-OE1 3.49Å; R369-E371 PolarHBondContact NE-OE1 3.08Å; R369-E371 IonicContact NE-OE2 3.59Å; R369-E371 PolarHBondContact NE-OE2 3.01Å; R369-E371 VanDerWaalsContact NH2-CD 3.32Å; R369-E371 IonicContact NH2-OE1 2.85Å; R369-E371 PolarHBondContact NH2-OE1 3.28Å; R369-E371 IonicContact NH2-OE2 2.71Å; R369-E371 PolarHBondContact NH2-OE2 2.8Å; R369-E371 VanDerWaalsContact NH2-OE2 3.14Å; R369-E371 PolarHBondContact O-N 2.89Å; E371-W373 HydrophobicContact CB-CH2 3.51Å; E371-W373 HydrophobicContact CB-CZ2 4.16Å; E371-W373 HydrophobicContact CB-CZ3 3.72Å; E371-W373 HydrophobicContact CG-CH2 4.2Å |
| 372 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 156.4 | 166.8 | 77.6 | -82.6 | 0 | 0 | 0 | 110.9 | I337 K338 G339 V341 V354 R374 L410 F412 | I337-Y372 HydrophobicContact CD1-CE2 4.01Å; I337-Y372 HydrophobicContact CG1-CE2 4.01Å; K338-Y372 CarbonylContact C-O 3.49Å; K338-Y372 WeakPolarHBondContact CA-O 3.39Å; K338-Y372 WeakPolarHBondContact CB-O 3.2Å; G339-Y372 VanDerWaalsContact C-CE1 3.5Å; G339-Y372 PolarHBondContact N-O 2.85Å; G339-Y372 WeakPolarHBondContact O-CD1 3.2Å; G339-Y372 PolarHBondContact O-N 3.41Å; V341-Y372 HydrophobicContact CG2-CD1 4.29Å; V354-Y372 HydrophobicContact CB-CD2 4.13Å; V354-Y372 HydrophobicContact CB-CE2 4.35Å; V354-Y372 HydrophobicContact CB-CG 4.32Å; V354-Y372 HydrophobicContact CG1-CD2 4.07Å; V354-Y372 HydrophobicContact CG1-CE2 3.79Å; V354-Y372 HydrophobicContact CG2-CD1 3.78Å; V354-Y372 HydrophobicContact CG2-CD2 4.03Å; V354-Y372 HydrophobicContact CG2-CE1 4.11Å; V354-Y372 HydrophobicContact CG2-CE2 4.35Å; V354-Y372 HydrophobicContact CG2-CG 3.73Å; Y372-R374 HydrophobicContact CD2-CB 4.35Å; Y372-R374 HydrophobicContact CE2-CB 4.37Å; Y372-L410 WeakPolarHBondContact CE1-O 3.39Å; Y372-L410 PolarHBondContact OH-O 3.09Å; Y372-F412 HydrophobicContact CE1-CD2 4.22Å; Y372-F412 HydrophobicContact CE1-CE2 4.25Å; Y372-F412 WeakPolarHBondContact OH-CE2 3.29Å |
| 373 | W | 98.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.1 | 170.1 | -57.8 | -102.5 | 0 | 0 | 0 | 107 | L88 R89 P90 P207 V209 K338 M364 E371 | L88-W373 PolarHBondContact O-NE1 2.89Å; R89-W373 WeakPolarHBondContact O-CZ2 3.46Å; P90-W373 HydrophobicContact CB-CG 4.46Å; P207-W373 HydrophobicContact CB-CZ3 4.13Å; P207-W373 HydrophobicContact CG-CZ3 4.4Å; V209-W373 HydrophobicContact CB-CB 4.47Å; V209-W373 HydrophobicContact CG1-CB 3.88Å; V209-W373 HydrophobicContact CG2-CB 3.7Å; V209-W373 HydrophobicContact CG2-CD2 3.76Å; V209-W373 HydrophobicContact CG2-CE3 3.86Å; V209-W373 HydrophobicContact CG2-CG 3.7Å; K338-W373 HydrophobicContact CB-CB 4.43Å; K338-W373 VanDerWaalsContact CB-CD1 3.47Å; K338-W373 HydrophobicContact CB-CG 4.02Å; M364-W373 WeakPolarHBondContact CG-O 3.4Å; M364-W373 VanDerWaalsContact SD-O 3.32Å; E371-W373 HydrophobicContact CB-CH2 3.51Å; E371-W373 HydrophobicContact CB-CZ2 4.16Å; E371-W373 HydrophobicContact CB-CZ3 3.72Å; E371-W373 HydrophobicContact CG-CH2 4.2Å |
| 374 | R | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 102.9 | 179 | -179.8 | 50.5 | 173.5 | -179.2 | 7.7 | 108.5 | D242 I337 V356 K362 M364 Y372 L376 | D242-R374 IonicContact OD1-CZ 3.38Å; D242-R374 IonicContact OD1-NH1 3.81Å; D242-R374 IonicContact OD1-NH2 3.68Å; D242-R374 PolarHBondContact OD1-NH2 2.85Å; D242-R374 IonicContact OD2-CZ 3.64Å; D242-R374 VanDerWaalsContact OD2-CZ 3.28Å; D242-R374 IonicContact OD2-NH1 3.53Å; D242-R374 PolarHBondContact OD2-NH1 3.22Å; D242-R374 IonicContact OD2-NH2 3.16Å; D242-R374 PolarHBondContact OD2-NH2 3.1Å; I337-R374 HydrophobicContact CD1-CB 4.31Å; I337-R374 HydrophobicContact CG1-CB 3.77Å; I337-R374 HydrophobicContact CG1-CG 4.44Å; I337-R374 PolarHBondContact N-O 3.07Å; I337-R374 PolarHBondContact O-N 3.07Å; V356-R374 HydrophobicContact CG2-CG 3.82Å; K362-R374 PolarHBondContact O-NH1 2.82Å; K362-R374 VanDerWaalsContact O-NH1 3.11Å; M364-R374 VanDerWaalsContact CE-NH1 3.33Å; M364-R374 HydrophobicContact CG-CB 3.82Å; M364-R374 HydrophobicContact CG-CG 4.14Å; Y372-R374 HydrophobicContact CD2-CB 4.35Å; Y372-R374 HydrophobicContact CE2-CB 4.37Å; R374-L376 HydrophobicContact CG-CD1 4.21Å; R374-L376 HydrophobicContact CG-CD2 4.16Å; R374-L376 HydrophobicContact CG-CG 4Å; R374-L376 PolarHBondContact O-N 3.34Å |
