| 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 | 40 | Very low | 34.3 | Very low | 245 Ų | 245 | 147 Ų | 147 | 100% | 1.207 | 83% | 0.831 | S | S | * | * | 0 | 105.2 | 0 | -134.3 | 166.4 | -175.3 | 0 | 0 | 105.9 | |||||
| 2 | E | 33.4 | Very low | 34 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -69.2 | 137.4 | 169.5 | -70.9 | 172.5 | 137.7 | 0 | 0 | 109 | ||||
| 3 | V | 38.5 | Very low | 34 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -151.5 | 100.2 | 150.9 | -85.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 4 | S | 37.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 90.6 | 97.9 | 86.7 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 5 | S | 32.8 | Very low | 33.8 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -11.6 | 138.2 | 144.3 | -49.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 6 | T | 36.3 | Very low | 33.4 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | -146.1 | 111.6 | 129.4 | 29.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 7 | N | 31.3 | Very low | 33.4 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -58.1 | 138.2 | 163.6 | -72 | -40.8 | 0 | 0 | 0 | 109.6 | ||||
| 8 | N | 35.9 | Very low | 33.8 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -120.9 | 92.2 | 150.7 | -163.2 | 9.7 | 0 | 0 | 0 | 108.1 | ||||
| 9 | S | 32.4 | Very low | 33.6 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -97 | 121.1 | 171.4 | -69.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 10 | K | 29.1 | Very low | 33.6 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 65% | 0.648 | 80% | 0.802 | S | S | * | * | trans | 72.3 | 133.8 | 142.8 | -157.1 | 156.1 | -176.8 | -178.4 | 0 | 116.8 | E12 | K10-E12 WeakPolarHBondContact CE-OE2 3.42Å; K10-E12 IonicContact NZ-OE2 2.66Å; K10-E12 PolarHBondContact NZ-OE2 3.33Å | ||
| 11 | P | 30.6 | Very low | 33.6 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | -126.2 | 131.6 | 76.3 | 17.2 | 3.8 | 0 | 0 | 0 | 115.5 | Q13 | P11-Q13 PolarHBondContact O-N 3.08Š| |||
| 12 | E | 30.6 | Very low | 33.4 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | trans | -57.4 | 114.9 | 149.5 | -108.6 | 160.2 | 105.7 | 0 | 0 | 106.9 | K10 | K10-E12 WeakPolarHBondContact CE-OE2 3.42Å; K10-E12 IonicContact NZ-OE2 2.66Å; K10-E12 PolarHBondContact NZ-OE2 3.33Å | ||
| 13 | Q | 33.2 | Very low | 33.5 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -106.4 | 103.6 | 151.3 | -85.2 | -161.5 | -15.9 | 0 | 0 | 108 | P11 I15 | P11-Q13 PolarHBondContact O-N 3.08Å; Q13-I15 PolarHBondContact O-N 3.41Å; Q13-I15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | V | 30.6 | Very low | 33.3 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -56.5 | 103.3 | 158.7 | 174.4 | 0 | 0 | 0 | 0 | 107.2 | E16 | V14-E16 HydrophobicContact CG1-CG 4.04Š| ||
| 15 | I | 34.2 | Very low | 33.4 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | -100.3 | 89.8 | 159.4 | -62.8 | 175 | 0 | 0 | 0 | 105.4 | Q13 Q17 | Q13-I15 PolarHBondContact O-N 3.41Å; Q13-I15 VanDerWaalsContact O-N 3.14Å; I15-Q17 PolarHBondContact O-N 3.48Å | ||
| 16 | E | 28.5 | Very low | 33.7 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | -63 | 117.6 | 153.6 | -79.2 | -171.8 | 160.1 | 0 | 0 | 107.7 | V14 | V14-E16 HydrophobicContact CG1-CG 4.04Š| ||
| 17 | Q | 33.8 | Very low | 33.7 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -150.3 | 151.8 | 149.9 | -87.2 | -135.6 | -20.4 | 0 | 0 | 110.7 | I15 | I15-Q17 PolarHBondContact O-N 3.48Š| ||
| 18 | P | 39.1 | Very low | 33.8 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | -106.3 | 146.3 | -129.9 | 36.4 | -31.3 | 0 | 0 | 0 | 113.9 | |||||
| 19 | G | 30.8 | Very low | 34.1 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | 45 | 79.4 | 139.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 20 | E | 34.4 | Very low | 34.1 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | -114.8 | 88.1 | 150.2 | -135 | 175.1 | -168.1 | 0 | 0 | 109.1 | V22 | E20-V22 PolarHBondContact O-N 3.07Š| ||
| 21 | S | 33.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -65.7 | 105.3 | 167.8 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 22 | V | 36.3 | Very low | 35.6 | Very low | 115 Ų | 115 | 139 Ų | 139 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | -142.7 | 98.7 | 160.7 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | E20 | E20-V22 PolarHBondContact O-N 3.07Š| ||
| 23 | L | 34.8 | Very low | 36.2 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 73.1 | 69.5 | 145.6 | -56.1 | 170.6 | 0 | 0 | 0 | 117.8 | S25 | L23-S25 PolarHBondContact O-N 2.8Š| ||
| 24 | E | 33.6 | Very low | 36.9 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -55.7 | 82.7 | 137.5 | -168.2 | 80.7 | -143.8 | 0 | 0 | 109 | N26 | E24-N26 PolarHBondContact OE1-ND2 3.34Š| ||
| 25 | S | 39.1 | Very low | 37.7 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | -106.1 | 69.6 | 161.8 | 64.1 | 0 | 0 | 0 | 0 | 108.5 | L23 A27 | L23-S25 PolarHBondContact O-N 2.8Å; S25-A27 PolarHBondContact O-N 2.88Å | ||
| 26 | N | 39.3 | Very low | 38.6 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -68.8 | 67.7 | 161.2 | -113.5 | -50.7 | 0 | 0 | 0 | 108.3 | E24 K28 | E24-N26 PolarHBondContact OE1-ND2 3.34Å; N26-K28 PolarHBondContact O-N 3.12Å | ||
| 27 | A | 37 | Very low | 40.1 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -70.7 | 85.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | S25 | S25-A27 PolarHBondContact O-N 2.88Š| ||
| 28 | K | 34 | Very low | 41.5 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | trans | -48.9 | 121.7 | 166 | -173.1 | 169.7 | -172.3 | 169.9 | 0 | 107.4 | N26 E30 | N26-K28 PolarHBondContact O-N 3.12Å; K28-E30 PolarHBondContact O-N 3.21Å | ||
| 29 | P | 41 | Very low | 43 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | trans | -61.3 | 111.4 | -178.1 | 20.8 | -29.8 | 0 | 0 | 0 | 109 | R31 | P29-R31 PolarHBondContact O-N 3.38Š| ||
| 30 | E | 34.1 | Very low | 45 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | trans | -56.6 | 105.9 | 169.7 | -77 | -85.2 | 142.1 | 0 | 0 | 107.4 | K28 | K28-E30 PolarHBondContact O-N 3.21Š| ||
| 31 | R | 43.7 | Very low | 46.8 | Very low | 224 Ų | 224 | 131.6 Ų | 131.6 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | -57 | 127.7 | 178.3 | -161.6 | -171.3 | -62.2 | 160.5 | -1.2 | 107.7 | P29 K33 | P29-R31 PolarHBondContact O-N 3.38Å; R31-K33 PolarHBondContact O-N 3.28Å | ||
| 32 | P | 45.8 | Very low | 48.6 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | trans | -54.9 | 133.1 | -179.9 | 20.6 | -31.2 | 0 | 0 | 0 | 109.6 | S34 | P32-S34 PolarHBondContact O-N 3.3Š| ||
| 33 | K | 43.8 | Very low | 50 | Low | 197 Ų | 197 | 126 Ų | 126 | 86% | 0.857 | 65% | 0.654 | S | S | * | * | trans | -47.6 | 114.6 | -176.7 | -68.8 | 171 | -177.6 | 169.4 | 0 | 108.7 | R31 H35 | R31-K33 PolarHBondContact O-N 3.28Å; K33-H35 PolarHBondContact O-N 3.41Å | ||
| 34 | S | 47.6 | Very low | 51.9 | Low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 64% | 0.64 | S | S | * | * | trans | -61.6 | 99.8 | -178.8 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | P32 F36 | P32-S34 PolarHBondContact O-N 3.3Å; S34-F36 PolarHBondContact O-N 2.95Å | ||
| 35 | H | 46.9 | Very low | 53.7 | Low | 147 Ų | 147 | 120.5 Ų | 120.5 | 68% | 0.681 | 63% | 0.631 | S | S | * | * | trans | -57.2 | 138.7 | 156 | -77.8 | -78.6 | 0 | 0 | 0 | 107.5 | K33 F37 | K33-H35 PolarHBondContact O-N 3.41Å; H35-F37 HydrophobicContact CB-CD2 4.2Å; H35-F37 HydrophobicContact CB-CE2 3.58Å; H35-F37 HydrophobicContact CB-CZ 3.86Å; H35-F37 WeakPolarHBondContact O-CD2 3.36Å; H35-F37 PolarHBondContact O-N 3.49Å | ||
| 36 | F | 54.1 | Low | 55.2 | Low | 211 Ų | 211 | 119.3 Ų | 119.3 | 93% | 0.925 | 62% | 0.617 | S | S | * | * | trans | -62.6 | 81.4 | -175 | -179.3 | -100.6 | 0 | 0 | 0 | 110.1 | S34 | S34-F36 PolarHBondContact O-N 2.95Š| ||
| 37 | F | 59.8 | Low | 56.5 | Low | 121 Ų | 121 | 118.1 Ų | 118.1 | 53% | 0.531 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -91.8 | 129.7 | 175.8 | -67.2 | -66.4 | 0 | 0 | 0 | 108.9 | H35 S39 C63 | H35-F37 HydrophobicContact CB-CD2 4.2Å; H35-F37 HydrophobicContact CB-CE2 3.58Å; H35-F37 HydrophobicContact CB-CZ 3.86Å; H35-F37 WeakPolarHBondContact O-CD2 3.36Å; H35-F37 PolarHBondContact O-N 3.49Å; F37-S39 PolarHBondContact O-N 3.45Å; F37-C63 WeakPolarHBondContact CE1-SG 3.36Å |
| 38 | P | 63.5 | Low | 58.4 | Low | 65 Ų | 65 | 123 Ų | 123 | 42% | 0.422 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 137.6 | 170.2 | 25.1 | -31.9 | 0 | 0 | 0 | 109.3 | T42 L43 | P38-T42 HydrophobicContact CB-CG2 4.49Å; P38-L43 HydrophobicContact CG-CD2 3.99Å |
| 39 | S | 69.4 | Low | 60.5 | Low | 68 Ų | 68 | 117.5 Ų | 117.5 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 141.8 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 111 | F37 S41 T42 L43 | F37-S39 PolarHBondContact O-N 3.45Å; S39-S41 PolarHBondContact O-N 2.77Å; S39-S41 VanDerWaalsContact O-N 3.08Å; S39-S41 PolarHBondContact OG-N 3Å; S39-S41 PolarHBondContact OG-OG 3.48Å; S39-T42 WeakPolarHBondContact O-CA 3.43Å; S39-T42 VanDerWaalsContact O-CB 3.25Å; S39-T42 WeakPolarHBondContact O-CB 3.34Å; S39-T42 PolarHBondContact O-N 3.05Å; S39-L43 PolarHBondContact O-N 2.92Å |
| 40 | F | 73.7 | Confident | 61.8 | Low | 145 Ų | 145 | 116.1 Ų | 116.1 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -51.6 | -32.9 | 173.8 | 179.4 | -105.9 | 0 | 0 | 0 | 112.6 | T42 L43 L44 | F40-T42 PolarHBondContact O-N 2.9Å; F40-L43 WeakPolarHBondContact O-CB 3.49Å; F40-L43 PolarHBondContact O-N 3.46Å; F40-L43 VanDerWaalsContact O-N 3.14Å; F40-L44 HydrophobicContact CD1-CD1 3.92Å; F40-L44 HydrophobicContact CD1-CG 4.23Å; F40-L44 HydrophobicContact CE1-CD1 3.37Å; F40-L44 HydrophobicContact CE1-CD2 4.31Å; F40-L44 HydrophobicContact CE1-CG 3.74Å; F40-L44 HydrophobicContact CE2-CG 4.47Å; F40-L44 HydrophobicContact CZ-CD1 3.95Å; F40-L44 HydrophobicContact CZ-CD2 4.02Å; F40-L44 HydrophobicContact CZ-CG 3.87Å; F40-L44 PolarHBondContact O-N 3.21Å |
| 41 | S | 72.8 | Confident | 63.4 | Low | 64 Ų | 64 | 112.2 Ų | 112.2 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.7 | -40.8 | 174 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | S39 L43 L44 N45 | S39-S41 PolarHBondContact O-N 2.77Å; S39-S41 VanDerWaalsContact O-N 3.08Å; S39-S41 PolarHBondContact OG-N 3Å; S39-S41 PolarHBondContact OG-OG 3.48Å; S41-L43 VanDerWaalsContact C-N 3.26Å; S41-L43 PolarHBondContact O-N 3.02Å; S41-L44 PolarHBondContact O-N 3.37Å; S41-N45 WeakPolarHBondContact O-CB 3.37Å; S41-N45 VanDerWaalsContact O-CG 3.26Å; S41-N45 PolarHBondContact O-N 2.71Å; S41-N45 PolarHBondContact O-ND2 2.88Å |
| 42 | T | 70.6 | Confident | 64.5 | Low | 65 Ų | 65 | 103.1 Ų | 103.1 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.3 | -35.9 | 174.7 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | P38 S39 F40 N46 | P38-T42 HydrophobicContact CB-CG2 4.49Å; S39-T42 WeakPolarHBondContact O-CA 3.43Å; S39-T42 VanDerWaalsContact O-CB 3.25Å; S39-T42 WeakPolarHBondContact O-CB 3.34Å; S39-T42 PolarHBondContact O-N 3.05Å; F40-T42 PolarHBondContact O-N 2.9Å; T42-N46 PolarHBondContact O-N 3.44Å; T42-N46 VanDerWaalsContact O-N 3.14Å; T42-N46 PolarHBondContact O-ND2 3.4Å; T42-N46 VanDerWaalsContact O-ND2 3.17Å |
| 43 | L | 66.4 | Low | 66.1 | Low | 46 Ų | 46 | 102.3 Ų | 102.3 | 24% | 0.241 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -69 | -47 | 177.3 | -59.9 | -177.8 | 0 | 0 | 0 | 112.4 | P38 S39 F40 S41 N45 N46 L47 N60 | P38-L43 HydrophobicContact CG-CD2 3.99Å; S39-L43 PolarHBondContact O-N 2.92Å; F40-L43 WeakPolarHBondContact O-CB 3.49Å; F40-L43 PolarHBondContact O-N 3.46Å; F40-L43 VanDerWaalsContact O-N 3.14Å; S41-L43 VanDerWaalsContact C-N 3.26Å; S41-L43 PolarHBondContact O-N 3.02Å; L43-N45 VanDerWaalsContact C-N 3.26Å; L43-N45 PolarHBondContact O-N 3.28Å; L43-N46 PolarHBondContact O-N 3.1Å; L43-L47 PolarHBondContact O-N 3.01Å; L43-N60 HydrophobicContact CD1-CB 4.48Å; L43-N60 VanDerWaalsContact CD2-ND2 3.28Å; L43-N60 WeakPolarHBondContact CD2-ND2 3.39Å |