| 375 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | trans | -64.1 | 127.9 | 175.5 | -54.7 | -175 | 0 | 0 | 0 | 109.1 | V209 L210 V245 L249 F298 I335 | V209-L375 HydrophobicContact CG1-CD1 4.36Å; V209-L375 HydrophobicContact CG1-CD2 3.77Å; V209-L375 HydrophobicContact CG1-CG 4.08Å; L210-L375 HydrophobicContact CD1-CD1 4.35Å; V245-L375 HydrophobicContact CG1-CB 3.89Å; L249-L375 HydrophobicContact CD1-CD1 4.45Å; F298-L375 HydrophobicContact CB-CD1 4.16Å; F298-L375 HydrophobicContact CD2-CD1 4.15Å; F298-L375 HydrophobicContact CE2-CB 4.46Å; F298-L375 HydrophobicContact CG-CD1 4.11Å; I335-L375 HydrophobicContact CD1-CB 4.37Å; I335-L375 HydrophobicContact CG1-CB 4.06Å; I335-L375 HydrophobicContact CG1-CD2 3.95Å | ||
| 376 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -142 | 142.2 | -179.6 | -65.7 | 169.2 | 0 | 0 | 0 | 109.6 | I337 V356 L359 R374 Y381 V400 N402 | I337-L376 HydrophobicContact CD1-CD1 4.24Å; I337-L376 HydrophobicContact CG1-CD1 4.15Å; I337-L376 HydrophobicContact CG2-CD1 4.43Å; V356-L376 HydrophobicContact CG1-CD2 4.32Å; V356-L376 HydrophobicContact CG2-CD1 4.32Å; V356-L376 HydrophobicContact CG2-CD2 4.37Å; L359-L376 HydrophobicContact CD1-CD2 3.84Å; R374-L376 HydrophobicContact CG-CD1 4.21Å; R374-L376 HydrophobicContact CG-CD2 4.16Å; R374-L376 HydrophobicContact CG-CG 4Å; R374-L376 PolarHBondContact O-N 3.34Å; L376-Y381 HydrophobicContact CB-CE2 4.11Å; L376-Y381 HydrophobicContact CD1-CD1 4.47Å; L376-Y381 HydrophobicContact CD1-CD2 4.03Å; L376-Y381 HydrophobicContact CD1-CE2 4.25Å; L376-Y381 HydrophobicContact CD1-CG 4.14Å; L376-Y381 HydrophobicContact CD2-CD1 4.4Å; L376-Y381 HydrophobicContact CD2-CE1 4.06Å; L376-V400 HydrophobicContact CB-CG1 4.4Å; L376-V400 HydrophobicContact CB-CG2 4.33Å; L376-V400 HydrophobicContact CD1-CG2 4.11Å; L376-N402 PolarHBondContact O-ND2 3.1Å | ||
| 377 | T | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | trans | -68.6 | 164.5 | 166.6 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | R244 V245 Q248 G379 Y381 | R244-T377 HydrophobicContact CB-CG2 3.92Å; R244-T377 PolarHBondContact NE-OG1 3.08Å; R244-T377 PolarHBondContact NH2-OG1 3.31Å; R244-T377 WeakPolarHBondContact O-CG2 3.42Å; V245-T377 HydrophobicContact CG2-CG2 3.96Å; Q248-T377 HydrophobicContact CB-CG2 4.44Å; T377-G379 PolarHBondContact O-N 3.02Å; T377-Y381 WeakPolarHBondContact O-CE2 3.34Å; T377-Y381 PolarHBondContact O-OH 3.04Å; T377-Y381 PolarHBondContact OG1-OH 3.49Å | ||
| 378 | P | 98.8 | Very high | 98.4 | Very high | 67 Ų | 67 | 40.2 Ų | 40.2 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -57.7 | 135.3 | 174.6 | -26 | 36.4 | 0 | 0 | 0 | 112.2 | V400 | P378-V400 CarbonylContact C-O 3.48Å; P378-V400 VanDerWaalsContact CA-O 3.26Å; P378-V400 WeakPolarHBondContact CA-O 3.26Å |
| 379 | G | 98.4 | Very high | 98.4 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 25% | 0.247 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | 175.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T377 R399 V400 | T377-G379 PolarHBondContact O-N 3.02Å; G379-R399 CarbonylContact O-C 3.57Å; G379-R399 WeakPolarHBondContact O-CA 3.47Å; G379-V400 PolarHBondContact N-O 2.86Å; G379-V400 PolarHBondContact O-N 2.92Å |
| 380 | L | 98.6 | Very high | 98.4 | Very high | 99 Ų | 99 | 32 Ų | 32 | 52% | 0.518 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.2 | 170.5 | 179 | 66.5 | 0 | 0 | 0 | 108.5 | R399 | L380-R399 HydrophobicContact CD1-CB 4.22Å |