| 44 | L | 73.2 | Confident | 67.7 | Low | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.9 | -39.6 | 175 | -78.6 | 178.2 | 0 | 0 | 0 | 111.9 | F40 S41 L47 K48 | F40-L44 HydrophobicContact CD1-CD1 3.92Å; F40-L44 HydrophobicContact CD1-CG 4.23Å; F40-L44 HydrophobicContact CE1-CD1 3.37Å; F40-L44 HydrophobicContact CE1-CD2 4.31Å; F40-L44 HydrophobicContact CE1-CG 3.74Å; F40-L44 HydrophobicContact CE2-CG 4.47Å; F40-L44 HydrophobicContact CZ-CD1 3.95Å; F40-L44 HydrophobicContact CZ-CD2 4.02Å; F40-L44 HydrophobicContact CZ-CG 3.87Å; F40-L44 PolarHBondContact O-N 3.21Å; S41-L44 PolarHBondContact O-N 3.37Å; L44-L47 PolarHBondContact O-N 2.91Å; L44-K48 WeakPolarHBondContact O-CB 3.41Å; L44-K48 PolarHBondContact O-N 3.23Å |
| 45 | N | 72.8 | Confident | 69.3 | Low | 107 Ų | 107 | 97.9 Ų | 97.9 | 57% | 0.572 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 177.3 | -74.1 | -20.9 | 0 | 0 | 0 | 111.6 | S41 L43 L47 K48 S49 | S41-N45 WeakPolarHBondContact O-CB 3.37Å; S41-N45 VanDerWaalsContact O-CG 3.26Å; S41-N45 PolarHBondContact O-N 2.71Å; S41-N45 PolarHBondContact O-ND2 2.88Å; L43-N45 VanDerWaalsContact C-N 3.26Å; L43-N45 PolarHBondContact O-N 3.28Å; N45-L47 VanDerWaalsContact C-N 3.33Å; N45-L47 PolarHBondContact O-N 3.43Å; N45-K48 PolarHBondContact O-N 3.14Å; N45-S49 WeakPolarHBondContact O-CB 3.23Å; N45-S49 PolarHBondContact O-N 3.37Å; N45-S49 PolarHBondContact O-OG 3.42Å |
| 46 | N | 68.8 | Low | 70.8 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 176.9 | -76 | -39.9 | 0 | 0 | 0 | 113.4 | T42 L43 S49 G50 | T42-N46 PolarHBondContact O-N 3.44Å; T42-N46 VanDerWaalsContact O-N 3.14Å; T42-N46 PolarHBondContact O-ND2 3.4Å; T42-N46 VanDerWaalsContact O-ND2 3.17Å; L43-N46 PolarHBondContact O-N 3.1Å; N46-S49 WeakPolarHBondContact CA-OG 3.43Å; N46-S49 PolarHBondContact O-OG 3.17Å; N46-G50 PolarHBondContact O-N 3Å |
| 47 | L | 68.2 | Low | 72 | Confident | 112 Ų | 112 | 87.3 Ų | 87.3 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.6 | -43.1 | 174.7 | -170.6 | 70.2 | 0 | 0 | 0 | 111.1 | L43 L44 N45 G50 L57 | L43-L47 PolarHBondContact O-N 3.01Å; L44-L47 PolarHBondContact O-N 2.91Å; N45-L47 VanDerWaalsContact C-N 3.33Å; N45-L47 PolarHBondContact O-N 3.43Å; L47-G50 PolarHBondContact O-N 3.47Å; L47-L57 HydrophobicContact CD1-CD1 4.37Å; L47-L57 HydrophobicContact CD1-CD2 4.02Å |
| 48 | K | 75.9 | Confident | 73.2 | Confident | 189 Ų | 189 | 86.4 Ų | 86.4 | 82% | 0.822 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.7 | -32.7 | 179.6 | -168 | 171.1 | -177.7 | -177 | 0 | 112.7 | L44 N45 | L44-K48 WeakPolarHBondContact O-CB 3.41Å; L44-K48 PolarHBondContact O-N 3.23Å; N45-K48 PolarHBondContact O-N 3.14Å |
| 49 | S | 78.1 | Confident | 74.1 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 46% | 0.462 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -80.6 | -14 | 177.2 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | N45 N46 T51 | N45-S49 WeakPolarHBondContact O-CB 3.23Å; N45-S49 PolarHBondContact O-N 3.37Å; N45-S49 PolarHBondContact O-OG 3.42Å; N46-S49 WeakPolarHBondContact CA-OG 3.43Å; N46-S49 PolarHBondContact O-OG 3.17Å; S49-T51 PolarHBondContact O-N 3.33Å; S49-T51 PolarHBondContact OG-OG1 3.47Å |
| 50 | G | 69.4 | Low | 74.6 | Confident | 66 Ų | 66 | 86.6 Ų | 86.6 | 68% | 0.68 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 16.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N46 L47 | N46-G50 PolarHBondContact O-N 3Å; L47-G50 PolarHBondContact O-N 3.47Å |
| 51 | T | 67.2 | Low | 75.2 | Confident | 105 Ų | 105 | 84.7 Ų | 84.7 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | trans | -93.7 | 4.4 | -174.3 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | S49 | S49-T51 PolarHBondContact O-N 3.33Å; S49-T51 PolarHBondContact OG-OG1 3.47Å | ||
| 52 | G | 67.4 | Low | 75.9 | Confident | 33 Ų | 33 | 86.9 Ų | 86.9 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | trans | -91.3 | 134.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 53 | S | 78.1 | Confident | 76.5 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | trans | -61.9 | 138.1 | 167.1 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | S55 V56 L57 | S53-S55 PolarHBondContact O-N 3.47Å; S53-S55 VanDerWaalsContact O-N 3.07Å; S53-S55 PolarHBondContact OG-N 3.14Å; S53-S55 PolarHBondContact OG-OG 3.4Å; S53-V56 WeakPolarHBondContact O-CB 3.37Å; S53-V56 PolarHBondContact O-N 2.86Å; S53-L57 PolarHBondContact O-N 2.88Å | ||
| 54 | L | 78.5 | Confident | 77.3 | Confident | 147 Ų | 147 | 86.4 Ų | 86.4 | 77% | 0.77 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -49.9 | -35.5 | 175.8 | -78 | 170 | 0 | 0 | 0 | 112.5 | V56 L57 L58 | L54-V56 VanDerWaalsContact C-N 3.32Å; L54-V56 PolarHBondContact O-N 3.17Å; L54-L57 PolarHBondContact O-N 3.22Å; L54-L58 PolarHBondContact O-N 3.47Å; L54-L58 VanDerWaalsContact O-N 3.08Å |
| 55 | S | 81 | Confident | 77.9 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 176.5 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | S53 L58 V59 | S53-S55 PolarHBondContact O-N 3.47Å; S53-S55 VanDerWaalsContact O-N 3.07Å; S53-S55 PolarHBondContact OG-N 3.14Å; S53-S55 PolarHBondContact OG-OG 3.4Å; S55-L58 PolarHBondContact O-N 3.32Å; S55-V59 WeakPolarHBondContact O-CG2 3.28Å; S55-V59 PolarHBondContact O-N 2.95Å; S55-V59 VanDerWaalsContact O-N 3.12Å |
| 56 | V | 77.9 | Confident | 78.4 | Confident | 69 Ų | 69 | 88.2 Ų | 88.2 | 42% | 0.418 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71 | -40.8 | 178.9 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | S53 L54 L58 V59 N60 | S53-V56 WeakPolarHBondContact O-CB 3.37Å; S53-V56 PolarHBondContact O-N 2.86Å; L54-V56 VanDerWaalsContact C-N 3.32Å; L54-V56 PolarHBondContact O-N 3.17Å; V56-L58 VanDerWaalsContact C-N 3.32Å; V56-L58 PolarHBondContact O-N 3Å; V56-V59 PolarHBondContact O-N 3.02Å; V56-N60 WeakPolarHBondContact CG1-ND2 3.44Å; V56-N60 WeakPolarHBondContact O-CB 3.36Å; V56-N60 PolarHBondContact O-N 3.06Å; V56-N60 PolarHBondContact O-ND2 3.05Å |
| 57 | L | 79.9 | Confident | 79.3 | Confident | 68 Ų | 68 | 90.4 Ų | 90.4 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.7 | -64 | 179.3 | 0 | 0 | 0 | 111.5 | L47 S53 L54 N60 L61 | L47-L57 HydrophobicContact CD1-CD1 4.37Å; L47-L57 HydrophobicContact CD1-CD2 4.02Å; S53-L57 PolarHBondContact O-N 2.88Å; L54-L57 PolarHBondContact O-N 3.22Å; L57-N60 PolarHBondContact O-N 3.44Å; L57-L61 WeakPolarHBondContact O-CB 3.4Å; L57-L61 PolarHBondContact O-N 3.42Å |
| 58 | L | 84.6 | Confident | 80.1 | Confident | 102 Ų | 102 | 87.1 Ų | 87.1 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -46.9 | 179 | -175 | 63.9 | 0 | 0 | 0 | 112.3 | L54 S55 V56 N60 L61 L62 | L54-L58 PolarHBondContact O-N 3.47Å; L54-L58 VanDerWaalsContact O-N 3.08Å; S55-L58 PolarHBondContact O-N 3.32Å; V56-L58 VanDerWaalsContact C-N 3.32Å; V56-L58 PolarHBondContact O-N 3Å; L58-N60 VanDerWaalsContact C-N 3.3Å; L58-N60 PolarHBondContact O-N 3.28Å; L58-L61 PolarHBondContact O-N 3.11Å; L58-L62 HydrophobicContact CD1-CD1 4.46Å; L58-L62 HydrophobicContact CD1-CG 4.49Å; L58-L62 HydrophobicContact CG-CD1 4.18Å; L58-L62 WeakPolarHBondContact O-CB 3.49Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.39Å |
| 59 | V | 83.2 | Confident | 80.6 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | 177.2 | 172 | 0 | 0 | 0 | 0 | 110.9 | S55 V56 C63 | S55-V59 WeakPolarHBondContact O-CG2 3.28Å; S55-V59 PolarHBondContact O-N 2.95Å; S55-V59 VanDerWaalsContact O-N 3.12Å; V56-V59 PolarHBondContact O-N 3.02Å; V59-C63 VanDerWaalsContact O-CB 3.23Å; V59-C63 WeakPolarHBondContact O-CB 3.4Å; V59-C63 PolarHBondContact O-N 3.48Å |
| 60 | N | 79.4 | Confident | 81 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 23% | 0.225 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68 | -40.6 | 178.2 | -69.2 | -26.6 | 0 | 0 | 0 | 112.4 | L43 V56 L57 L58 C63 S64 | L43-N60 HydrophobicContact CD1-CB 4.48Å; L43-N60 VanDerWaalsContact CD2-ND2 3.28Å; L43-N60 WeakPolarHBondContact CD2-ND2 3.39Å; V56-N60 WeakPolarHBondContact CG1-ND2 3.44Å; V56-N60 WeakPolarHBondContact O-CB 3.36Å; V56-N60 PolarHBondContact O-N 3.06Å; V56-N60 PolarHBondContact O-ND2 3.05Å; L57-N60 PolarHBondContact O-N 3.44Å; L58-N60 VanDerWaalsContact C-N 3.3Å; L58-N60 PolarHBondContact O-N 3.28Å; N60-C63 PolarHBondContact O-N 3.08Å; N60-S64 WeakPolarHBondContact O-CB 3.14Å; N60-S64 PolarHBondContact O-N 3.13Å; N60-S64 PolarHBondContact O-OG 2.74Å |
| 61 | L | 85.5 | Confident | 82 | Confident | 105 Ų | 105 | 86.6 Ų | 86.6 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -51.3 | 175.3 | -178.9 | 66.3 | 0 | 0 | 0 | 110.3 | L57 L58 C63 S64 V65 | L57-L61 WeakPolarHBondContact O-CB 3.4Å; L57-L61 PolarHBondContact O-N 3.42Å; L58-L61 PolarHBondContact O-N 3.11Å; L61-C63 VanDerWaalsContact C-N 3.32Å; L61-C63 PolarHBondContact O-N 3.42Å; L61-S64 PolarHBondContact O-N 2.85Å; L61-S64 PolarHBondContact O-OG 2.88Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 2.78Å; L61-V65 VanDerWaalsContact O-N 3.1Å |
| 62 | L | 87.6 | Confident | 83 | Confident | 111 Ų | 111 | 86.3 Ų | 86.3 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.7 | -44.1 | 177.5 | -70.7 | 172.5 | 0 | 0 | 0 | 111.8 | L58 S64 V65 Y66 | L58-L62 HydrophobicContact CD1-CD1 4.46Å; L58-L62 HydrophobicContact CD1-CG 4.49Å; L58-L62 HydrophobicContact CG-CD1 4.18Å; L58-L62 WeakPolarHBondContact O-CB 3.49Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.39Å; L62-S64 PolarHBondContact O-N 3.42Å; L62-V65 PolarHBondContact O-N 3.03Å; L62-Y66 PolarHBondContact O-N 2.87Å |
| 63 | C | 83.4 | Confident | 84.1 | Confident | 34 Ų | 34 | 87.3 Ų | 87.3 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | F37 V59 N60 L61 V65 Y66 F67 | F37-C63 WeakPolarHBondContact CE1-SG 3.36Å; V59-C63 VanDerWaalsContact O-CB 3.23Å; V59-C63 WeakPolarHBondContact O-CB 3.4Å; V59-C63 PolarHBondContact O-N 3.48Å; N60-C63 PolarHBondContact O-N 3.08Å; L61-C63 VanDerWaalsContact C-N 3.32Å; L61-C63 PolarHBondContact O-N 3.42Å; C63-V65 VanDerWaalsContact C-N 3.31Å; C63-V65 PolarHBondContact O-N 3.27Å; C63-Y66 PolarHBondContact O-N 3.35Å; C63-F67 VanDerWaalsContact O-CB 3.27Å; C63-F67 WeakPolarHBondContact O-CB 3.35Å; C63-F67 PolarHBondContact O-N 3.33Å |
| 64 | S | 83 | Confident | 84.6 | Confident | 67 Ų | 67 | 85.5 Ų | 85.5 | 47% | 0.469 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 178.6 | 71.9 | 0 | 0 | 0 | 0 | 112.2 | N60 L61 L62 A68 | N60-S64 WeakPolarHBondContact O-CB 3.14Å; N60-S64 PolarHBondContact O-N 3.13Å; N60-S64 PolarHBondContact O-OG 2.74Å; L61-S64 PolarHBondContact O-N 2.85Å; L61-S64 PolarHBondContact O-OG 2.88Å; L62-S64 PolarHBondContact O-N 3.42Å; S64-A68 WeakPolarHBondContact O-CB 3.43Å; S64-A68 PolarHBondContact O-N 3.46Å |
| 65 | V | 85.6 | Confident | 85.2 | Confident | 74 Ų | 74 | 80.6 Ų | 80.6 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.6 | -49.3 | 175 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | L61 L62 C63 F67 A68 E69 | L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 2.78Å; L61-V65 VanDerWaalsContact O-N 3.1Å; L62-V65 PolarHBondContact O-N 3.03Å; C63-V65 VanDerWaalsContact C-N 3.31Å; C63-V65 PolarHBondContact O-N 3.27Å; V65-F67 VanDerWaalsContact C-N 3.33Å; V65-F67 PolarHBondContact O-N 3Å; V65-A68 WeakPolarHBondContact O-CB 3.25Å; V65-A68 PolarHBondContact O-N 3.49Å; V65-A68 VanDerWaalsContact O-N 3.11Å; V65-E69 PolarHBondContact O-N 2.91Å |
| 66 | Y | 83.4 | Confident | 85.8 | Confident | 158 Ų | 158 | 80.9 Ų | 80.9 | 62% | 0.62 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.3 | -41.3 | 178.7 | -173.4 | -96.3 | 0 | 0 | 0 | 112.4 | L62 C63 A68 E69 E70 | L62-Y66 PolarHBondContact O-N 2.87Å; C63-Y66 PolarHBondContact O-N 3.35Å; Y66-A68 VanDerWaalsContact C-N 3.32Å; Y66-A68 PolarHBondContact O-N 3.27Å; Y66-E69 PolarHBondContact O-N 3.43Å; Y66-E70 PolarHBondContact O-N 3.02Å; Y66-E70 VanDerWaalsContact O-N 3.13Å |
| 67 | F | 87.8 | Confident | 86.5 | Confident | 115 Ų | 115 | 83.5 Ų | 83.5 | 50% | 0.504 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 175.6 | -171.6 | -109.5 | 0 | 0 | 0 | 112.1 | C63 V65 E70 I71 | C63-F67 VanDerWaalsContact O-CB 3.27Å; C63-F67 WeakPolarHBondContact O-CB 3.35Å; C63-F67 PolarHBondContact O-N 3.33Å; V65-F67 VanDerWaalsContact C-N 3.33Å; V65-F67 PolarHBondContact O-N 3Å; F67-E70 PolarHBondContact O-N 3.4Å; F67-I71 HydrophobicContact CD1-CD1 3.56Å; F67-I71 HydrophobicContact CD1-CG1 4.35Å; F67-I71 HydrophobicContact CE1-CD1 3.31Å; F67-I71 HydrophobicContact CE1-CG1 4.1Å; F67-I71 HydrophobicContact CG-CD1 4.43Å; F67-I71 HydrophobicContact CZ-CD1 3.98Å; F67-I71 HydrophobicContact CZ-CG1 4.32Å; F67-I71 WeakPolarHBondContact O-CG1 3Å; F67-I71 PolarHBondContact O-N 2.9Å |
| 68 | A | 85.3 | Confident | 87 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S64 V65 Y66 I71 I72 | S64-A68 WeakPolarHBondContact O-CB 3.43Å; S64-A68 PolarHBondContact O-N 3.46Å; V65-A68 WeakPolarHBondContact O-CB 3.25Å; V65-A68 PolarHBondContact O-N 3.49Å; V65-A68 VanDerWaalsContact O-N 3.11Å; Y66-A68 VanDerWaalsContact C-N 3.32Å; Y66-A68 PolarHBondContact O-N 3.27Å; A68-I71 PolarHBondContact O-N 3.23Å; A68-I72 WeakPolarHBondContact O-CD1 3.35Å; A68-I72 VanDerWaalsContact O-CG1 3.23Å; A68-I72 WeakPolarHBondContact O-CG1 3.39Å; A68-I72 PolarHBondContact O-N 3.35Å |
| 69 | E | 86 | Confident | 87.3 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 55% | 0.547 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.1 | -70.4 | 177.7 | 175.8 | 0 | 0 | 112.1 | V65 Y66 I72 A73 | V65-E69 PolarHBondContact O-N 2.91Å; Y66-E69 PolarHBondContact O-N 3.43Å; E69-I72 PolarHBondContact O-N 2.97Å; E69-A73 WeakPolarHBondContact O-CB 3.23Å; E69-A73 PolarHBondContact O-N 3.2Å |
| 70 | E | 86.9 | Confident | 87.7 | Confident | 96 Ų | 96 | 85.2 Ų | 85.2 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 177.4 | -173.2 | 64.6 | -157.7 | 0 | 0 | 112 | Y66 F67 I72 A73 G74 | Y66-E70 PolarHBondContact O-N 3.02Å; Y66-E70 VanDerWaalsContact O-N 3.13Å; F67-E70 PolarHBondContact O-N 3.4Å; E70-I72 VanDerWaalsContact C-N 3.35Å; E70-I72 PolarHBondContact O-N 3.32Å; E70-A73 PolarHBondContact O-N 2.89Å; E70-G74 PolarHBondContact O-N 2.92Å |
| 71 | I | 90.3 | Very high | 88.2 | Confident | 96 Ų | 96 | 86.5 Ų | 86.5 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 174.8 | -70.5 | 166.6 | 0 | 0 | 0 | 110.6 | F67 A68 G74 A75 | F67-I71 HydrophobicContact CD1-CD1 3.56Å; F67-I71 HydrophobicContact CD1-CG1 4.35Å; F67-I71 HydrophobicContact CE1-CD1 3.31Å; F67-I71 HydrophobicContact CE1-CG1 4.1Å; F67-I71 HydrophobicContact CG-CD1 4.43Å; F67-I71 HydrophobicContact CZ-CD1 3.98Å; F67-I71 HydrophobicContact CZ-CG1 4.32Å; F67-I71 WeakPolarHBondContact O-CG1 3Å; F67-I71 PolarHBondContact O-N 2.9Å; A68-I71 PolarHBondContact O-N 3.23Å; I71-G74 PolarHBondContact O-N 2.74Å; I71-A75 WeakPolarHBondContact O-CB 3.42Å; I71-A75 PolarHBondContact O-N 3Å |
| 72 | I | 89.5 | Confident | 88.5 | Confident | 99 Ų | 99 | 85.9 Ų | 85.9 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | -179.8 | -67.2 | 163.4 | 0 | 0 | 0 | 110.4 | A68 E69 E70 A75 N76 | A68-I72 WeakPolarHBondContact O-CD1 3.35Å; A68-I72 VanDerWaalsContact O-CG1 3.23Å; A68-I72 WeakPolarHBondContact O-CG1 3.39Å; A68-I72 PolarHBondContact O-N 3.35Å; E69-I72 PolarHBondContact O-N 2.97Å; E70-I72 VanDerWaalsContact C-N 3.35Å; E70-I72 PolarHBondContact O-N 3.32Å; I72-A75 PolarHBondContact O-N 3.02Å; I72-N76 WeakPolarHBondContact O-CB 3.49Å; I72-N76 PolarHBondContact O-N 3.42Å; I72-N76 PolarHBondContact O-ND2 3.01Å |
| 73 | A | 89.7 | Confident | 88.7 | Confident | 54 Ų | 54 | 85.7 Ų | 85.7 | 45% | 0.446 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E69 E70 N76 K77 | E69-A73 WeakPolarHBondContact O-CB 3.23Å; E69-A73 PolarHBondContact O-N 3.2Å; E70-A73 PolarHBondContact O-N 2.89Å; A73-N76 PolarHBondContact O-N 2.88Å; A73-K77 WeakPolarHBondContact O-CB 3.35Å; A73-K77 PolarHBondContact O-N 3.31Å |
| 74 | G | 88.9 | Confident | 89 | Confident | 32 Ų | 32 | 88.3 Ų | 88.3 | 33% | 0.33 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E70 I71 K77 L78 | E70-G74 PolarHBondContact O-N 2.92Å; I71-G74 PolarHBondContact O-N 2.74Å; G74-K77 PolarHBondContact O-N 2.82Å; G74-L78 WeakPolarHBondContact O-CG 3.23Å; G74-L78 PolarHBondContact O-N 2.67Å |
| 75 | A | 90.9 | Very high | 89.4 | Confident | 45 Ų | 45 | 89.9 Ų | 89.9 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I71 I72 K77 L78 I79 | I71-A75 WeakPolarHBondContact O-CB 3.42Å; I71-A75 PolarHBondContact O-N 3Å; I72-A75 PolarHBondContact O-N 3.02Å; A75-K77 VanDerWaalsContact C-N 3.28Å; A75-K77 PolarHBondContact O-N 3.47Å; A75-L78 PolarHBondContact O-N 2.9Å; A75-I79 VanDerWaalsContact O-CG1 3.26Å; A75-I79 WeakPolarHBondContact O-CG1 3.41Å; A75-I79 PolarHBondContact O-N 2.93Å |
| 76 | N | 92.7 | Very high | 89.7 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 177.1 | -74.4 | -25.2 | 0 | 0 | 0 | 112.2 | I72 A73 K80 | I72-N76 WeakPolarHBondContact O-CB 3.49Å; I72-N76 PolarHBondContact O-N 3.42Å; I72-N76 PolarHBondContact O-ND2 3.01Å; A73-N76 PolarHBondContact O-N 2.88Å; N76-K80 WeakPolarHBondContact O-CB 3.41Å; N76-K80 VanDerWaalsContact O-CG 3.23Å; N76-K80 WeakPolarHBondContact O-CG 3.39Å; N76-K80 PolarHBondContact O-N 3.43Å |
| 77 | K | 92.8 | Very high | 90 | Very high | 124 Ų | 124 | 86.5 Ų | 86.5 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 174.8 | -177.8 | 179.7 | -179.9 | -61.5 | 0 | 111.3 | A73 G74 A75 I79 K80 D81 | A73-K77 WeakPolarHBondContact O-CB 3.35Å; A73-K77 PolarHBondContact O-N 3.31Å; G74-K77 PolarHBondContact O-N 2.82Å; A75-K77 VanDerWaalsContact C-N 3.28Å; A75-K77 PolarHBondContact O-N 3.47Å; K77-I79 VanDerWaalsContact C-N 3.33Å; K77-I79 PolarHBondContact O-N 2.8Å; K77-K80 PolarHBondContact O-N 3.47Å; K77-D81 IonicContact NZ-OD2 2.74Å; K77-D81 PolarHBondContact NZ-OD2 3.45Å; K77-D81 WeakPolarHBondContact O-CB 3.32Å; K77-D81 PolarHBondContact O-N 3.25Å |
| 78 | L | 90.6 | Very high | 90.3 | Very high | 88 Ų | 88 | 86.3 Ų | 86.3 | 46% | 0.461 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 178.4 | -68.2 | 175.6 | 0 | 0 | 0 | 112.2 | G74 A75 T82 | G74-L78 WeakPolarHBondContact O-CG 3.23Å; G74-L78 PolarHBondContact O-N 2.67Å; A75-L78 PolarHBondContact O-N 2.9Å; L78-T82 VanDerWaalsContact O-CB 3.27Å; L78-T82 WeakPolarHBondContact O-CB 3.26Å; L78-T82 PolarHBondContact O-N 2.84Å; L78-T82 PolarHBondContact O-OG1 2.89Å |
| 79 | I | 91.8 | Very high | 90.7 | Very high | 86 Ų | 86 | 87.5 Ų | 87.5 | 44% | 0.441 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 175.4 | -69.3 | 164 | 0 | 0 | 0 | 109.8 | A75 K77 D81 T82 E83 | A75-I79 VanDerWaalsContact O-CG1 3.26Å; A75-I79 WeakPolarHBondContact O-CG1 3.41Å; A75-I79 PolarHBondContact O-N 2.93Å; K77-I79 VanDerWaalsContact C-N 3.33Å; K77-I79 PolarHBondContact O-N 2.8Å; I79-D81 PolarHBondContact O-N 3.46Å; I79-T82 PolarHBondContact O-N 2.81Å; I79-E83 HydrophobicContact CG2-CG 4.31Å; I79-E83 VanDerWaalsContact CG2-OE1 3.32Å; I79-E83 WeakPolarHBondContact CG2-OE1 3.25Å; I79-E83 WeakPolarHBondContact O-CB 3.32Å; I79-E83 VanDerWaalsContact O-CG 3.29Å; I79-E83 WeakPolarHBondContact O-CG 3.29Å; I79-E83 PolarHBondContact O-N 3.35Å |
| 80 | K | 90.1 | Very high | 91 | Very high | 126 Ų | 126 | 88.1 Ų | 88.1 | 55% | 0.548 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 178.6 | -73.1 | 174.1 | -176.7 | -177 | 0 | 112.8 | N76 K77 T82 E83 N84 | N76-K80 WeakPolarHBondContact O-CB 3.41Å; N76-K80 VanDerWaalsContact O-CG 3.23Å; N76-K80 WeakPolarHBondContact O-CG 3.39Å; N76-K80 PolarHBondContact O-N 3.43Å; K77-K80 PolarHBondContact O-N 3.47Å; K80-T82 VanDerWaalsContact C-N 3.33Å; K80-E83 PolarHBondContact O-N 2.89Å; K80-N84 VanDerWaalsContact O-CB 3.32Å; K80-N84 WeakPolarHBondContact O-CB 3.27Å; K80-N84 PolarHBondContact O-N 3.43Å; K80-N84 PolarHBondContact O-ND2 3.05Å |
| 81 | D | 91.2 | Very high | 91.3 | Very high | 68 Ų | 68 | 86.7 Ų | 86.7 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.6 | -68.8 | -15.5 | 0 | 0 | 0 | 109.8 | K77 I79 N84 T85 | K77-D81 IonicContact NZ-OD2 2.74Å; K77-D81 PolarHBondContact NZ-OD2 3.45Å; K77-D81 WeakPolarHBondContact O-CB 3.32Å; K77-D81 PolarHBondContact O-N 3.25Å; I79-D81 PolarHBondContact O-N 3.46Å; D81-N84 PolarHBondContact O-N 2.91Å; D81-T85 WeakPolarHBondContact O-CB 3.28Å; D81-T85 PolarHBondContact O-N 2.8Å; D81-T85 PolarHBondContact O-OG1 2.93Å; D81-T85 VanDerWaalsContact O-OG1 3.06Å |
| 82 | T | 91.6 | Very high | 91.4 | Very high | 93 Ų | 93 | 86.4 Ų | 86.4 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 177 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | L78 I79 K80 T85 A86 | L78-T82 VanDerWaalsContact O-CB 3.27Å; L78-T82 WeakPolarHBondContact O-CB 3.26Å; L78-T82 PolarHBondContact O-N 2.84Å; L78-T82 PolarHBondContact O-OG1 2.89Å; I79-T82 PolarHBondContact O-N 2.81Å; K80-T82 VanDerWaalsContact C-N 3.33Å; T82-T85 PolarHBondContact O-N 2.91Å; T82-A86 VanDerWaalsContact O-CB 3.28Å; T82-A86 WeakPolarHBondContact O-CB 3.21Å; T82-A86 PolarHBondContact O-N 3.06Å |
| 83 | E | 90.7 | Very high | 91.5 | Very high | 107 Ų | 107 | 87.1 Ų | 87.1 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 176.7 | -75.7 | 172.5 | 176.5 | 0 | 0 | 111.1 | I79 K80 T85 A86 L87 | I79-E83 HydrophobicContact CG2-CG 4.31Å; I79-E83 VanDerWaalsContact CG2-OE1 3.32Å; I79-E83 WeakPolarHBondContact CG2-OE1 3.25Å; I79-E83 WeakPolarHBondContact O-CB 3.32Å; I79-E83 VanDerWaalsContact O-CG 3.29Å; I79-E83 WeakPolarHBondContact O-CG 3.29Å; I79-E83 PolarHBondContact O-N 3.35Å; K80-E83 PolarHBondContact O-N 2.89Å; E83-T85 PolarHBondContact O-N 2.93Å; E83-A86 PolarHBondContact O-N 2.86Å; E83-L87 VanDerWaalsContact O-CB 3.25Å; E83-L87 WeakPolarHBondContact O-CB 3.42Å; E83-L87 WeakPolarHBondContact O-CG 3.16Å; E83-L87 PolarHBondContact O-N 3.04Å |
| 84 | N | 90.6 | Very high | 91.7 | Very high | 89 Ų | 89 | 89.2 Ų | 89.2 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 178 | -72.2 | -36.4 | 0 | 0 | 0 | 111.4 | K80 D81 N88 | K80-N84 VanDerWaalsContact O-CB 3.32Å; K80-N84 WeakPolarHBondContact O-CB 3.27Å; K80-N84 PolarHBondContact O-N 3.43Å; K80-N84 PolarHBondContact O-ND2 3.05Å; D81-N84 PolarHBondContact O-N 2.91Å; N84-N88 WeakPolarHBondContact O-CB 3.17Å; N84-N88 PolarHBondContact O-N 3.49Å; N84-N88 PolarHBondContact O-ND2 3.33Å |
| 85 | T | 91.9 | Very high | 91.8 | Very high | 100 Ų | 100 | 92.6 Ų | 92.6 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 176.7 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | D81 T82 E83 S89 | D81-T85 WeakPolarHBondContact O-CB 3.28Å; D81-T85 PolarHBondContact O-N 2.8Å; D81-T85 PolarHBondContact O-OG1 2.93Å; D81-T85 VanDerWaalsContact O-OG1 3.06Å; T82-T85 PolarHBondContact O-N 2.91Å; E83-T85 PolarHBondContact O-N 2.93Å; T85-S89 WeakPolarHBondContact O-CB 3.37Å; T85-S89 PolarHBondContact O-N 2.92Å; T85-S89 PolarHBondContact O-OG 3.27Å; T85-S89 VanDerWaalsContact O-OG 3.1Å |
| 86 | A | 90.7 | Very high | 92 | Very high | 52 Ų | 52 | 95.4 Ų | 95.4 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | T82 E83 S89 F90 | T82-A86 VanDerWaalsContact O-CB 3.28Å; T82-A86 WeakPolarHBondContact O-CB 3.21Å; T82-A86 PolarHBondContact O-N 3.06Å; E83-A86 PolarHBondContact O-N 2.86Å; A86-S89 PolarHBondContact O-OG 2.88Å; A86-F90 WeakPolarHBondContact O-CB 3.16Å; A86-F90 PolarHBondContact O-N 3.1Å |
| 87 | L | 90.7 | Very high | 91.9 | Very high | 109 Ų | 109 | 97.6 Ų | 97.6 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -39.2 | 176.9 | -70.4 | 177.5 | 0 | 0 | 0 | 111.7 | E83 S91 | E83-L87 VanDerWaalsContact O-CB 3.25Å; E83-L87 WeakPolarHBondContact O-CB 3.42Å; E83-L87 WeakPolarHBondContact O-CG 3.16Å; E83-L87 PolarHBondContact O-N 3.04Å; L87-S91 WeakPolarHBondContact O-CB 3.23Å; L87-S91 PolarHBondContact O-N 3.48Å |
| 88 | N | 93.1 | Very high | 91.9 | Very high | 111 Ų | 111 | 96 Ų | 96 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.3 | -42.8 | 176.5 | -71.6 | -24.6 | 0 | 0 | 0 | 111.5 | N84 S91 L92 | N84-N88 WeakPolarHBondContact O-CB 3.17Å; N84-N88 PolarHBondContact O-N 3.49Å; N84-N88 PolarHBondContact O-ND2 3.33Å; N88-S91 PolarHBondContact O-N 2.76Å; N88-L92 WeakPolarHBondContact O-CB 3.17Å; N88-L92 PolarHBondContact O-N 2.81Å |