| 381 | Y | 98.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145 | -173.3 | -62.6 | -84.3 | 0 | 0 | 0 | 111.1 | V356 L376 T377 Q397 V398 V400 | V356-Y381 HydrophobicContact CG1-CD1 3.47Å; V356-Y381 VanDerWaalsContact CG1-CD1 3.47Å; V356-Y381 HydrophobicContact CG1-CE1 4.29Å; V356-Y381 HydrophobicContact CG1-CG 4.1Å; L376-Y381 HydrophobicContact CB-CE2 4.11Å; L376-Y381 HydrophobicContact CD1-CD1 4.47Å; L376-Y381 HydrophobicContact CD1-CD2 4.03Å; L376-Y381 HydrophobicContact CD1-CE2 4.25Å; L376-Y381 HydrophobicContact CD1-CG 4.14Å; L376-Y381 HydrophobicContact CD2-CD1 4.4Å; L376-Y381 HydrophobicContact CD2-CE1 4.06Å; T377-Y381 WeakPolarHBondContact O-CE2 3.34Å; T377-Y381 PolarHBondContact O-OH 3.04Å; T377-Y381 PolarHBondContact OG1-OH 3.49Å; Y381-Q397 CarbonylContact O-C 3.58Å; Y381-Q397 WeakPolarHBondContact O-CA 3.44Å; Y381-Q397 PolarHBondContact O-OE1 2.92Å; Y381-V398 PolarHBondContact N-O 3.41Å; Y381-V398 PolarHBondContact O-N 2.69Å; Y381-V400 HydrophobicContact CD2-CB 4.23Å; Y381-V400 HydrophobicContact CD2-CG2 3.81Å; Y381-V400 HydrophobicContact CE2-CB 4.07Å; Y381-V400 HydrophobicContact CE2-CG2 4.04Å |
| 382 | S | 98.7 | Very high | 98.3 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.1 | 167.4 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | A357 P395 | A357-S382 WeakPolarHBondContact CB-O 3.4Å; A357-S382 PolarHBondContact N-O 2.74Å; S382-P395 WeakPolarHBondContact OG-CB 3.36Å |
| 383 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137 | -170.5 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | I337 V354 Y355 V356 P395 Q396 V398 L410 F412 | I337-V383 HydrophobicContact CD1-CB 4.46Å; I337-V383 HydrophobicContact CD1-CG1 3.9Å; I337-V383 HydrophobicContact CD1-CG2 3.93Å; V354-V383 HydrophobicContact CG1-CG1 3.6Å; Y355-V383 VanDerWaalsContact O-CA 3.29Å; Y355-V383 WeakPolarHBondContact O-CA 3.24Å; Y355-V383 VanDerWaalsContact O-CG1 3.29Å; Y355-V383 WeakPolarHBondContact O-CG1 3.44Å; V356-V383 HydrophobicContact CG2-CG1 4.28Å; V356-V383 HydrophobicContact CG2-CG2 4.17Å; V383-P395 CarbonylContact O-C 3.57Å; V383-P395 WeakPolarHBondContact O-CA 3.33Å; V383-Q396 PolarHBondContact N-O 2.83Å; V383-Q396 PolarHBondContact O-N 2.83Å; V383-V398 HydrophobicContact CG2-CG1 3.72Å; V383-L410 HydrophobicContact CB-CD2 3.9Å; V383-L410 HydrophobicContact CG1-CD2 4.16Å; V383-L410 HydrophobicContact CG2-CD2 4.21Å; V383-F412 HydrophobicContact CB-CZ 4.09Å; V383-F412 HydrophobicContact CG1-CE2 4.19Å; V383-F412 HydrophobicContact CG1-CZ 3.74Å |
| 384 | H | 98.8 | Very high | 98.2 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 22% | 0.218 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 158.5 | 175.1 | 69.9 | -84.8 | 0 | 0 | 0 | 110.9 | Y355 P395 | Y355-H384 VanDerWaalsContact CB-CE1 3.44Å; Y355-H384 WeakPolarHBondContact CB-CE1 3.35Å; Y355-H384 AromaticContact CD2-NE2 3.63Å; Y355-H384 AromaticContact CG-NE2 3.85Å; Y355-H384 PolarHBondContact N-O 3.21Å; Y355-H384 PolarHBondContact O-N 3.12Å; H384-P395 HydrophobicContact CB-CB 4.4Å; H384-P395 HydrophobicContact CB-CG 4.42Å |
| 385 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V341 N353 V354 S393 F412 L414 | V341-A385 HydrophobicContact CG1-CB 4.23Å; V341-A385 HydrophobicContact CG2-CB 4.02Å; N353-A385 CarbonylContact O-C 3.55Å; N353-A385 VanDerWaalsContact O-CA 3.24Å; N353-A385 WeakPolarHBondContact O-CA 3.38Å; V354-A385 HydrophobicContact CG2-CB 4.22Å; A385-S393 PolarHBondContact N-OG 3.12Å; A385-S393 PolarHBondContact O-N 2.85Å; A385-S393 PolarHBondContact O-OG 3.33Å; A385-F412 HydrophobicContact CB-CB 3.76Å; A385-F412 HydrophobicContact CB-CD1 3.95Å; A385-F412 HydrophobicContact CB-CD2 3.88Å; A385-F412 HydrophobicContact CB-CE2 4.49Å; A385-F412 HydrophobicContact CB-CG 3.58Å; A385-L414 HydrophobicContact CB-CD2 4.31Å |
| 386 | S | 98.5 | Very high | 98.2 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.5 | 171.3 | 77.5 | 0 | 0 | 0 | 0 | 110.8 | A352 N353 Y355 | A352-S386 CarbonylContact C-O 3.57Å; A352-S386 WeakPolarHBondContact CA-O 3.39Å; N353-S386 PolarHBondContact N-O 2.98Å; N353-S386 PolarHBondContact O-N 3.15Å; Y355-S386 WeakPolarHBondContact CE2-OG 2.94Å |
| 387 | A | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 12% | 0.116 | 33% | 0.332 | C | S | . | . | trans | -149.5 | 147.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109 | I349 A352 G389 Y390 L414 | I349-A387 HydrophobicContact CG2-CB 3.81Å; A352-A387 HydrophobicContact CB-CB 3.84Å; A387-G389 PolarHBondContact O-N 2.71Å; A387-Y390 HydrophobicContact CB-CD2 3.88Å; A387-Y390 HydrophobicContact CB-CG 4.37Å; A387-Y390 PolarHBondContact O-N 3.42Å; A387-L414 HydrophobicContact CB-CD1 3.89Å | ||
| 388 | F | 96.6 | Very high | 98.2 | Very high | 210 Ų | 210 | 59.2 Ų | 59.2 | 92% | 0.921 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133.6 | 174.4 | 174.9 | -95.7 | 0 | 0 | 0 | 110.4 | Y390 | F388-Y390 VanDerWaalsContact C-N 3.28Å; F388-Y390 WeakPolarHBondContact O-CD2 3.46Å; F388-Y390 PolarHBondContact O-N 3.29Å |
| 389 | G | 95.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 64 Ų | 64 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | A387 P416 V417 | A387-G389 PolarHBondContact O-N 2.71Å; G389-P416 WeakPolarHBondContact O-CA 3.46Å; G389-V417 PolarHBondContact O-N 3.21Å |
| 390 | Y | 97.4 | Very high | 98.1 | Very high | 64 Ų | 64 | 62.9 Ų | 62.9 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -121.8 | 150.3 | 176.9 | -67.9 | -95.2 | 0 | 0 | 0 | 112 | D343 I349 A387 F388 L414 A415 V417 | D343-Y390 HydrophobicContact CB-CE1 3.8Å; I349-Y390 HydrophobicContact CD1-CD1 3.76Å; I349-Y390 HydrophobicContact CD1-CD2 4.1Å; I349-Y390 HydrophobicContact CD1-CE1 3.52Å; I349-Y390 HydrophobicContact CD1-CE2 3.88Å; I349-Y390 HydrophobicContact CD1-CG 4.05Å; I349-Y390 HydrophobicContact CG1-CE1 4.35Å; I349-Y390 HydrophobicContact CG1-CE2 4.29Å; I349-Y390 HydrophobicContact CG2-CE2 4.2Å; A387-Y390 HydrophobicContact CB-CD2 3.88Å; A387-Y390 HydrophobicContact CB-CG 4.37Å; A387-Y390 PolarHBondContact O-N 3.42Å; F388-Y390 VanDerWaalsContact C-N 3.28Å; F388-Y390 WeakPolarHBondContact O-CD2 3.46Å; F388-Y390 PolarHBondContact O-N 3.29Å; Y390-L414 HydrophobicContact CD1-CB 3.67Å; Y390-L414 HydrophobicContact CG-CB 4.01Å; Y390-L414 HydrophobicContact CG-CD1 4.46Å; Y390-A415 CarbonylContact C-O 3.51Å; Y390-A415 WeakPolarHBondContact CA-O 3.36Å; Y390-V417 VanDerWaalsContact C-CG2 3.42Å |
| 391 | Q | 97.3 | Very high | 98.1 | Very high | 109 Ų | 109 | 60.6 Ų | 60.6 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 132.1 | 169 | -60.2 | -177.7 | 13.5 | 0 | 0 | 109.1 | S393 A415 V417 | Q391-S393 PolarHBondContact O-N 2.86Å; Q391-A415 PolarHBondContact N-O 3.38Å; Q391-V417 HydrophobicContact CG-CG2 4.16Å |
| 392 | T | 97.9 | Very high | 98 | Very high | 87 Ų | 87 | 61.5 Ų | 61.5 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 132.9 | 172.8 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 393 | S | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 12% | 0.119 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 152.3 | 179.8 | 68.7 | 0 | 0 | 0 | 0 | 111.7 | A385 Q391 F412 | A385-S393 PolarHBondContact N-OG 3.12Å; A385-S393 PolarHBondContact O-N 2.85Å; A385-S393 PolarHBondContact O-OG 3.33Å; Q391-S393 PolarHBondContact O-N 2.86Å; S393-F412 WeakPolarHBondContact OG-CD1 3.46Å |
| 394 | A | 97.6 | Very high | 97.4 | Very high | 80 Ų | 80 | 71.2 Ų | 71.2 | 66% | 0.661 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 140.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 395 | P | 98.3 | Very high | 96.9 | Very high | 86 Ų | 86 | 76.2 Ų | 76.2 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 137.4 | 175.8 | -20.7 | 31.9 | 0 | 0 | 0 | 112.4 | S382 V383 H384 | S382-P395 WeakPolarHBondContact OG-CB 3.36Å; V383-P395 CarbonylContact O-C 3.57Å; V383-P395 WeakPolarHBondContact O-CA 3.33Å; H384-P395 HydrophobicContact CB-CB 4.4Å; H384-P395 HydrophobicContact CB-CG 4.42Å |
| 396 | Q | 98.8 | Very high | 96.8 | Very high | 74 Ų | 74 | 80.1 Ų | 80.1 | 35% | 0.346 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.9 | 174.4 | -61.8 | -172 | 56.3 | 0 | 0 | 110.1 | V383 L410 D411 F412 | V383-Q396 PolarHBondContact N-O 2.83Å; V383-Q396 PolarHBondContact O-N 2.83Å; Q396-L410 HydrophobicContact CB-CD1 4.09Å; Q396-L410 VanDerWaalsContact OE1-CD1 3.29Å; Q396-D411 PolarHBondContact NE2-O 2.87Å; Q396-F412 HydrophobicContact CB-CE1 4.36Å; Q396-F412 HydrophobicContact CG-CE1 4.03Å; Q396-F412 VanDerWaalsContact NE2-CD1 3.3Å; Q396-F412 VanDerWaalsContact NE2-CE1 3.33Å |