| 89 | S | 93.2 | Very high | 91.9 | Very high | 68 Ų | 68 | 96.8 Ų | 96.8 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.3 | 66.2 | 0 | 0 | 0 | 0 | 111.4 | T85 A86 L92 E93 | T85-S89 WeakPolarHBondContact O-CB 3.37Å; T85-S89 PolarHBondContact O-N 2.92Å; T85-S89 PolarHBondContact O-OG 3.27Å; T85-S89 VanDerWaalsContact O-OG 3.1Å; A86-S89 PolarHBondContact O-OG 2.88Å; S89-L92 PolarHBondContact O-N 3.28Å; S89-E93 VanDerWaalsContact O-CB 3.28Å; S89-E93 WeakPolarHBondContact O-CB 3.28Å; S89-E93 PolarHBondContact O-N 3.47Å |
| 90 | F | 93.6 | Very high | 91.8 | Very high | 130 Ų | 130 | 98 Ų | 98 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -47.1 | 174.5 | 179.6 | -100 | 0 | 0 | 0 | 112.2 | A86 L92 E93 Q94 | A86-F90 WeakPolarHBondContact O-CB 3.16Å; A86-F90 PolarHBondContact O-N 3.1Å; F90-L92 VanDerWaalsContact C-N 3.31Å; F90-L92 PolarHBondContact O-N 2.88Å; F90-E93 PolarHBondContact O-N 2.9Å; F90-Q94 VanDerWaalsContact O-CB 3.23Å; F90-Q94 WeakPolarHBondContact O-CB 3.37Å; F90-Q94 PolarHBondContact O-N 3.28Å |
| 91 | S | 91.9 | Very high | 91.7 | Very high | 65 Ų | 65 | 97 Ų | 97 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | L87 N88 Q95 | L87-S91 WeakPolarHBondContact O-CB 3.23Å; L87-S91 PolarHBondContact O-N 3.48Å; N88-S91 PolarHBondContact O-N 2.76Å; S91-Q95 WeakPolarHBondContact O-CB 3.25Å; S91-Q95 PolarHBondContact O-N 2.95Å |
| 92 | L | 94 | Very high | 91.4 | Very high | 90 Ų | 90 | 96.5 Ų | 96.5 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 175 | 179.9 | 64.9 | 0 | 0 | 0 | 110.9 | N88 S89 F90 Q95 K96 | N88-L92 WeakPolarHBondContact O-CB 3.17Å; N88-L92 PolarHBondContact O-N 2.81Å; S89-L92 PolarHBondContact O-N 3.28Å; F90-L92 VanDerWaalsContact C-N 3.31Å; F90-L92 PolarHBondContact O-N 2.88Å; L92-Q95 PolarHBondContact O-N 3.37Å; L92-K96 WeakPolarHBondContact O-CG 3.33Å; L92-K96 PolarHBondContact O-N 3.44Å |
| 93 | E | 91 | Very high | 91.2 | Very high | 114 Ų | 114 | 94.4 Ų | 94.4 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 178.8 | -164.9 | 59.1 | -152.4 | 0 | 0 | 111.5 | S89 F90 Q95 K96 F97 | S89-E93 VanDerWaalsContact O-CB 3.28Å; S89-E93 WeakPolarHBondContact O-CB 3.28Å; S89-E93 PolarHBondContact O-N 3.47Å; F90-E93 PolarHBondContact O-N 2.9Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 2.91Å; E93-K96 PolarHBondContact O-N 3.48Å; E93-F97 WeakPolarHBondContact O-CB 3.38Å; E93-F97 PolarHBondContact O-N 3.37Å |
| 94 | Q | 92.8 | Very high | 91 | Very high | 98 Ų | 98 | 94.5 Ų | 94.5 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 173 | -174.3 | -178.3 | 0.8 | 0 | 0 | 111 | F90 F97 I98 | F90-Q94 VanDerWaalsContact O-CB 3.23Å; F90-Q94 WeakPolarHBondContact O-CB 3.37Å; F90-Q94 PolarHBondContact O-N 3.28Å; Q94-F97 PolarHBondContact O-N 2.85Å; Q94-I98 HydrophobicContact CG-CD1 3.95Å; Q94-I98 VanDerWaalsContact O-CG1 3.25Å; Q94-I98 WeakPolarHBondContact O-CG1 3.46Å; Q94-I98 PolarHBondContact O-N 2.85Å |
| 95 | Q | 92.8 | Very high | 90.9 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 176.5 | -178.4 | 179 | -14.7 | 0 | 0 | 111.5 | S91 L92 E93 F97 I98 Q99 | S91-Q95 WeakPolarHBondContact O-CB 3.25Å; S91-Q95 PolarHBondContact O-N 2.95Å; L92-Q95 PolarHBondContact O-N 3.37Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 2.91Å; Q95-F97 VanDerWaalsContact C-N 3.34Å; Q95-F97 PolarHBondContact O-N 3.32Å; Q95-I98 PolarHBondContact O-N 2.83Å; Q95-Q99 WeakPolarHBondContact O-CB 3.37Å; Q95-Q99 VanDerWaalsContact O-CG 3.28Å; Q95-Q99 WeakPolarHBondContact O-CG 3.28Å; Q95-Q99 PolarHBondContact O-N 2.77Å |
| 96 | K | 93.6 | Very high | 90.6 | Very high | 105 Ų | 105 | 93.3 Ų | 93.3 | 46% | 0.457 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 175 | -74 | 175.8 | -179.3 | 178.7 | 0 | 111.3 | L92 E93 Q99 Q100 | L92-K96 WeakPolarHBondContact O-CG 3.33Å; L92-K96 PolarHBondContact O-N 3.44Å; E93-K96 PolarHBondContact O-N 3.48Å; K96-Q99 PolarHBondContact O-N 3.06Å; K96-Q100 WeakPolarHBondContact O-CB 3.47Å; K96-Q100 PolarHBondContact O-N 3.49Å |
| 97 | F | 92.3 | Very high | 90.3 | Very high | 124 Ų | 124 | 94.5 Ų | 94.5 | 54% | 0.544 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.3 | -175 | -97.2 | 0 | 0 | 0 | 112.1 | E93 Q94 Q95 Q99 Q100 Q101 | E93-F97 WeakPolarHBondContact O-CB 3.38Å; E93-F97 PolarHBondContact O-N 3.37Å; Q94-F97 PolarHBondContact O-N 2.85Å; Q95-F97 VanDerWaalsContact C-N 3.34Å; Q95-F97 PolarHBondContact O-N 3.32Å; F97-Q99 VanDerWaalsContact C-N 3.35Å; F97-Q99 PolarHBondContact O-N 2.91Å; F97-Q100 PolarHBondContact O-N 2.84Å; F97-Q101 VanDerWaalsContact O-CB 3.3Å; F97-Q101 WeakPolarHBondContact O-CB 3.3Å; F97-Q101 PolarHBondContact O-N 3.4Å |
| 98 | I | 91.2 | Very high | 90.1 | Very high | 90 Ų | 90 | 93.6 Ų | 93.6 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.3 | -69.7 | 165.3 | 0 | 0 | 0 | 110.9 | Q94 Q95 Q101 S102 | Q94-I98 HydrophobicContact CG-CD1 3.95Å; Q94-I98 VanDerWaalsContact O-CG1 3.25Å; Q94-I98 WeakPolarHBondContact O-CG1 3.46Å; Q94-I98 PolarHBondContact O-N 2.85Å; Q95-I98 PolarHBondContact O-N 2.83Å; I98-Q101 PolarHBondContact O-N 3.06Å; I98-S102 WeakPolarHBondContact O-CB 3.47Å; I98-S102 PolarHBondContact O-N 3.48Å; I98-S102 PolarHBondContact O-OG 3.34Å |
| 99 | Q | 90.2 | Very high | 89.8 | Confident | 105 Ų | 105 | 93.5 Ų | 93.5 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 177 | -73.6 | 175.6 | 0.3 | 0 | 0 | 111.3 | Q95 K96 F97 S102 A103 | Q95-Q99 WeakPolarHBondContact O-CB 3.37Å; Q95-Q99 VanDerWaalsContact O-CG 3.28Å; Q95-Q99 WeakPolarHBondContact O-CG 3.28Å; Q95-Q99 PolarHBondContact O-N 2.77Å; K96-Q99 PolarHBondContact O-N 3.06Å; F97-Q99 VanDerWaalsContact C-N 3.35Å; F97-Q99 PolarHBondContact O-N 2.91Å; Q99-S102 PolarHBondContact O-N 2.81Å; Q99-S102 PolarHBondContact O-OG 3.49Å; Q99-A103 WeakPolarHBondContact O-CB 3.27Å; Q99-A103 PolarHBondContact O-N 3.25Å |
| 100 | Q | 90.4 | Very high | 89.6 | Confident | 112 Ų | 112 | 91.4 Ų | 91.4 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 176.8 | 178.7 | 170.6 | -4.3 | 0 | 0 | 111.3 | K96 F97 S102 A103 E104 | K96-Q100 WeakPolarHBondContact O-CB 3.47Å; K96-Q100 PolarHBondContact O-N 3.49Å; F97-Q100 PolarHBondContact O-N 2.84Å; Q100-S102 VanDerWaalsContact C-N 3.28Å; Q100-S102 PolarHBondContact O-N 3.35Å; Q100-A103 PolarHBondContact O-N 3.42Å; Q100-A103 VanDerWaalsContact O-N 3.13Å; Q100-E104 HydrophobicContact CG-CG 4.21Å; Q100-E104 VanDerWaalsContact CG-OE1 3.25Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.36Å; Q100-E104 PolarHBondContact NE2-OE1 3.3Å; Q100-E104 WeakPolarHBondContact O-CB 3.34Å; Q100-E104 WeakPolarHBondContact O-CG 3.5Å; Q100-E104 PolarHBondContact O-N 3.34Å |
| 101 | Q | 88.3 | Confident | 89.6 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 177.3 | -172.1 | 179.9 | 28.9 | 0 | 0 | 111.5 | F97 I98 Q105 | F97-Q101 VanDerWaalsContact O-CB 3.3Å; F97-Q101 WeakPolarHBondContact O-CB 3.3Å; F97-Q101 PolarHBondContact O-N 3.4Å; I98-Q101 PolarHBondContact O-N 3.06Å; Q101-Q105 VanDerWaalsContact O-CB 3.26Å; Q101-Q105 WeakPolarHBondContact O-CB 3.25Å; Q101-Q105 PolarHBondContact O-N 3.07Å |
| 102 | S | 85.7 | Confident | 89.7 | Confident | 57 Ų | 57 | 87 Ų | 87 | 40% | 0.399 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 176.4 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | I98 Q99 Q100 Q105 I106 | I98-S102 WeakPolarHBondContact O-CB 3.47Å; I98-S102 PolarHBondContact O-N 3.48Å; I98-S102 PolarHBondContact O-OG 3.34Å; Q99-S102 PolarHBondContact O-N 2.81Å; Q99-S102 PolarHBondContact O-OG 3.49Å; Q100-S102 VanDerWaalsContact C-N 3.28Å; Q100-S102 PolarHBondContact O-N 3.35Å; S102-Q105 PolarHBondContact O-N 3.13Å; S102-I106 WeakPolarHBondContact O-CD1 3.26Å; S102-I106 VanDerWaalsContact O-CG1 3.27Å; S102-I106 WeakPolarHBondContact O-CG1 3.49Å; S102-I106 PolarHBondContact O-N 3.34Å |
| 103 | A | 86.1 | Confident | 89.7 | Confident | 48 Ų | 48 | 82.8 Ų | 82.8 | 40% | 0.397 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.7 | -45.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q99 Q100 Q105 I106 V107 | Q99-A103 WeakPolarHBondContact O-CB 3.27Å; Q99-A103 PolarHBondContact O-N 3.25Å; Q100-A103 PolarHBondContact O-N 3.42Å; Q100-A103 VanDerWaalsContact O-N 3.13Å; A103-Q105 VanDerWaalsContact C-N 3.29Å; A103-Q105 PolarHBondContact O-N 2.92Å; A103-I106 PolarHBondContact O-N 2.77Å; A103-V107 WeakPolarHBondContact O-CB 3.44Å; A103-V107 VanDerWaalsContact O-CG2 3.28Å; A103-V107 WeakPolarHBondContact O-CG2 3.38Å; A103-V107 PolarHBondContact O-N 3.29Å |
| 104 | E | 88 | Confident | 89.8 | Confident | 109 Ų | 109 | 77.4 Ų | 77.4 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 174.5 | -75 | 176.7 | -173.6 | 0 | 0 | 111.5 | Q100 V107 A108 | Q100-E104 HydrophobicContact CG-CG 4.21Å; Q100-E104 VanDerWaalsContact CG-OE1 3.25Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.36Å; Q100-E104 PolarHBondContact NE2-OE1 3.3Å; Q100-E104 WeakPolarHBondContact O-CB 3.34Å; Q100-E104 WeakPolarHBondContact O-CG 3.5Å; Q100-E104 PolarHBondContact O-N 3.34Å; E104-V107 PolarHBondContact O-N 3.27Å; E104-A108 VanDerWaalsContact O-CB 3.23Å; E104-A108 WeakPolarHBondContact O-CB 3.4Å; E104-A108 PolarHBondContact O-N 3.39Å |
| 105 | Q | 87.3 | Confident | 89.8 | Confident | 117 Ų | 117 | 75.6 Ų | 75.6 | 55% | 0.547 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.7 | -177.6 | 174.3 | -12.2 | 0 | 0 | 112 | Q101 S102 A103 A108 Q109 | Q101-Q105 VanDerWaalsContact O-CB 3.26Å; Q101-Q105 WeakPolarHBondContact O-CB 3.25Å; Q101-Q105 PolarHBondContact O-N 3.07Å; S102-Q105 PolarHBondContact O-N 3.13Å; A103-Q105 VanDerWaalsContact C-N 3.29Å; A103-Q105 PolarHBondContact O-N 2.92Å; Q105-A108 PolarHBondContact O-N 2.71Å; Q105-Q109 WeakPolarHBondContact O-CG 3.22Å; Q105-Q109 PolarHBondContact O-N 2.78Å; Q105-Q109 VanDerWaalsContact O-N 3.17Å |
| 106 | I | 85.1 | Confident | 89.7 | Confident | 47 Ų | 47 | 74.1 Ų | 74.1 | 24% | 0.241 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 175.8 | -67.9 | 164.5 | 0 | 0 | 0 | 110.6 | S102 A103 Q109 S110 L155 P156 F159 | S102-I106 WeakPolarHBondContact O-CD1 3.26Å; S102-I106 VanDerWaalsContact O-CG1 3.27Å; S102-I106 WeakPolarHBondContact O-CG1 3.49Å; S102-I106 PolarHBondContact O-N 3.34Å; A103-I106 PolarHBondContact O-N 2.77Å; I106-Q109 CarbonylContact O-C 3.52Å; I106-Q109 PolarHBondContact O-N 3.21Å; I106-S110 PolarHBondContact O-N 2.87Å; I106-S110 VanDerWaalsContact O-N 3.14Å; I106-L155 HydrophobicContact CD1-CD1 4.37Å; I106-L155 HydrophobicContact CG2-CB 4.11Å; I106-P156 HydrophobicContact CG2-CG 4.19Å; I106-F159 HydrophobicContact CG2-CD2 3.5Å; I106-F159 HydrophobicContact CG2-CE2 3.57Å |
| 107 | V | 84.8 | Confident | 89.6 | Confident | 77 Ų | 77 | 70 Ų | 70 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.7 | -37 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | A103 E104 Q109 S110 F159 | A103-V107 WeakPolarHBondContact O-CB 3.44Å; A103-V107 VanDerWaalsContact O-CG2 3.28Å; A103-V107 WeakPolarHBondContact O-CG2 3.38Å; A103-V107 PolarHBondContact O-N 3.29Å; E104-V107 PolarHBondContact O-N 3.27Å; V107-Q109 PolarHBondContact O-N 3.24Å; V107-S110 WeakPolarHBondContact O-CA 3.46Å; V107-S110 WeakPolarHBondContact O-CB 3.4Å; V107-S110 PolarHBondContact O-N 3.4Å; V107-F159 HydrophobicContact CG2-CD1 4.39Å; V107-F159 HydrophobicContact CG2-CG 4.49Å |
| 108 | A | 86 | Confident | 89.3 | Confident | 90 Ų | 90 | 72.1 Ų | 72.1 | 74% | 0.744 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65 | -25.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E104 Q105 S110 | E104-A108 VanDerWaalsContact O-CB 3.23Å; E104-A108 WeakPolarHBondContact O-CB 3.4Å; E104-A108 PolarHBondContact O-N 3.39Å; Q105-A108 PolarHBondContact O-N 2.71Å; A108-S110 VanDerWaalsContact C-N 3.33Å |