| 397 | Q | 98.6 | Very high | 96.8 | Very high | 129 Ų | 129 | 79.5 Ų | 79.5 | 60% | 0.603 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131 | 175.6 | -73.5 | -77.8 | -8.5 | 0 | 0 | 110.2 | Y381 | Y381-Q397 CarbonylContact O-C 3.58Å; Y381-Q397 WeakPolarHBondContact O-CA 3.44Å; Y381-Q397 PolarHBondContact O-OE1 2.92Å |
| 398 | V | 98.5 | Very high | 96.8 | Very high | 18 Ų | 18 | 81.1 Ų | 81.1 | 11% | 0.109 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 132.1 | 178.6 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | I337 Y381 V383 L408 L410 | I337-V398 HydrophobicContact CG2-CG1 4.1Å; I337-V398 HydrophobicContact CG2-CG2 4Å; Y381-V398 PolarHBondContact N-O 3.41Å; Y381-V398 PolarHBondContact O-N 2.69Å; V383-V398 HydrophobicContact CG2-CG1 3.72Å; V398-L408 HydrophobicContact CG2-CD1 4.04Å; V398-L410 HydrophobicContact CB-CD2 4.33Å; V398-L410 HydrophobicContact CG1-CD2 4.21Å |
| 399 | R | 98.5 | Very high | 96.8 | Very high | 167 Ų | 167 | 76.6 Ų | 76.6 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 103 | 174.7 | -178.7 | 179.7 | -63.9 | -79.7 | -2.4 | 109.3 | G379 L380 T401 L408 | G379-R399 CarbonylContact O-C 3.57Å; G379-R399 WeakPolarHBondContact O-CA 3.47Å; L380-R399 HydrophobicContact CD1-CB 4.22Å; R399-T401 HydrophobicContact CG-CG2 4.28Å; R399-L408 WeakPolarHBondContact O-CD1 3.46Å |
| 400 | V | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 125.1 | 174.8 | 177.7 | 0 | 0 | 0 | 0 | 109 | I337 L376 P378 G379 Y381 N402 | I337-V400 HydrophobicContact CG2-CG2 3.82Å; L376-V400 HydrophobicContact CB-CG1 4.4Å; L376-V400 HydrophobicContact CB-CG2 4.33Å; L376-V400 HydrophobicContact CD1-CG2 4.11Å; P378-V400 CarbonylContact C-O 3.48Å; P378-V400 VanDerWaalsContact CA-O 3.26Å; P378-V400 WeakPolarHBondContact CA-O 3.26Å; G379-V400 PolarHBondContact N-O 2.86Å; G379-V400 PolarHBondContact O-N 2.92Å; Y381-V400 HydrophobicContact CD2-CB 4.23Å; Y381-V400 HydrophobicContact CD2-CG2 3.81Å; Y381-V400 HydrophobicContact CE2-CB 4.07Å; Y381-V400 HydrophobicContact CE2-CG2 4.04Å; V400-N402 WeakPolarHBondContact CG1-OD1 3.45Å |
| 401 | T | 97.7 | Very high | 97 | Very high | 51 Ų | 51 | 75.3 Ų | 75.3 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | trans | -115.8 | -26.3 | 174.7 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | R399 D403 | R399-T401 HydrophobicContact CG-CG2 4.28Å; T401-D403 WeakPolarHBondContact CB-OD2 3.28Å; T401-D403 PolarHBondContact O-N 2.66Å; T401-D403 PolarHBondContact OG1-N 2.8Å; T401-D403 PolarHBondContact OG1-OD2 3.35Å | ||
| 402 | N | 96.9 | Very high | 97.1 | Very high | 43 Ų | 43 | 70.2 Ų | 70.2 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | trans | 61.3 | 22.3 | -175.2 | -59.5 | -29.9 | 0 | 0 | 0 | 114.7 | I335 G336 L376 V400 | I335-N402 HydrophobicContact CG2-CB 4.38Å; G336-N402 PolarHBondContact N-OD1 2.95Å; L376-N402 PolarHBondContact O-ND2 3.1Å; V400-N402 WeakPolarHBondContact CG1-OD1 3.45Å | ||
| 403 | D | 93.7 | Very high | 97.1 | Very high | 134 Ų | 134 | 73.2 Ų | 73.2 | 72% | 0.717 | 37% | 0.37 | S | S | * | . | trans | -83.2 | -19 | 175.4 | -53.7 | -50.3 | 0 | 0 | 0 | 112.9 | T401 | T401-D403 WeakPolarHBondContact CB-OD2 3.28Å; T401-D403 PolarHBondContact O-N 2.66Å; T401-D403 PolarHBondContact OG1-N 2.8Å; T401-D403 PolarHBondContact OG1-OD2 3.35Å | ||
| 404 | N | 90.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 72.5 Ų | 72.5 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -83.1 | 157.2 | 179.5 | -64.5 | -42.8 | 0 | 0 | 0 | 111.1 | E406 | N404-E406 PolarHBondContact O-N 3.43Š|