| 109 | Q | 87.2 | Confident | 89.2 | Confident | 110 Ų | 110 | 71.5 Ų | 71.5 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 11 | 172 | -64.4 | -179 | 2.5 | 0 | 0 | 112.6 | Q105 I106 V107 V111 P156 | Q105-Q109 WeakPolarHBondContact O-CG 3.22Å; Q105-Q109 PolarHBondContact O-N 2.78Å; Q105-Q109 VanDerWaalsContact O-N 3.17Å; I106-Q109 CarbonylContact O-C 3.52Å; I106-Q109 PolarHBondContact O-N 3.21Å; V107-Q109 PolarHBondContact O-N 3.24Å; Q109-V111 PolarHBondContact O-N 3.42Å; Q109-P156 HydrophobicContact CB-CB 4.19Å; Q109-P156 VanDerWaalsContact O-CB 3.28Å; Q109-P156 WeakPolarHBondContact O-CB 3.06Å |
| 110 | S | 90.2 | Very high | 89.4 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | trans | -61.8 | 110.4 | 178 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | I106 V107 A108 P156 G160 | I106-S110 PolarHBondContact O-N 2.87Å; I106-S110 VanDerWaalsContact O-N 3.14Å; V107-S110 WeakPolarHBondContact O-CA 3.46Å; V107-S110 WeakPolarHBondContact O-CB 3.4Å; V107-S110 PolarHBondContact O-N 3.4Å; A108-S110 VanDerWaalsContact C-N 3.33Å; S110-P156 WeakPolarHBondContact CA-O 3.43Å; S110-G160 WeakPolarHBondContact OG-CA 3.39Å; S110-G160 PolarHBondContact OG-N 2.89Å | ||
| 111 | V | 93.1 | Very high | 89.5 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | trans | -134.8 | 122.3 | 179.8 | 177.5 | 0 | 0 | 0 | 0 | 108 | Q109 T115 P156 Q157 | Q109-V111 PolarHBondContact O-N 3.42Å; V111-T115 VanDerWaalsContact CG1-CB 3.41Å; V111-T115 HydrophobicContact CG1-CG2 3.63Å; V111-T115 WeakPolarHBondContact CG1-OG1 3.38Å; V111-P156 PolarHBondContact N-O 3.42Å; V111-Q157 VanDerWaalsContact O-CA 3.29Å; V111-Q157 WeakPolarHBondContact O-CA 3.23Å | ||
| 112 | P | 93.8 | Very high | 89.8 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | trans | -56.2 | 148.6 | 178.3 | -24.3 | 32.8 | 0 | 0 | 0 | 112.8 | W114 T115 | P112-W114 HydrophobicContact CB-CD2 3.95Å; P112-W114 HydrophobicContact CB-CG 4.42Å; P112-W114 HydrophobicContact CB-CH2 4.15Å; P112-W114 HydrophobicContact CB-CZ2 3.5Å; P112-W114 VanDerWaalsContact CB-CZ2 3.5Å; P112-W114 HydrophobicContact CG-CZ2 4.24Å; P112-W114 PolarHBondContact O-N 2.69Å; P112-W114 VanDerWaalsContact O-N 3.07Å; P112-T115 WeakPolarHBondContact O-CB 3.41Å; P112-T115 PolarHBondContact O-N 2.73Å; P112-T115 PolarHBondContact O-OG1 2.71Å; P112-T115 VanDerWaalsContact O-OG1 3.11Å | ||
| 113 | P | 93.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.013 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -9.1 | -169.3 | 29.4 | -37.2 | 0 | 0 | 0 | 115.2 | Q157 A161 Y189 F190 V193 R197 | P113-Q157 HydrophobicContact CB-CB 4.3Å; P113-A161 HydrophobicContact CG-CB 4.38Å; P113-Y189 HydrophobicContact CG-CE1 4.32Å; P113-F190 HydrophobicContact CB-CD1 4.33Å; P113-F190 HydrophobicContact CB-CE1 3.92Å; P113-F190 HydrophobicContact CG-CE1 4.25Å; P113-V193 HydrophobicContact CB-CG1 3.94Å; P113-V193 HydrophobicContact CG-CG1 4.18Å; P113-V193 HydrophobicContact CG-CG2 4.45Å; P113-R197 PolarHBondContact O-NH1 3.39Å |
| 114 | W | 94.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -7.4 | 174.7 | 50.5 | 76.5 | 0 | 0 | 0 | 113.5 | P112 G116 C117 V123 K124 C127 L128 A164 | P112-W114 HydrophobicContact CB-CD2 3.95Å; P112-W114 HydrophobicContact CB-CG 4.42Å; P112-W114 HydrophobicContact CB-CH2 4.15Å; P112-W114 HydrophobicContact CB-CZ2 3.5Å; P112-W114 VanDerWaalsContact CB-CZ2 3.5Å; P112-W114 HydrophobicContact CG-CZ2 4.24Å; P112-W114 PolarHBondContact O-N 2.69Å; P112-W114 VanDerWaalsContact O-N 3.07Å; W114-G116 PolarHBondContact O-N 3.12Å; W114-C117 VanDerWaalsContact O-CB 3.28Å; W114-C117 WeakPolarHBondContact O-CB 3.38Å; W114-C117 PolarHBondContact O-N 3.37Å; W114-C117 PolarHBondContact O-SG 3.42Å; W114-V123 HydrophobicContact CB-CB 4.23Å; W114-V123 HydrophobicContact CB-CG1 3.52Å; W114-K124 HydrophobicContact CD2-CB 4.06Å; W114-K124 HydrophobicContact CD2-CG 4.17Å; W114-K124 HydrophobicContact CG-CB 3.95Å; W114-K124 HydrophobicContact CG-CG 4.48Å; W114-K124 HydrophobicContact CZ2-CD 4.33Å; W114-K124 HydrophobicContact CZ2-CG 3.94Å; W114-C127 HydrophobicContact CD2-CB 4.48Å; W114-C127 HydrophobicContact CE3-CB 3.42Å; W114-C127 VanDerWaalsContact CE3-CB 3.42Å; W114-C127 HydrophobicContact CZ3-CB 3.57Å; W114-L128 HydrophobicContact CH2-CD2 4.17Å; W114-A164 HydrophobicContact CH2-CB 3.81Å; W114-A164 HydrophobicContact CZ2-CB 3.63Å |
| 115 | T | 93.1 | Very high | 91.2 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 37% | 0.368 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.8 | 178.2 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | V111 P112 C117 | V111-T115 VanDerWaalsContact CG1-CB 3.41Å; V111-T115 HydrophobicContact CG1-CG2 3.63Å; V111-T115 WeakPolarHBondContact CG1-OG1 3.38Å; P112-T115 WeakPolarHBondContact O-CB 3.41Å; P112-T115 PolarHBondContact O-N 2.73Å; P112-T115 PolarHBondContact O-OG1 2.71Å; P112-T115 VanDerWaalsContact O-OG1 3.11Å; T115-C117 VanDerWaalsContact C-N 3.28Å; T115-C117 PolarHBondContact O-N 3.48Å |
| 116 | G | 90.5 | Very high | 91.6 | Very high | 71 Ų | 71 | 68.5 Ų | 68.5 | 73% | 0.732 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 0.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W114 | W114-G116 PolarHBondContact O-N 3.12Š|
| 117 | C | 90.1 | Very high | 92.1 | Very high | 20 Ų | 20 | 66.2 Ų | 66.2 | 14% | 0.135 | 36% | 0.355 | C | S | . | . | trans | -72.5 | 141.2 | 165.5 | -60.1 | 0 | 0 | 0 | 0 | 109.4 | W114 T115 E120 V123 | W114-C117 VanDerWaalsContact O-CB 3.28Å; W114-C117 WeakPolarHBondContact O-CB 3.38Å; W114-C117 PolarHBondContact O-N 3.37Å; W114-C117 PolarHBondContact O-SG 3.42Å; T115-C117 VanDerWaalsContact C-N 3.28Å; T115-C117 PolarHBondContact O-N 3.48Å; C117-E120 PolarHBondContact O-N 3.24Å; C117-V123 HydrophobicContact CB-CB 4.46Å; C117-V123 HydrophobicContact CB-CG2 4.14Å | ||
| 118 | K | 86.5 | Confident | 92.7 | Very high | 167 Ų | 167 | 65 Ų | 65 | 73% | 0.726 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -44.8 | -179.9 | -67.6 | 172.5 | 178.9 | 176.5 | 0 | 112.6 | E120 E204 | K118-E120 PolarHBondContact O-N 2.93Å; K118-E204 VanDerWaalsContact CD-CD 3.45Å; K118-E204 WeakPolarHBondContact CD-OE1 3.28Å; K118-E204 WeakPolarHBondContact CD-OE2 3.26Å; K118-E204 WeakPolarHBondContact CE-OE1 3.46Å; K118-E204 IonicContact NZ-OE1 2.77Å; K118-E204 PolarHBondContact NZ-OE1 3.19Å; K118-E204 IonicContact NZ-OE2 2.69Å; K118-E204 PolarHBondContact NZ-OE2 3.44Å |
| 119 | D | 89.9 | Confident | 93.2 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 66.6 | 168.5 | -172.4 | -0.1 | 0 | 0 | 0 | 110.3 | Y121 S122 V123 | D119-Y121 PolarHBondContact O-N 3.42Å; D119-S122 PolarHBondContact O-N 3.29Å; D119-S122 WeakPolarHBondContact OD1-CB 3.28Å; D119-S122 PolarHBondContact OD1-N 3.13Å; D119-S122 WeakPolarHBondContact OD2-CB 3.49Å; D119-V123 VanDerWaalsContact O-CG2 3.29Å; D119-V123 WeakPolarHBondContact O-CG2 3.39Å; D119-V123 PolarHBondContact O-N 3.48Å; D119-V123 VanDerWaalsContact O-N 3.14Å |
| 120 | E | 93 | Very high | 93.6 | Very high | 82 Ų | 82 | 59.1 Ų | 59.1 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.6 | -35 | 179.9 | -172.5 | 173.9 | 150.9 | 0 | 0 | 111.9 | C117 K118 K124 | C117-E120 PolarHBondContact O-N 3.24Å; K118-E120 PolarHBondContact O-N 2.93Å; E120-K124 WeakPolarHBondContact O-CB 3.15Å; E120-K124 PolarHBondContact O-N 2.81Å |
| 121 | Y | 93.5 | Very high | 93.8 | Very high | 161 Ų | 161 | 58.3 Ų | 58.3 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.1 | -49.2 | -177.8 | -179.4 | -95.9 | 0 | 0 | 0 | 112.3 | D119 R125 | D119-Y121 PolarHBondContact O-N 3.42Å; Y121-R125 HydrophobicContact CE1-CG 4.18Å; Y121-R125 VanDerWaalsContact O-CG 3.28Å; Y121-R125 WeakPolarHBondContact O-CG 3.38Å; Y121-R125 PolarHBondContact O-N 2.97Å |
| 122 | S | 93.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 58.7 Ų | 58.7 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 178.2 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | D119 K124 R125 Q126 | D119-S122 PolarHBondContact O-N 3.29Å; D119-S122 WeakPolarHBondContact OD1-CB 3.28Å; D119-S122 PolarHBondContact OD1-N 3.13Å; D119-S122 WeakPolarHBondContact OD2-CB 3.49Å; S122-K124 VanDerWaalsContact C-N 3.35Å; S122-K124 PolarHBondContact O-N 3.32Å; S122-R125 PolarHBondContact O-N 2.62Å; S122-Q126 WeakPolarHBondContact O-CG 3.27Å; S122-Q126 PolarHBondContact O-N 3.17Å; S122-Q126 PolarHBondContact OG-NE2 3.46Å |
| 123 | V | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 178.5 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | W114 C117 D119 R125 Q126 C127 I196 R197 A200 | W114-V123 HydrophobicContact CB-CB 4.23Å; W114-V123 HydrophobicContact CB-CG1 3.52Å; C117-V123 HydrophobicContact CB-CB 4.46Å; C117-V123 HydrophobicContact CB-CG2 4.14Å; D119-V123 VanDerWaalsContact O-CG2 3.29Å; D119-V123 WeakPolarHBondContact O-CG2 3.39Å; D119-V123 PolarHBondContact O-N 3.48Å; D119-V123 VanDerWaalsContact O-N 3.14Å; V123-R125 PolarHBondContact O-N 3.25Å; V123-Q126 PolarHBondContact O-N 2.9Å; V123-C127 WeakPolarHBondContact O-CB 3.44Å; V123-C127 PolarHBondContact O-N 3.4Å; V123-C127 PolarHBondContact O-SG 2.76Å; V123-I196 HydrophobicContact CB-CG2 4.39Å; V123-I196 HydrophobicContact CG1-CG2 3.92Å; V123-R197 HydrophobicContact CG1-CG 4.07Å; V123-A200 HydrophobicContact CG2-CB 3.47Å; V123-A200 VanDerWaalsContact CG2-CB 3.47Å |
| 124 | K | 96.5 | Very high | 93.7 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.9 | -48 | 175.8 | 176.9 | 175.1 | -178 | 175.3 | 0 | 111.7 | W114 E120 S122 Q126 C127 L128 | W114-K124 HydrophobicContact CD2-CB 4.06Å; W114-K124 HydrophobicContact CD2-CG 4.17Å; W114-K124 HydrophobicContact CG-CB 3.95Å; W114-K124 HydrophobicContact CG-CG 4.48Å; W114-K124 HydrophobicContact CZ2-CD 4.33Å; W114-K124 HydrophobicContact CZ2-CG 3.94Å; E120-K124 WeakPolarHBondContact O-CB 3.15Å; E120-K124 PolarHBondContact O-N 2.81Å; S122-K124 VanDerWaalsContact C-N 3.35Å; S122-K124 PolarHBondContact O-N 3.32Å; K124-Q126 VanDerWaalsContact C-N 3.3Å; K124-Q126 PolarHBondContact O-N 3.48Å; K124-C127 PolarHBondContact O-N 3.38Å; K124-L128 HydrophobicContact CG-CD1 4.03Å; K124-L128 HydrophobicContact CG-CG 4.36Å; K124-L128 VanDerWaalsContact O-CG 3.3Å; K124-L128 WeakPolarHBondContact O-CG 3.45Å; K124-L128 PolarHBondContact O-N 2.83Å |
| 125 | R | 96.5 | Very high | 93.6 | Very high | 162 Ų | 162 | 68.5 Ų | 68.5 | 61% | 0.611 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.7 | -41 | 179.5 | -75 | -107.9 | -77.8 | -174.5 | -6.5 | 112.1 | Y121 S122 V123 S129 | Y121-R125 HydrophobicContact CE1-CG 4.18Å; Y121-R125 VanDerWaalsContact O-CG 3.28Å; Y121-R125 WeakPolarHBondContact O-CG 3.38Å; Y121-R125 PolarHBondContact O-N 2.97Å; S122-R125 PolarHBondContact O-N 2.62Å; V123-R125 PolarHBondContact O-N 3.25Å; R125-S129 PolarHBondContact O-N 3.27Å |
| 126 | Q | 96.1 | Very high | 93.5 | Very high | 67 Ų | 67 | 68.2 Ų | 68.2 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 176.5 | -67.1 | -177 | 48.5 | 0 | 0 | 112.1 | S122 V123 K124 L128 S129 L130 I196 | S122-Q126 WeakPolarHBondContact O-CG 3.27Å; S122-Q126 PolarHBondContact O-N 3.17Å; S122-Q126 PolarHBondContact OG-NE2 3.46Å; V123-Q126 PolarHBondContact O-N 2.9Å; K124-Q126 VanDerWaalsContact C-N 3.3Å; K124-Q126 PolarHBondContact O-N 3.48Å; Q126-L128 PolarHBondContact O-N 3.03Å; Q126-S129 PolarHBondContact O-N 2.97Å; Q126-S129 PolarHBondContact O-OG 2.88Å; Q126-L130 PolarHBondContact O-N 3.41Å; Q126-I196 HydrophobicContact CB-CD1 3.93Å; Q126-I196 HydrophobicContact CB-CG1 4.21Å; Q126-I196 HydrophobicContact CB-CG2 3.65Å; Q126-I196 HydrophobicContact CG-CG2 4.44Å |
| 127 | C | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 176.2 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | W114 V123 K124 S129 L130 | W114-C127 HydrophobicContact CD2-CB 4.48Å; W114-C127 HydrophobicContact CE3-CB 3.42Å; W114-C127 VanDerWaalsContact CE3-CB 3.42Å; W114-C127 HydrophobicContact CZ3-CB 3.57Å; V123-C127 WeakPolarHBondContact O-CB 3.44Å; V123-C127 PolarHBondContact O-N 3.4Å; V123-C127 PolarHBondContact O-SG 2.76Å; K124-C127 PolarHBondContact O-N 3.38Å; C127-S129 PolarHBondContact O-N 2.86Å; C127-L130 VanDerWaalsContact O-CB 3.26Å; C127-L130 WeakPolarHBondContact O-CB 3.47Å; C127-L130 WeakPolarHBondContact O-CG 3.37Å; C127-L130 PolarHBondContact O-N 3.19Å |
| 128 | L | 96.1 | Very high | 94 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.8 | -22.1 | 174.9 | -67.4 | 177.8 | 0 | 0 | 0 | 113 | W114 K124 Q126 L130 S131 D165 | W114-L128 HydrophobicContact CH2-CD2 4.17Å; K124-L128 HydrophobicContact CG-CD1 4.03Å; K124-L128 HydrophobicContact CG-CG 4.36Å; K124-L128 VanDerWaalsContact O-CG 3.3Å; K124-L128 WeakPolarHBondContact O-CG 3.45Å; K124-L128 PolarHBondContact O-N 2.83Å; Q126-L128 PolarHBondContact O-N 3.03Å; L128-L130 VanDerWaalsContact C-N 3.31Å; L128-S131 PolarHBondContact O-OG 3.23Å; L128-D165 HydrophobicContact CD2-CB 3.56Å |
| 129 | S | 96.4 | Very high | 94.5 | Very high | 65 Ų | 65 | 67 Ų | 67 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.3 | -18.6 | 174.9 | 80.3 | 0 | 0 | 0 | 0 | 112.4 | R125 Q126 C127 S131 S132 | R125-S129 PolarHBondContact O-N 3.27Å; Q126-S129 PolarHBondContact O-N 2.97Å; Q126-S129 PolarHBondContact O-OG 2.88Å; C127-S129 PolarHBondContact O-N 2.86Å; S129-S131 VanDerWaalsContact C-N 3.27Å; S129-S131 PolarHBondContact O-N 2.91Å; S129-S132 WeakPolarHBondContact O-CB 3.15Å; S129-S132 PolarHBondContact O-N 3.09Å |
| 130 | L | 95.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 176.2 | -64.8 | 175.8 | 0 | 0 | 0 | 112 | Q126 C127 L128 S132 Y189 R192 V193 I196 | Q126-L130 PolarHBondContact O-N 3.41Å; C127-L130 VanDerWaalsContact O-CB 3.26Å; C127-L130 WeakPolarHBondContact O-CB 3.47Å; C127-L130 WeakPolarHBondContact O-CG 3.37Å; C127-L130 PolarHBondContact O-N 3.19Å; L128-L130 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 3.14Å; L130-Y189 HydrophobicContact CB-CE2 4.44Å; L130-Y189 HydrophobicContact CD1-CD2 4.3Å; L130-Y189 HydrophobicContact CD1-CE2 4.08Å; L130-R192 HydrophobicContact CD1-CB 3.66Å; L130-R192 HydrophobicContact CD2-CB 3.72Å; L130-R192 HydrophobicContact CD2-CG 4.19Å; L130-R192 HydrophobicContact CG-CB 4.35Å; L130-V193 HydrophobicContact CD1-CG2 3.92Å; L130-I196 HydrophobicContact CD1-CD1 3.83Å; L130-I196 HydrophobicContact CD2-CD1 4.07Å; L130-I196 HydrophobicContact CG-CD1 3.98Å |
| 131 | S | 94.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -3.7 | 178.2 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | L128 S129 D165 L171 | L128-S131 PolarHBondContact O-OG 3.23Å; S129-S131 VanDerWaalsContact C-N 3.27Å; S129-S131 PolarHBondContact O-N 2.91Å; S131-D165 WeakPolarHBondContact CB-OD2 3.1Å; S131-D165 PolarHBondContact OG-OD1 3.15Å; S131-D165 PolarHBondContact OG-OD2 3.38Å; S131-L171 WeakPolarHBondContact O-CD1 3.33Å |
| 132 | S | 93.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.1 | 176.1 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | S129 L130 | S129-S132 WeakPolarHBondContact O-CB 3.15Å; S129-S132 PolarHBondContact O-N 3.09Å; L130-S132 PolarHBondContact O-N 3.14Å |
| 133 | V | 91.6 | Very high | 94.7 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | trans | -130.3 | 114.5 | 179.9 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | D135 N136 | V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 HydrophobicContact CG1-CB 4.22Å; V133-D135 PolarHBondContact O-N 3.45Å; V133-N136 WeakPolarHBondContact O-CB 3.46Å; V133-N136 PolarHBondContact O-N 3.25Å | ||
| 134 | E | 92.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 70.6 Ų | 70.6 | 29% | 0.29 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -42.2 | -177.3 | -168.4 | -173.5 | 143.6 | 0 | 0 | 112.8 | N136 L137 L138 L175 K179 | E134-N136 PolarHBondContact O-N 3.14Å; E134-N136 VanDerWaalsContact O-N 3.09Å; E134-L137 PolarHBondContact O-N 3.05Å; E134-L138 HydrophobicContact CG-CD1 4.15Å; E134-L138 HydrophobicContact CG-CG 4.44Å; E134-L138 PolarHBondContact O-N 3.32Å; E134-L175 VanDerWaalsContact CD-CD2 3.48Å; E134-L175 HydrophobicContact CG-CD1 3.9Å; E134-L175 HydrophobicContact CG-CD2 3.7Å; E134-L175 HydrophobicContact CG-CG 4.37Å; E134-L175 WeakPolarHBondContact OE1-CD2 3.12Å; E134-K179 IonicContact OE1-NZ 3.08Å; E134-K179 PolarHBondContact OE1-NZ 3.04Å; E134-K179 IonicContact OE2-NZ 2.85Å |
| 135 | D | 93.4 | Very high | 94.1 | Very high | 113 Ų | 113 | 68.8 Ų | 68.8 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.1 | -26.8 | -176.6 | -68.3 | -15.8 | 0 | 0 | 0 | 113.5 | V133 L137 L138 R139 | V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 HydrophobicContact CG1-CB 4.22Å; V133-D135 PolarHBondContact O-N 3.45Å; D135-L137 PolarHBondContact O-N 3.39Å; D135-L138 PolarHBondContact O-N 2.85Å; D135-R139 WeakPolarHBondContact O-CB 3.21Å; D135-R139 PolarHBondContact O-N 2.84Å |
| 136 | N | 91.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 68.7 Ų | 68.7 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.4 | -35.8 | 177 | -74.3 | -26.4 | 0 | 0 | 0 | 111.9 | V133 E134 R192 | V133-N136 WeakPolarHBondContact O-CB 3.46Å; V133-N136 PolarHBondContact O-N 3.25Å; E134-N136 PolarHBondContact O-N 3.14Å; E134-N136 VanDerWaalsContact O-N 3.09Å; N136-R192 PolarHBondContact O-NH2 3.36Å |
| 137 | L | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -89.3 | -20.5 | -176.2 | -52.9 | -178.1 | 0 | 0 | 0 | 112.7 | E134 D135 L168 L171 F185 N188 Y189 | E134-L137 PolarHBondContact O-N 3.05Å; D135-L137 PolarHBondContact O-N 3.39Å; L137-L168 HydrophobicContact CD1-CD1 3.86Å; L137-L168 HydrophobicContact CD2-CD1 4.44Å; L137-L171 HydrophobicContact CD1-CB 4.29Å; L137-L171 HydrophobicContact CD1-CD1 3.7Å; L137-F185 HydrophobicContact CB-CD2 4.43Å; L137-F185 HydrophobicContact CB-CE2 4.25Å; L137-F185 HydrophobicContact CD1-CE2 3.61Å; L137-F185 HydrophobicContact CD1-CZ 3.98Å; L137-F185 HydrophobicContact CG-CE2 4.47Å; L137-N188 WeakPolarHBondContact O-CB 3.4Å; L137-N188 PolarHBondContact O-ND2 3.18Å; L137-Y189 HydrophobicContact CD2-CD2 3.73Å; L137-Y189 HydrophobicContact CD2-CG 4.45Å |
| 138 | L | 95.8 | Very high | 93.5 | Very high | 48 Ų | 48 | 72 Ų | 72 | 25% | 0.251 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -85 | -26.1 | 176.9 | -65.5 | -179.7 | 0 | 0 | 0 | 113 | E134 D135 E140 L175 K179 I180 N188 | E134-L138 HydrophobicContact CG-CD1 4.15Å; E134-L138 HydrophobicContact CG-CG 4.44Å; E134-L138 PolarHBondContact O-N 3.32Å; D135-L138 PolarHBondContact O-N 2.85Å; L138-E140 PolarHBondContact O-N 3.36Å; L138-L175 HydrophobicContact CD2-CD1 4.26Å; L138-L175 HydrophobicContact CD2-CD2 4.37Å; L138-K179 HydrophobicContact CD1-CD 4.26Å; L138-K179 HydrophobicContact CD2-CB 4.18Å; L138-K179 HydrophobicContact CD2-CD 4.41Å; L138-I180 HydrophobicContact CD2-CD1 3.89Å; L138-I180 HydrophobicContact CD2-CG1 4.11Å; L138-I180 HydrophobicContact CD2-CG2 3.92Å; L138-N188 PolarHBondContact O-ND2 3.48Å |
| 139 | R | 96.1 | Very high | 93.4 | Very high | 184 Ų | 184 | 70.3 Ų | 70.3 | 69% | 0.694 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -82.7 | 119.3 | -175.4 | 178.8 | 178 | -173.1 | 173.8 | 3.6 | 112.3 | D135 R192 | D135-R139 WeakPolarHBondContact O-CB 3.21Å; D135-R139 PolarHBondContact O-N 2.84Å; R139-R192 VanDerWaalsContact CB-NH2 3.35Å; R139-R192 PolarHBondContact O-NH2 3.13Å |
| 140 | E | 94.8 | Very high | 93.4 | Very high | 128 Ų | 128 | 71.5 Ų | 71.5 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 154 | 179.1 | -62.8 | -175.1 | 162.7 | 0 | 0 | 113.5 | L138 T184 N188 | L138-E140 PolarHBondContact O-N 3.36Å; E140-T184 HydrophobicContact CG-CG2 4.42Å; E140-N188 WeakPolarHBondContact CA-OD1 3.45Å |
| 141 | P | 94.5 | Very high | 93.3 | Very high | 24 Ų | 24 | 73.5 Ų | 73.5 | 16% | 0.156 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 142.3 | 167.2 | -20.8 | 32 | 0 | 0 | 0 | 110.8 | F147 R187 N188 F191 | P141-F147 HydrophobicContact CG-CD1 4.15Å; P141-F147 HydrophobicContact CG-CE1 4.41Å; P141-R187 HydrophobicContact CG-CG 4.29Å; P141-N188 WeakPolarHBondContact CD-OD1 3.26Å; P141-F191 HydrophobicContact CB-CB 4.4Å; P141-F191 HydrophobicContact CB-CD1 3.79Å; P141-F191 HydrophobicContact CB-CD2 3.94Å; P141-F191 HydrophobicContact CB-CE1 3.98Å; P141-F191 HydrophobicContact CB-CE2 4.11Å; P141-F191 HydrophobicContact CB-CG 3.78Å; P141-F191 HydrophobicContact CB-CZ 4.13Å; P141-F191 HydrophobicContact CG-CB 3.73Å; P141-F191 HydrophobicContact CG-CD1 3.85Å; P141-F191 HydrophobicContact CG-CD2 4.18Å; P141-F191 HydrophobicContact CG-CG 3.66Å |
| 142 | P | 94.3 | Very high | 93.2 | Very high | 82 Ų | 82 | 77.2 Ų | 77.2 | 53% | 0.532 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 141.7 | 174.7 | -23.9 | 34 | 0 | 0 | 0 | 112 | G144 C145 | P142-G144 PolarHBondContact O-N 3.2Å; P142-C145 WeakPolarHBondContact O-CB 3.38Å; P142-C145 PolarHBondContact O-N 3.42Å; P142-C145 PolarHBondContact O-SG 3.05Å |
| 143 | A | 91.5 | Very high | 93.2 | Very high | 110 Ų | 110 | 76.6 Ų | 76.6 | 91% | 0.909 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C145 | A143-C145 VanDerWaalsContact C-N 3.31Å; A143-C145 PolarHBondContact O-N 2.98Å |
| 144 | G | 90 | Very high | 93.4 | Very high | 84 Ų | 84 | 76 Ų | 76 | 87% | 0.866 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 11.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P142 | P142-G144 PolarHBondContact O-N 3.2Š|
| 145 | C | 90.3 | Very high | 93.5 | Very high | 48 Ų | 48 | 75 Ų | 75 | 32% | 0.324 | 44% | 0.441 | S | S | . | . | trans | -71.8 | 148.8 | 171.2 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | P142 A143 F147 | P142-C145 WeakPolarHBondContact O-CB 3.38Å; P142-C145 PolarHBondContact O-N 3.42Å; P142-C145 PolarHBondContact O-SG 3.05Å; A143-C145 VanDerWaalsContact C-N 3.31Å; A143-C145 PolarHBondContact O-N 2.98Å; C145-F147 PolarHBondContact O-N 3.38Å | ||
| 146 | D | 89.6 | Confident | 93.6 | Very high | 159 Ų | 159 | 70.7 Ų | 70.7 | 85% | 0.85 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -75.5 | 67.2 | 174.9 | -60.4 | -39.6 | 0 | 0 | 0 | 111 | ||
| 147 | F | 93.3 | Very high | 93.7 | Very high | 31 Ų | 31 | 71 Ų | 71 | 14% | 0.136 | 42% | 0.419 | C | S | . | . | trans | -134.4 | 103.7 | 175.9 | 178.7 | -111.5 | 0 | 0 | 0 | 110.1 | P141 C145 F149 R187 F190 F191 | P141-F147 HydrophobicContact CG-CD1 4.15Å; P141-F147 HydrophobicContact CG-CE1 4.41Å; C145-F147 PolarHBondContact O-N 3.38Å; F147-F149 HydrophobicContact CD1-CB 4.34Å; F147-F149 HydrophobicContact CE1-CB 3.66Å; F147-F149 HydrophobicContact CE1-CD2 4.49Å; F147-F149 HydrophobicContact CE1-CG 4.31Å; F147-F149 HydrophobicContact CZ-CB 3.99Å; F147-F149 HydrophobicContact CZ-CD2 4.21Å; F147-F149 HydrophobicContact CZ-CG 4.45Å; F147-R187 HydrophobicContact CE1-CG 4.1Å; F147-R187 WeakPolarHBondContact CE1-O 3.45Å; F147-F190 HydrophobicContact CZ-CB 4.05Å; F147-F191 HydrophobicContact CB-CD2 3.79Å; F147-F191 HydrophobicContact CB-CE2 4.1Å; F147-F191 HydrophobicContact CD1-CB 3.93Å; F147-F191 AromaticContact CD1-CD2 3.77Å; F147-F191 HydrophobicContact CD1-CD2 3.77Å; F147-F191 HydrophobicContact CD1-CG 4.23Å; F147-F191 AromaticContact CD2-CD2 3.95Å; F147-F191 HydrophobicContact CD2-CD2 3.95Å; F147-F191 HydrophobicContact CE1-CB 3.64Å; F147-F191 HydrophobicContact CE1-CD2 4.33Å; F147-F191 HydrophobicContact CE1-CG 4.42Å; F147-F191 HydrophobicContact CE2-CB 4.3Å; F147-F191 HydrophobicContact CG-CB 4.37Å; F147-F191 AromaticContact CG-CD2 3.55Å; F147-F191 HydrophobicContact CG-CD2 3.55Å; F147-F191 HydrophobicContact CG-CE2 4.36Å; F147-F191 HydrophobicContact CG-CG 4.4Å; F147-F191 HydrophobicContact CZ-CB 3.85Å; F147-F191 VanDerWaalsContact CZ-N 3.33Å | ||