| 405 | Q | 89.6 | Confident | 97 | Very high | 151 Ų | 151 | 70.8 Ų | 70.8 | 71% | 0.706 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -66.2 | -26.3 | 175.3 | -69.8 | -175.9 | -15.6 | 0 | 0 | 113.4 | H334 | H334-Q405 VanDerWaalsContact CB-O 3.31Å; H334-Q405 WeakPolarHBondContact CB-O 3.13Å |
| 406 | E | 95.9 | Very high | 96.7 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -123 | 154.8 | -179.1 | -66.9 | -174.9 | -100.6 | 0 | 0 | 111.3 | L132 H334 K338 N404 | L132-E406 HydrophobicContact CD1-CG 3.75Å; L132-E406 HydrophobicContact CD2-CG 4.05Å; L132-E406 HydrophobicContact CG-CG 4.42Å; H334-E406 CarbonylContact O-C 3.54Å; K338-E406 IonicContact NZ-OE2 2.76Å; K338-E406 PolarHBondContact NZ-OE2 3.22Å; N404-E406 PolarHBondContact O-N 3.43Å |
| 407 | A | 97.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 70.1 Ų | 70.1 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 146.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | H334 K338 R409 | H334-A407 WeakPolarHBondContact O-CA 3.48Å; H334-A407 WeakPolarHBondContact O-CB 3.33Å; H334-A407 PolarHBondContact O-N 3.36Å; K338-A407 HydrophobicContact CB-CB 4.21Å; K338-A407 HydrophobicContact CD-CB 4.08Å; K338-A407 HydrophobicContact CG-CB 3.95Å; A407-R409 PolarHBondContact O-N 3.3Å |
| 408 | L | 98.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 71.5 Ų | 71.5 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 130.5 | -178.7 | -65 | 173.9 | 0 | 0 | 0 | 110.6 | G336 I337 K338 V398 R399 L410 | G336-L408 PolarHBondContact O-N 3.05Å; I337-L408 CarbonylContact C-O 3.56Å; I337-L408 VanDerWaalsContact CA-O 3.23Å; I337-L408 WeakPolarHBondContact CA-O 3.47Å; I337-L408 HydrophobicContact CG2-CB 4.26Å; K338-L408 PolarHBondContact N-O 3.38Å; V398-L408 HydrophobicContact CG2-CD1 4.04Å; R399-L408 WeakPolarHBondContact O-CD1 3.46Å; L408-L410 PolarHBondContact O-N 3.05Å |
| 409 | R | 97.7 | Very high | 93.4 | Very high | 115 Ų | 115 | 75.6 Ų | 75.6 | 43% | 0.434 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 126.4 | 177.1 | -174.2 | 168.4 | 178.2 | 153.5 | -5.3 | 111.1 | N84 K338 A407 D411 | N84-R409 PolarHBondContact ND2-NH1 2.69Å; N84-R409 PolarHBondContact OD1-NH1 3.46Å; N84-R409 VanDerWaalsContact OD1-NH1 3.11Å; K338-R409 CarbonylContact O-C 3.54Å; K338-R409 WeakPolarHBondContact O-CA 3.46Å; A407-R409 PolarHBondContact O-N 3.3Å; R409-D411 IonicContact CZ-OD1 3.14Å; R409-D411 IonicContact CZ-OD2 3.41Å; R409-D411 VanDerWaalsContact CZ-OD2 3.25Å; R409-D411 IonicContact NE-OD1 3.63Å; R409-D411 PolarHBondContact NE-OD1 3.47Å; R409-D411 IonicContact NE-OD2 3.68Å; R409-D411 PolarHBondContact NE-OD2 3.24Å; R409-D411 IonicContact NH2-OD1 2.78Å; R409-D411 IonicContact NH2-OD2 3.39Å; R409-D411 PolarHBondContact NH2-OD2 2.93Å |
| 410 | L | 98.5 | Very high | 90.8 | Very high | 17 Ų | 17 | 73.7 Ų | 73.7 | 9% | 0.089 | 39% | 0.385 | C | S | . | . | trans | -140.2 | 110.9 | 174.2 | -175.9 | 68.7 | 0 | 0 | 0 | 109.2 | I337 K338 G339 Y372 V383 Q396 V398 L408 F412 | I337-L410 HydrophobicContact CD1-CD2 4.12Å; K338-L410 PolarHBondContact O-N 3.12Å; G339-L410 WeakPolarHBondContact CA-O 3.42Å; Y372-L410 WeakPolarHBondContact CE1-O 3.39Å; Y372-L410 PolarHBondContact OH-O 3.09Å; V383-L410 HydrophobicContact CB-CD2 3.9Å; V383-L410 HydrophobicContact CG1-CD2 4.16Å; V383-L410 HydrophobicContact CG2-CD2 4.21Å; Q396-L410 HydrophobicContact CB-CD1 4.09Å; Q396-L410 VanDerWaalsContact OE1-CD1 3.29Å; V398-L410 HydrophobicContact CB-CD2 4.33Å; V398-L410 HydrophobicContact CG1-CD2 4.21Å; L408-L410 PolarHBondContact O-N 3.05Å; L410-F412 HydrophobicContact CD2-CE2 4.07Å; L410-F412 HydrophobicContact CD2-CZ 3.76Å; L410-F412 HydrophobicContact CG-CE2 4.05Å; L410-F412 HydrophobicContact CG-CZ 4.02Å | ||