| 148 | S | 92.9 | Very high | 93.8 | Very high | 106 Ų | 106 | 71.1 Ų | 71.1 | 74% | 0.741 | 42% | 0.42 | S | S | * | . | trans | -87 | 133 | 170.5 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 149 | F | 94.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 72.7 Ų | 72.7 | 7% | 0.066 | 43% | 0.425 | C | S | . | . | trans | -135.4 | 124.5 | 178.3 | 175.9 | -102.1 | 0 | 0 | 0 | 110.1 | F147 F151 Y154 E183 W186 R187 F190 | F147-F149 HydrophobicContact CD1-CB 4.34Å; F147-F149 HydrophobicContact CE1-CB 3.66Å; F147-F149 HydrophobicContact CE1-CD2 4.49Å; F147-F149 HydrophobicContact CE1-CG 4.31Å; F147-F149 HydrophobicContact CZ-CB 3.99Å; F147-F149 HydrophobicContact CZ-CD2 4.21Å; F147-F149 HydrophobicContact CZ-CG 4.45Å; F149-F151 HydrophobicContact CE1-CB 4.08Å; F149-F151 HydrophobicContact CZ-CB 4.19Å; F149-F151 HydrophobicContact CZ-CD2 4.09Å; F149-Y154 AromaticContact CD2-CD2 3.95Å; F149-Y154 HydrophobicContact CD2-CD2 3.95Å; F149-Y154 HydrophobicContact CD2-CE2 4.17Å; F149-Y154 HydrophobicContact CD2-CG 4.18Å; F149-Y154 HydrophobicContact CE2-CD1 4.48Å; F149-Y154 HydrophobicContact CE2-CD2 4.07Å; F149-Y154 AromaticContact CE2-CG 3.92Å; F149-Y154 HydrophobicContact CE2-CG 3.92Å; F149-E183 HydrophobicContact CE1-CG 3.92Å; F149-W186 HydrophobicContact CE2-CB 4.28Å; F149-W186 HydrophobicContact CZ-CB 3.68Å; F149-R187 HydrophobicContact CB-CG 4.13Å; F149-R187 HydrophobicContact CD1-CB 3.54Å; F149-R187 HydrophobicContact CD1-CG 3.76Å; F149-R187 HydrophobicContact CE1-CB 3.67Å; F149-R187 HydrophobicContact CE1-CG 4.4Å; F149-R187 HydrophobicContact CG-CB 4.02Å; F149-R187 HydrophobicContact CG-CG 3.98Å; F149-R187 HydrophobicContact CZ-CB 4.27Å; F149-F190 HydrophobicContact CD2-CB 4.44Å; F149-F190 HydrophobicContact CD2-CD2 4.41Å; F149-F190 HydrophobicContact CE2-CB 4.42Å; F149-F190 AromaticContact CE2-CD2 3.62Å; F149-F190 HydrophobicContact CE2-CD2 3.62Å; F149-F190 HydrophobicContact CE2-CE2 4.35Å; F149-F190 HydrophobicContact CE2-CG 4.4Å; F149-F190 HydrophobicContact CZ-CD2 4.44Å | ||
| 150 | D | 95.2 | Very high | 93.7 | Very high | 89 Ų | 89 | 64 Ų | 64 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | trans | -121.9 | 116.1 | 171.3 | 171 | 18.8 | 0 | 0 | 0 | 108.6 | S152 A153 Y154 | D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 3.39Å; D150-S152 PolarHBondContact OD1-N 3.2Å; D150-A153 HydrophobicContact CB-CB 4.16Å; D150-A153 PolarHBondContact O-N 3.09Å; D150-A153 WeakPolarHBondContact OD2-CB 3.22Å; D150-Y154 WeakPolarHBondContact O-CD2 3.48Å; D150-Y154 PolarHBondContact O-N 2.75Å | ||
| 151 | F | 94.6 | Very high | 93.8 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | -174.2 | -178.9 | -128.6 | 0 | 0 | 0 | 112.8 | F149 A153 Y154 L155 E182 E183 W186 | F149-F151 HydrophobicContact CE1-CB 4.08Å; F149-F151 HydrophobicContact CZ-CB 4.19Å; F149-F151 HydrophobicContact CZ-CD2 4.09Å; F151-A153 PolarHBondContact O-N 3.02Å; F151-Y154 PolarHBondContact O-N 3.2Å; F151-L155 HydrophobicContact CD2-CD2 4.42Å; F151-L155 HydrophobicContact CE1-CD2 4.11Å; F151-L155 HydrophobicContact CE2-CD2 3.74Å; F151-L155 HydrophobicContact CZ-CD2 3.58Å; F151-L155 PolarHBondContact O-N 3.33Å; F151-E182 HydrophobicContact CE1-CG 4.37Å; F151-E182 HydrophobicContact CE2-CG 4.2Å; F151-E182 HydrophobicContact CZ-CG 3.65Å; F151-E183 HydrophobicContact CB-CG 4.24Å; F151-W186 HydrophobicContact CD2-CB 4.24Å; F151-W186 HydrophobicContact CD2-CG 4.36Å; F151-W186 HydrophobicContact CE2-CB 4.28Å; F151-W186 AromaticContact CE2-CD1 3.26Å; F151-W186 AromaticContact CE2-CG 3.92Å; F151-W186 HydrophobicContact CE2-CG 3.92Å; F151-W186 AromaticContact CE2-NE1 3.93Å |
| 152 | S | 92.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 58% | 0.58 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | -177 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | D150 Y154 L155 | D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 3.39Å; D150-S152 PolarHBondContact OD1-N 3.2Å; S152-Y154 VanDerWaalsContact C-N 3.27Å; S152-Y154 PolarHBondContact O-N 3.35Å; S152-L155 PolarHBondContact O-N 2.99Å |
| 153 | A | 92.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 61 Ų | 61 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.8 | -27.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D150 F151 | D150-A153 HydrophobicContact CB-CB 4.16Å; D150-A153 PolarHBondContact O-N 3.09Å; D150-A153 WeakPolarHBondContact OD2-CB 3.22Å; F151-A153 PolarHBondContact O-N 3.02Å |
| 154 | Y | 95.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 24% | 0.235 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -91.1 | -6.8 | -178.8 | -82.2 | -97.2 | 0 | 0 | 0 | 114.1 | F149 D150 F151 S152 Q157 A158 F190 | F149-Y154 AromaticContact CD2-CD2 3.95Å; F149-Y154 HydrophobicContact CD2-CD2 3.95Å; F149-Y154 HydrophobicContact CD2-CE2 4.17Å; F149-Y154 HydrophobicContact CD2-CG 4.18Å; F149-Y154 HydrophobicContact CE2-CD1 4.48Å; F149-Y154 HydrophobicContact CE2-CD2 4.07Å; F149-Y154 AromaticContact CE2-CG 3.92Å; F149-Y154 HydrophobicContact CE2-CG 3.92Å; D150-Y154 WeakPolarHBondContact O-CD2 3.48Å; D150-Y154 PolarHBondContact O-N 2.75Å; F151-Y154 PolarHBondContact O-N 3.2Å; S152-Y154 VanDerWaalsContact C-N 3.27Å; S152-Y154 PolarHBondContact O-N 3.35Å; Y154-Q157 PolarHBondContact O-N 3.05Å; Y154-Q157 VanDerWaalsContact O-N 3.09Å; Y154-A158 PolarHBondContact O-N 3.35Å; Y154-F190 HydrophobicContact CD1-CB 4.19Å; Y154-F190 AromaticContact CD1-CD1 3.64Å; Y154-F190 HydrophobicContact CD1-CD1 3.64Å; Y154-F190 AromaticContact CD1-CD2 3.74Å; Y154-F190 HydrophobicContact CD1-CD2 3.74Å; Y154-F190 AromaticContact CD1-CE1 3.87Å; Y154-F190 HydrophobicContact CD1-CE1 3.87Å; Y154-F190 AromaticContact CD1-CE2 3.94Å; Y154-F190 HydrophobicContact CD1-CE2 3.94Å; Y154-F190 AromaticContact CD1-CG 3.57Å; Y154-F190 HydrophobicContact CD1-CG 3.57Å; Y154-F190 HydrophobicContact CD1-CZ 4Å; Y154-F190 HydrophobicContact CE1-CB 4.14Å; Y154-F190 AromaticContact CE1-CD1 3.99Å; Y154-F190 HydrophobicContact CE1-CD1 3.99Å; Y154-F190 AromaticContact CE1-CG 3.97Å; Y154-F190 HydrophobicContact CE1-CG 3.97Å; Y154-F190 HydrophobicContact CG-CD2 4.17Å; Y154-F190 HydrophobicContact CG-CE2 4.26Å; Y154-F190 HydrophobicContact CG-CG 4.42Å |
| 155 | L | 94.7 | Very high | 94.2 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.6 | -47.2 | -179.9 | -77.6 | 177.8 | 0 | 0 | 0 | 114.1 | I106 F151 S152 Q157 A158 F159 | I106-L155 HydrophobicContact CD1-CD1 4.37Å; I106-L155 HydrophobicContact CG2-CB 4.11Å; F151-L155 HydrophobicContact CD2-CD2 4.42Å; F151-L155 HydrophobicContact CE1-CD2 4.11Å; F151-L155 HydrophobicContact CE2-CD2 3.74Å; F151-L155 HydrophobicContact CZ-CD2 3.58Å; F151-L155 PolarHBondContact O-N 3.33Å; S152-L155 PolarHBondContact O-N 2.99Å; L155-Q157 PolarHBondContact O-N 3.44Å; L155-A158 WeakPolarHBondContact O-CB 2.9Å; L155-A158 PolarHBondContact O-N 2.84Å; L155-F159 HydrophobicContact CB-CE2 4.48Å; L155-F159 WeakPolarHBondContact O-CD2 3.45Å; L155-F159 PolarHBondContact O-N 3.14Å |
| 156 | P | 94.7 | Very high | 94.5 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -37.1 | 179.3 | -19.8 | 30.6 | 0 | 0 | 0 | 112.4 | I106 Q109 S110 V111 G160 | I106-P156 HydrophobicContact CG2-CG 4.19Å; Q109-P156 HydrophobicContact CB-CB 4.19Å; Q109-P156 VanDerWaalsContact O-CB 3.28Å; Q109-P156 WeakPolarHBondContact O-CB 3.06Å; S110-P156 WeakPolarHBondContact CA-O 3.43Å; V111-P156 PolarHBondContact N-O 3.42Å; P156-G160 PolarHBondContact O-N 2.94Å; P156-G160 VanDerWaalsContact O-N 3.12Å |
| 157 | Q | 95.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.8 | -33 | 175.2 | -68.2 | 177.5 | 49.9 | 0 | 0 | 112.9 | V111 P113 Y154 L155 G160 A161 F190 | V111-Q157 VanDerWaalsContact O-CA 3.29Å; V111-Q157 WeakPolarHBondContact O-CA 3.23Å; P113-Q157 HydrophobicContact CB-CB 4.3Å; Y154-Q157 PolarHBondContact O-N 3.05Å; Y154-Q157 VanDerWaalsContact O-N 3.09Å; L155-Q157 PolarHBondContact O-N 3.44Å; Q157-G160 PolarHBondContact O-N 3.06Å; Q157-A161 WeakPolarHBondContact O-CB 3.28Å; Q157-A161 PolarHBondContact O-N 3.17Å; Q157-F190 HydrophobicContact CB-CE1 3.82Å; Q157-F190 HydrophobicContact CB-CZ 3.93Å |
| 158 | A | 96.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y154 L155 A161 L162 W186 F190 | Y154-A158 PolarHBondContact O-N 3.35Å; L155-A158 WeakPolarHBondContact O-CB 2.9Å; L155-A158 PolarHBondContact O-N 2.84Å; A158-A161 PolarHBondContact O-N 3.38Å; A158-L162 WeakPolarHBondContact O-CG 2.85Å; A158-L162 PolarHBondContact O-N 2.93Å; A158-W186 HydrophobicContact CB-CD2 3.91Å; A158-W186 HydrophobicContact CB-CE3 3.89Å; A158-W186 HydrophobicContact CB-CH2 3.84Å; A158-W186 HydrophobicContact CB-CZ2 3.83Å; A158-W186 HydrophobicContact CB-CZ3 3.86Å; A158-F190 HydrophobicContact CB-CE2 4.15Å; A158-F190 HydrophobicContact CB-CZ 3.99Å |
| 159 | F | 94.7 | Very high | 95 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 36% | 0.36 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 172.8 | -76.5 | -70.1 | 0 | 0 | 0 | 111.7 | I106 V107 L155 A161 L162 E163 | I106-F159 HydrophobicContact CG2-CD2 3.5Å; I106-F159 HydrophobicContact CG2-CE2 3.57Å; V107-F159 HydrophobicContact CG2-CD1 4.39Å; V107-F159 HydrophobicContact CG2-CG 4.49Å; L155-F159 HydrophobicContact CB-CE2 4.48Å; L155-F159 WeakPolarHBondContact O-CD2 3.45Å; L155-F159 PolarHBondContact O-N 3.14Å; F159-A161 VanDerWaalsContact C-N 3.29Å; F159-A161 PolarHBondContact O-N 3.3Å; F159-L162 PolarHBondContact O-N 3.28Å; F159-E163 PolarHBondContact O-N 2.55Å |
| 160 | G | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | S110 P156 Q157 A164 | S110-G160 WeakPolarHBondContact OG-CA 3.39Å; S110-G160 PolarHBondContact OG-N 2.89Å; P156-G160 PolarHBondContact O-N 2.94Å; P156-G160 VanDerWaalsContact O-N 3.12Å; Q157-G160 PolarHBondContact O-N 3.06Å; G160-A164 WeakPolarHBondContact O-CB 3.37Å; G160-A164 PolarHBondContact O-N 3.17Å |
| 161 | A | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | P113 Q157 A158 F159 A164 D165 L168 W186 Y189 | P113-A161 HydrophobicContact CG-CB 4.38Å; Q157-A161 WeakPolarHBondContact O-CB 3.28Å; Q157-A161 PolarHBondContact O-N 3.17Å; A158-A161 PolarHBondContact O-N 3.38Å; F159-A161 VanDerWaalsContact C-N 3.29Å; F159-A161 PolarHBondContact O-N 3.3Å; A161-A164 PolarHBondContact O-N 3.35Å; A161-D165 WeakPolarHBondContact O-CB 3.5Å; A161-D165 PolarHBondContact O-N 3.12Å; A161-L168 HydrophobicContact CB-CD2 3.96Å; A161-W186 HydrophobicContact CB-CZ3 4.5Å; A161-Y189 HydrophobicContact CB-CE1 3.95Å |
| 162 | L | 95.7 | Very high | 95.2 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 177.8 | -70.3 | 174.1 | 0 | 0 | 0 | 112.4 | A158 F159 A164 D165 L168 Q169 W186 | A158-L162 WeakPolarHBondContact O-CG 2.85Å; A158-L162 PolarHBondContact O-N 2.93Å; F159-L162 PolarHBondContact O-N 3.28Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-D165 CarbonylContact O-C 3.57Å; L162-D165 PolarHBondContact O-N 2.95Å; L162-L168 HydrophobicContact CD2-CD2 4.46Å; L162-L168 HydrophobicContact CD2-CG 4.36Å; L162-Q169 HydrophobicContact CD2-CB 4.03Å; L162-W186 HydrophobicContact CD1-CH2 4.21Å; L162-W186 HydrophobicContact CD1-CZ2 3.95Å; L162-W186 HydrophobicContact CD2-CH2 3.81Å; L162-W186 HydrophobicContact CD2-CZ2 4.05Å; L162-W186 HydrophobicContact CG-CH2 3.73Å; L162-W186 HydrophobicContact CG-CZ2 3.98Å |
| 163 | E | 93.9 | Very high | 95.3 | Very high | 152 Ų | 152 | 60.8 Ų | 60.8 | 71% | 0.71 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65 | -39.4 | 177.6 | -173.7 | 178.5 | -177.7 | 0 | 0 | 111.6 | F159 | F159-E163 PolarHBondContact O-N 2.55Å |
| 164 | A | 94.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.6 | -23.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W114 G160 A161 L162 | W114-A164 HydrophobicContact CH2-CB 3.81Å; W114-A164 HydrophobicContact CZ2-CB 3.63Å; G160-A164 WeakPolarHBondContact O-CB 3.37Å; G160-A164 PolarHBondContact O-N 3.17Å; A161-A164 PolarHBondContact O-N 3.35Å; L162-A164 VanDerWaalsContact C-N 3.33Å |
| 165 | D | 96.2 | Very high | 95.4 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | trans | -130.3 | 91.7 | -175.6 | -167.3 | -10.2 | 0 | 0 | 0 | 113 | L128 S131 A161 L162 K167 L168 Q169 | L128-D165 HydrophobicContact CD2-CB 3.56Å; S131-D165 WeakPolarHBondContact CB-OD2 3.1Å; S131-D165 PolarHBondContact OG-OD1 3.15Å; S131-D165 PolarHBondContact OG-OD2 3.38Å; A161-D165 WeakPolarHBondContact O-CB 3.5Å; A161-D165 PolarHBondContact O-N 3.12Å; L162-D165 CarbonylContact O-C 3.57Å; L162-D165 PolarHBondContact O-N 2.95Å; D165-K167 PolarHBondContact O-N 2.66Å; D165-K167 VanDerWaalsContact O-N 3.16Å; D165-K167 VanDerWaalsContact OD1-CB 3.3Å; D165-K167 WeakPolarHBondContact OD1-CB 3.29Å; D165-K167 PolarHBondContact OD1-N 2.87Å; D165-L168 HydrophobicContact CB-CB 3.79Å; D165-L168 WeakPolarHBondContact O-CB 3.44Å; D165-L168 PolarHBondContact O-N 3.47Å; D165-L168 VanDerWaalsContact O-N 3.09Å; D165-L168 PolarHBondContact OD1-N 3.41Å; D165-Q169 PolarHBondContact O-N 3.43Å | ||