| 411 | D | 98.5 | Very high | 88.4 | Confident | 59 Ų | 59 | 82.2 Ų | 82.2 | 32% | 0.316 | 42% | 0.422 | S | S | . | . | trans | -103.8 | 152.2 | -177.3 | -64.2 | -17 | 0 | 0 | 0 | 111 | G339 L340 Q396 R409 | G339-D411 VanDerWaalsContact CA-OD1 3.3Å; G339-D411 WeakPolarHBondContact CA-OD1 3.48Å; L340-D411 PolarHBondContact N-OD1 2.88Å; L340-D411 CarbonylContact O-C 3.56Å; L340-D411 WeakPolarHBondContact O-CA 3.42Å; Q396-D411 PolarHBondContact NE2-O 2.87Å; R409-D411 IonicContact CZ-OD1 3.14Å; R409-D411 IonicContact CZ-OD2 3.41Å; R409-D411 VanDerWaalsContact CZ-OD2 3.25Å; R409-D411 IonicContact NE-OD1 3.63Å; R409-D411 PolarHBondContact NE-OD1 3.47Å; R409-D411 IonicContact NE-OD2 3.68Å; R409-D411 PolarHBondContact NE-OD2 3.24Å; R409-D411 IonicContact NH2-OD1 2.78Å; R409-D411 IonicContact NH2-OD2 3.39Å; R409-D411 PolarHBondContact NH2-OD2 2.93Å | ||
| 412 | F | 98.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 85.6 Ų | 85.6 | 0% | 0.004 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.1 | 176.1 | -62.7 | -88.3 | 0 | 0 | 0 | 110.5 | L340 V341 T342 V354 Y372 V383 A385 S393 Q396 L410 | L340-F412 PolarHBondContact O-N 2.79Å; V341-F412 WeakPolarHBondContact CA-O 3.43Å; V341-F412 HydrophobicContact CG1-CB 4.38Å; V341-F412 HydrophobicContact CG2-CB 4.34Å; V341-F412 HydrophobicContact CG2-CD2 4.4Å; T342-F412 PolarHBondContact N-O 3.49Å; V354-F412 HydrophobicContact CG1-CE2 4.14Å; Y372-F412 HydrophobicContact CE1-CD2 4.22Å; Y372-F412 HydrophobicContact CE1-CE2 4.25Å; Y372-F412 WeakPolarHBondContact OH-CE2 3.29Å; V383-F412 HydrophobicContact CB-CZ 4.09Å; V383-F412 HydrophobicContact CG1-CE2 4.19Å; V383-F412 HydrophobicContact CG1-CZ 3.74Å; A385-F412 HydrophobicContact CB-CB 3.76Å; A385-F412 HydrophobicContact CB-CD1 3.95Å; A385-F412 HydrophobicContact CB-CD2 3.88Å; A385-F412 HydrophobicContact CB-CE2 4.49Å; A385-F412 HydrophobicContact CB-CG 3.58Å; S393-F412 WeakPolarHBondContact OG-CD1 3.46Å; Q396-F412 HydrophobicContact CB-CE1 4.36Å; Q396-F412 HydrophobicContact CG-CE1 4.03Å; Q396-F412 VanDerWaalsContact NE2-CD1 3.3Å; Q396-F412 VanDerWaalsContact NE2-CE1 3.33Å; L410-F412 HydrophobicContact CD2-CE2 4.07Å; L410-F412 HydrophobicContact CD2-CZ 3.76Å; L410-F412 HydrophobicContact CG-CE2 4.05Å; L410-F412 HydrophobicContact CG-CZ 4.02Å |
| 413 | K | 98.3 | Very high | 83.5 | Confident | 150 Ų | 150 | 87.3 Ų | 87.3 | 65% | 0.652 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.9 | 168.9 | -67.1 | -169.4 | 175.2 | -172.5 | 0 | 109.2 | T342 | T342-K413 CarbonylContact O-C 3.52Å; T342-K413 WeakPolarHBondContact O-CA 3.49Å |
| 414 | L | 98 | Very high | 81.1 | Confident | 3 Ų | 3 | 88.1 Ų | 88.1 | 2% | 0.016 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.1 | 179.9 | -51.9 | -174.1 | 0 | 0 | 0 | 110.6 | V341 T342 D343 A344 I349 A385 A387 Y390 | V341-L414 HydrophobicContact CG1-CD1 3.71Å; V341-L414 HydrophobicContact CG1-CG 3.88Å; T342-L414 PolarHBondContact O-N 3.04Å; D343-L414 WeakPolarHBondContact CA-O 3.4Å; A344-L414 PolarHBondContact N-O 3.07Å; I349-L414 HydrophobicContact CD1-CB 3.94Å; I349-L414 HydrophobicContact CD1-CD1 4.06Å; I349-L414 HydrophobicContact CD1-CG 4.19Å; A385-L414 HydrophobicContact CB-CD2 4.31Å; A387-L414 HydrophobicContact CB-CD1 3.89Å; Y390-L414 HydrophobicContact CD1-CB 3.67Å; Y390-L414 HydrophobicContact CG-CB 4.01Å; Y390-L414 HydrophobicContact CG-CD1 4.46Å |
| 415 | A | 95.5 | Very high | 78.9 | Confident | 43 Ų | 43 | 88.6 Ų | 88.6 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | trans | -83.7 | 140.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y390 Q391 | Y390-A415 CarbonylContact C-O 3.51Å; Y390-A415 WeakPolarHBondContact CA-O 3.36Å; Q391-A415 PolarHBondContact N-O 3.38Å | ||
| 416 | P | 93.3 | Very high | 76.6 | Confident | 73 Ų | 73 | 85.6 Ų | 85.6 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | B | Isolated β-bridge | trans | -60.2 | 148.6 | 172.1 | 26.8 | -33.1 | 0 | 0 | 0 | 109.7 | G389 E418 | G389-P416 WeakPolarHBondContact O-CA 3.46Å; P416-E418 PolarHBondContact O-N 2.91Å |
| 417 | V | 91.4 | Very high | 73.9 | Confident | 74 Ų | 74 | 90.7 Ų | 90.7 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | trans | -68.8 | 115.3 | 164.6 | -175.6 | 0 | 0 | 0 | 0 | 106 | G389 Y390 Q391 T419 | G389-V417 PolarHBondContact O-N 3.21Å; Y390-V417 VanDerWaalsContact C-CG2 3.42Å; Q391-V417 HydrophobicContact CG-CG2 4.16Å; V417-T419 PolarHBondContact O-N 2.95Å | ||
| 418 | E | 75.6 | Confident | 71.3 | Confident | 157 Ų | 157 | 100.8 Ų | 100.8 | 73% | 0.734 | 54% | 0.535 | S | S | * | . | trans | -58.4 | 109.8 | 171.2 | -75.8 | -174.6 | 166.4 | 0 | 0 | 107.9 | P416 N420 | P416-E418 PolarHBondContact O-N 2.91Å; E418-N420 PolarHBondContact O-N 3.36Å | ||
| 419 | T | 57.6 | Low | 68.3 | Low | 104 Ų | 104 | 103.7 Ų | 103.7 | 64% | 0.638 | 56% | 0.559 | S | S | * | * | trans | -78.2 | 108.1 | 157.9 | 52.2 | 0 | 0 | 0 | 0 | 105.1 | V417 F421 | V417-T419 PolarHBondContact O-N 2.95Å; T419-F421 PolarHBondContact O-N 2.71Å | ||
| 420 | N | 45.8 | Very low | 66.1 | Low | 127 Ų | 127 | 102.5 Ų | 102.5 | 68% | 0.679 | 57% | 0.566 | S | S | * | * | trans | -64.4 | 74.8 | 160 | -77.8 | -10.3 | 0 | 0 | 0 | 107.5 | E418 D422 | E418-N420 PolarHBondContact O-N 3.36Å; N420-D422 PolarHBondContact O-N 3.03Å; N420-D422 VanDerWaalsContact O-N 3.08Å | ||
| 421 | F | 46.9 | Very low | 63.3 | Low | 181 Ų | 181 | 111.3 Ų | 111.3 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | trans | -78.1 | 64.5 | 155 | -95.2 | -79.9 | 0 | 0 | 0 | 106.9 | T419 G423 | T419-F421 PolarHBondContact O-N 2.71Å; F421-G423 VanDerWaalsContact C-N 3.32Å; F421-G423 PolarHBondContact O-N 3.08Å | ||
| 422 | D | 44.3 | Very low | 60.5 | Low | 123 Ų | 123 | 119.8 Ų | 119.8 | 66% | 0.658 | 63% | 0.629 | S | S | * | * | trans | -62.5 | 106.7 | 153.3 | -68.1 | -27.5 | 0 | 0 | 0 | 104.3 | N420 I424 | N420-D422 PolarHBondContact O-N 3.03Å; N420-D422 VanDerWaalsContact O-N 3.08Å; D422-I424 PolarHBondContact O-N 2.67Å | ||
| 423 | G | 47.2 | Very low | 58 | Low | 78 Ų | 78 | 133.3 Ų | 133.3 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -65 | 54.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F421 | F421-G423 VanDerWaalsContact C-N 3.32Å; F421-G423 PolarHBondContact O-N 3.08Å |
| 424 | I | 43.1 | Very low | 56 | Low | 152 Ų | 152 | 132.5 Ų | 132.5 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | trans | -130.4 | 99.9 | 175.2 | -54.1 | -178.1 | 0 | 0 | 0 | 108.8 | D422 | D422-I424 PolarHBondContact O-N 2.67Š| ||
| 425 | S | 44.4 | Very low | 53.7 | Low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -19.6 | 127.2 | 154.8 | 166.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 426 | S | 42.4 | Very low | 51.4 | Low | 88 Ų | 88 | 144.7 Ų | 144.7 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | trans | 157.6 | 121.9 | 135.8 | 52.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 427 | F | 38.3 | Very low | 49 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | -156.1 | 132.3 | 64.6 | -89.7 | -95.5 | 0 | 0 | 0 | 110.6 | S429 | F427-S429 PolarHBondContact O-N 3.5Š| |||
| 428 | Y | 43.6 | Very low | 46.3 | Very low | 222 Ų | 222 | 153.6 Ų | 153.6 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | trans | -53.9 | 129.4 | 148 | -98.6 | -101.3 | 0 | 0 | 0 | 109.2 | ||||
| 429 | S | 36.2 | Very low | 44.4 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -135.9 | 114.7 | 149.7 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | F427 | F427-S429 PolarHBondContact O-N 3.5Š| ||
| 430 | P | 50.3 | Low | 43.4 | Very low | 91 Ų | 91 | 156.9 Ų | 156.9 | 59% | 0.591 | 80% | 0.795 | S | S | * | * | trans | -103.5 | 88 | -173.8 | 36.4 | -26.8 | 0 | 0 | 0 | 110.4 | ||||
| 431 | Y | 39.9 | Very low | 43.2 | Very low | 201 Ų | 201 | 159.2 Ų | 159.2 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -155.8 | 102.9 | 164.3 | -78.4 | -71.2 | 0 | 0 | 0 | 111 | ||||
| 432 | Y | 39.9 | Very low | 42.9 | Very low | 238 Ų | 238 | 157.3 Ų | 157.3 | 93% | 0.933 | 81% | 0.805 | S | S | * | * | trans | -155.6 | 113.3 | 139.9 | -89.5 | -72 | 0 | 0 | 0 | 107.9 | ||||
| 433 | F | 45.6 | Very low | 42.8 | Very low | 285 Ų | 285 | 160.5 Ų | 160.5 | 100% | 1.25 | 82% | 0.818 | S | S | * | * | trans | -89.5 | 0 | 151.8 | -94.7 | -79.9 | 0 | 0 | 0 | 107.8 |
Retrieved 433 of 433 residues in 241.9 ms
(Link to these results)