| 166 | P | 95.3 | Very high | 95.5 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -26.7 | 175 | -25.8 | 35 | 0 | 0 | 0 | 114 | Q169 Q170 | P166-Q169 PolarHBondContact O-N 3.32Å; P166-Q170 WeakPolarHBondContact O-CG 3.45Å; P166-Q170 PolarHBondContact O-N 3.07Å; P166-Q170 VanDerWaalsContact O-N 3.13Å |
| 167 | K | 95.5 | Very high | 95.5 | Very high | 118 Ų | 118 | 62 Ų | 62 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72 | -38.1 | 177.9 | -62.6 | 178.6 | 179.8 | 174.4 | 0 | 110.7 | D165 Q169 Q170 L171 | D165-K167 PolarHBondContact O-N 2.66Å; D165-K167 VanDerWaalsContact O-N 3.16Å; D165-K167 VanDerWaalsContact OD1-CB 3.3Å; D165-K167 WeakPolarHBondContact OD1-CB 3.29Å; D165-K167 PolarHBondContact OD1-N 2.87Å; K167-Q169 VanDerWaalsContact C-N 3.27Å; K167-Q169 PolarHBondContact O-N 3.28Å; K167-Q170 PolarHBondContact O-N 3.29Å; K167-L171 PolarHBondContact O-N 3.42Å |
| 168 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 174 | -170.8 | 67.3 | 0 | 0 | 0 | 111 | L137 A161 L162 D165 L171 R172 F185 W186 Y189 | L137-L168 HydrophobicContact CD1-CD1 3.86Å; L137-L168 HydrophobicContact CD2-CD1 4.44Å; A161-L168 HydrophobicContact CB-CD2 3.96Å; L162-L168 HydrophobicContact CD2-CD2 4.46Å; L162-L168 HydrophobicContact CD2-CG 4.36Å; D165-L168 HydrophobicContact CB-CB 3.79Å; D165-L168 WeakPolarHBondContact O-CB 3.44Å; D165-L168 PolarHBondContact O-N 3.47Å; D165-L168 VanDerWaalsContact O-N 3.09Å; D165-L168 PolarHBondContact OD1-N 3.41Å; L168-L171 PolarHBondContact O-N 2.99Å; L168-R172 WeakPolarHBondContact O-CB 3.45Å; L168-R172 PolarHBondContact O-N 3.09Å; L168-F185 HydrophobicContact CD1-CE1 4.36Å; L168-F185 HydrophobicContact CD1-CZ 3.73Å; L168-F185 HydrophobicContact CG-CZ 4.25Å; L168-W186 HydrophobicContact CD2-CH2 4.12Å; L168-W186 HydrophobicContact CD2-CZ3 4.11Å; L168-Y189 HydrophobicContact CD1-CD2 3.77Å; L168-Y189 HydrophobicContact CD1-CE2 3.76Å; L168-Y189 HydrophobicContact CD2-CD2 4.19Å; L168-Y189 HydrophobicContact CD2-CE1 4.29Å; L168-Y189 HydrophobicContact CD2-CE2 3.64Å; L168-Y189 HydrophobicContact CG-CE2 4.37Å |
| 169 | Q | 95.3 | Very high | 95.3 | Very high | 111 Ų | 111 | 72.5 Ų | 72.5 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.7 | -174.9 | 179.3 | -15.6 | 0 | 0 | 112.3 | L162 D165 P166 K167 R172 F173 | L162-Q169 HydrophobicContact CD2-CB 4.03Å; D165-Q169 PolarHBondContact O-N 3.43Å; P166-Q169 PolarHBondContact O-N 3.32Å; K167-Q169 VanDerWaalsContact C-N 3.27Å; K167-Q169 PolarHBondContact O-N 3.28Å; Q169-R172 PolarHBondContact O-N 3.46Å; Q169-F173 PolarHBondContact O-N 2.94Å |
| 170 | Q | 95.6 | Very high | 95.4 | Very high | 135 Ų | 135 | 69.9 Ų | 69.9 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 176.6 | -70.7 | 176.4 | 4 | 0 | 0 | 112.3 | P166 K167 F173 T174 | P166-Q170 WeakPolarHBondContact O-CG 3.45Å; P166-Q170 PolarHBondContact O-N 3.07Å; P166-Q170 VanDerWaalsContact O-N 3.13Å; K167-Q170 PolarHBondContact O-N 3.29Å; Q170-F173 PolarHBondContact O-N 2.86Å; Q170-T174 WeakPolarHBondContact O-CB 3.48Å; Q170-T174 PolarHBondContact O-N 3.09Å; Q170-T174 PolarHBondContact O-OG1 3.42Å |
| 171 | L | 95.5 | Very high | 95.5 | Very high | 30 Ų | 30 | 72.5 Ų | 72.5 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.7 | -76.7 | -177 | 0 | 0 | 0 | 111.3 | S131 L137 K167 L168 F173 T174 L175 | S131-L171 WeakPolarHBondContact O-CD1 3.33Å; L137-L171 HydrophobicContact CD1-CB 4.29Å; L137-L171 HydrophobicContact CD1-CD1 3.7Å; K167-L171 PolarHBondContact O-N 3.42Å; L168-L171 PolarHBondContact O-N 2.99Å; L171-F173 VanDerWaalsContact C-N 3.32Å; L171-F173 PolarHBondContact O-N 3.22Å; L171-T174 CarbonylContact O-C 3.35Å; L171-T174 PolarHBondContact O-N 3.24Å; L171-L175 HydrophobicContact CB-CD1 4.35Å; L171-L175 WeakPolarHBondContact O-CB 3.37Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 3.31Å |
| 172 | R | 96.4 | Very high | 95.5 | Very high | 86 Ų | 86 | 74.6 Ų | 74.6 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.2 | -48.9 | 175.9 | -179.7 | -179.4 | 170.1 | -125.8 | 3.6 | 111.5 | L168 Q169 T174 L175 V176 E182 F185 | L168-R172 WeakPolarHBondContact O-CB 3.45Å; L168-R172 PolarHBondContact O-N 3.09Å; Q169-R172 PolarHBondContact O-N 3.46Å; R172-T174 PolarHBondContact O-N 3.41Å; R172-L175 PolarHBondContact O-N 3.32Å; R172-V176 HydrophobicContact CG-CG2 4.46Å; R172-V176 WeakPolarHBondContact O-CB 3.44Å; R172-V176 PolarHBondContact O-N 2.91Å; R172-E182 IonicContact CZ-OE1 3.97Å; R172-E182 IonicContact CZ-OE2 2.71Å; R172-E182 VanDerWaalsContact NE-CD 3.33Å; R172-E182 IonicContact NE-OE1 2.62Å; R172-E182 PolarHBondContact NE-OE1 2.92Å; R172-E182 IonicContact NE-OE2 2.55Å; R172-E182 PolarHBondContact NE-OE2 2.94Å; R172-E182 VanDerWaalsContact NE-OE2 3.13Å; R172-E182 IonicContact NH2-OE1 3.76Å; R172-E182 PolarHBondContact NH2-OE1 3.11Å; R172-E182 IonicContact NH2-OE2 3.86Å; R172-F185 HydrophobicContact CB-CE1 4.1Å; R172-F185 HydrophobicContact CB-CE2 4.28Å; R172-F185 HydrophobicContact CB-CZ 3.82Å; R172-F185 HydrophobicContact CG-CE1 4.26Å; R172-F185 HydrophobicContact CG-CZ 4.42Å |
| 173 | F | 95.7 | Very high | 95.5 | Very high | 170 Ų | 170 | 78.1 Ų | 78.1 | 75% | 0.746 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.1 | -30.6 | 177.7 | -175.5 | -101.9 | 0 | 0 | 0 | 113.3 | Q169 Q170 L171 | Q169-F173 PolarHBondContact O-N 2.94Å; Q170-F173 PolarHBondContact O-N 2.86Å; L171-F173 VanDerWaalsContact C-N 3.32Å; L171-F173 PolarHBondContact O-N 3.22Å |
| 174 | T | 95 | Very high | 95.7 | Very high | 71 Ų | 71 | 72.4 Ų | 72.4 | 44% | 0.436 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.9 | -35.7 | -179.7 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | Q170 L171 R172 K178 | Q170-T174 WeakPolarHBondContact O-CB 3.48Å; Q170-T174 PolarHBondContact O-N 3.09Å; Q170-T174 PolarHBondContact O-OG1 3.42Å; L171-T174 CarbonylContact O-C 3.35Å; L171-T174 PolarHBondContact O-N 3.24Å; R172-T174 PolarHBondContact O-N 3.41Å; T174-K178 WeakPolarHBondContact O-CD 3.37Å |
| 175 | L | 95.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -94.6 | -28.9 | -173.1 | -58.1 | 177.8 | 0 | 0 | 0 | 113.6 | E134 L138 L171 R172 P177 K178 K179 I180 F185 | E134-L175 VanDerWaalsContact CD-CD2 3.48Å; E134-L175 HydrophobicContact CG-CD1 3.9Å; E134-L175 HydrophobicContact CG-CD2 3.7Å; E134-L175 HydrophobicContact CG-CG 4.37Å; E134-L175 WeakPolarHBondContact OE1-CD2 3.12Å; L138-L175 HydrophobicContact CD2-CD1 4.26Å; L138-L175 HydrophobicContact CD2-CD2 4.37Å; L171-L175 HydrophobicContact CB-CD1 4.35Å; L171-L175 WeakPolarHBondContact O-CB 3.37Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 3.31Å; R172-L175 PolarHBondContact O-N 3.32Å; L175-P177 CarbonylContact O-C 3.59Å; L175-K178 PolarHBondContact O-N 3.22Å; L175-K179 HydrophobicContact CD2-CD 3.85Å; L175-K179 HydrophobicContact CD2-CG 4.47Å; L175-K179 PolarHBondContact O-N 3.13Å; L175-I180 PolarHBondContact O-N 3.07Å; L175-F185 HydrophobicContact CD1-CD2 4.41Å; L175-F185 HydrophobicContact CD1-CE2 4.25Å |
| 176 | V | 96.7 | Very high | 95.9 | Very high | 23 Ų | 23 | 70.4 Ų | 70.4 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 129.7 | -175.6 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | R172 K178 I180 E182 F185 | R172-V176 HydrophobicContact CG-CG2 4.46Å; R172-V176 WeakPolarHBondContact O-CB 3.44Å; R172-V176 PolarHBondContact O-N 2.91Å; V176-K178 VanDerWaalsContact C-N 3.3Å; V176-I180 HydrophobicContact CG2-CG1 4.43Å; V176-E182 HydrophobicContact CG1-CB 4.03Å; V176-E182 WeakPolarHBondContact CG1-OE2 3.42Å; V176-F185 HydrophobicContact CG2-CB 3.81Å; V176-F185 HydrophobicContact CG2-CD2 4.18Å; V176-F185 HydrophobicContact CG2-CG 4.04Å |
| 177 | P | 94.3 | Very high | 96 | Very high | 115 Ų | 115 | 70.2 Ų | 70.2 | 75% | 0.747 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.7 | 10.8 | -5.5 | 35.6 | -36.1 | 0 | 0 | 0 | 113.6 | L175 K179 I180 | L175-P177 CarbonylContact O-C 3.59Å; P177-K179 PolarHBondContact O-N 3.42Å; P177-I180 WeakPolarHBondContact CA-O 3.26Å |
| 178 | K | 94.8 | Very high | 96 | Very high | 159 Ų | 159 | 64.6 Ų | 64.6 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -40.1 | -166.4 | -63.6 | -170.2 | -171.4 | 166.8 | 0 | 114.6 | T174 L175 V176 | T174-K178 WeakPolarHBondContact O-CD 3.37Å; L175-K178 PolarHBondContact O-N 3.22Å; V176-K178 VanDerWaalsContact C-N 3.3Å |
| 179 | K | 94.2 | Very high | 96.1 | Very high | 125 Ų | 125 | 64.6 Ų | 64.6 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -39.4 | -178.2 | -66.3 | -166.5 | -178.3 | 178.1 | 0 | 112.2 | E134 L138 L175 P177 | E134-K179 IonicContact OE1-NZ 3.08Å; E134-K179 PolarHBondContact OE1-NZ 3.04Å; E134-K179 IonicContact OE2-NZ 2.85Å; L138-K179 HydrophobicContact CD1-CD 4.26Å; L138-K179 HydrophobicContact CD2-CB 4.18Å; L138-K179 HydrophobicContact CD2-CD 4.41Å; L175-K179 HydrophobicContact CD2-CD 3.85Å; L175-K179 HydrophobicContact CD2-CG 4.47Å; L175-K179 PolarHBondContact O-N 3.13Å; P177-K179 PolarHBondContact O-N 3.42Å |
| 180 | I | 96.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.138 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -142.5 | 159.3 | -178.1 | 57.9 | 172.3 | 0 | 0 | 0 | 111.2 | L138 L175 V176 P177 T184 F185 | L138-I180 HydrophobicContact CD2-CD1 3.89Å; L138-I180 HydrophobicContact CD2-CG1 4.11Å; L138-I180 HydrophobicContact CD2-CG2 3.92Å; L175-I180 PolarHBondContact O-N 3.07Å; V176-I180 HydrophobicContact CG2-CG1 4.43Å; P177-I180 WeakPolarHBondContact CA-O 3.26Å; I180-T184 HydrophobicContact CB-CG2 4.33Å; I180-T184 HydrophobicContact CG2-CG2 4.43Å; I180-F185 HydrophobicContact CD1-CB 3.66Å; I180-F185 HydrophobicContact CD1-CD2 4.08Å; I180-F185 HydrophobicContact CD1-CG 4.37Å; I180-F185 HydrophobicContact CG1-CB 4.2Å |
| 181 | S | 97.1 | Very high | 96.3 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | trans | -71.8 | 159.9 | 174.5 | 81.2 | 0 | 0 | 0 | 0 | 111.6 | E183 T184 F185 | S181-E183 VanDerWaalsContact C-N 3.3Å; S181-E183 PolarHBondContact O-N 3.25Å; S181-T184 PolarHBondContact O-N 3.19Å; S181-T184 WeakPolarHBondContact OG-CB 3.44Å; S181-T184 PolarHBondContact OG-N 3.11Å; S181-T184 PolarHBondContact OG-OG1 3.5Å; S181-F185 WeakPolarHBondContact O-CB 3.46Å; S181-F185 PolarHBondContact O-N 2.92Å | ||
| 182 | E | 96.5 | Very high | 96.3 | Very high | 44 Ų | 44 | 54 Ų | 54 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.3 | -45.4 | 174.1 | -173.5 | 70.3 | -172.2 | 0 | 0 | 111.1 | F151 R172 V176 T184 F185 W186 | F151-E182 HydrophobicContact CE1-CG 4.37Å; F151-E182 HydrophobicContact CE2-CG 4.2Å; F151-E182 HydrophobicContact CZ-CG 3.65Å; R172-E182 IonicContact CZ-OE1 3.97Å; R172-E182 IonicContact CZ-OE2 2.71Å; R172-E182 VanDerWaalsContact NE-CD 3.33Å; R172-E182 IonicContact NE-OE1 2.62Å; R172-E182 PolarHBondContact NE-OE1 2.92Å; R172-E182 IonicContact NE-OE2 2.55Å; R172-E182 PolarHBondContact NE-OE2 2.94Å; R172-E182 VanDerWaalsContact NE-OE2 3.13Å; R172-E182 IonicContact NH2-OE1 3.76Å; R172-E182 PolarHBondContact NH2-OE1 3.11Å; R172-E182 IonicContact NH2-OE2 3.86Å; V176-E182 HydrophobicContact CG1-CB 4.03Å; V176-E182 WeakPolarHBondContact CG1-OE2 3.42Å; E182-T184 PolarHBondContact O-N 3.06Å; E182-F185 PolarHBondContact O-N 3.43Å; E182-W186 PolarHBondContact O-N 3.05Å; E182-W186 VanDerWaalsContact O-N 3.12Å; E182-W186 PolarHBondContact OE1-NE1 3.38Å |
| 183 | E | 96 | Very high | 96.3 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 178.6 | -171.8 | -173.4 | 156 | 0 | 0 | 111.6 | F149 F151 S181 W186 R187 | F149-E183 HydrophobicContact CE1-CG 3.92Å; F151-E183 HydrophobicContact CB-CG 4.24Å; S181-E183 VanDerWaalsContact C-N 3.3Å; S181-E183 PolarHBondContact O-N 3.25Å; E183-W186 PolarHBondContact O-N 3Å; E183-R187 VanDerWaalsContact O-CB 3.26Å; E183-R187 WeakPolarHBondContact O-CB 3.4Å; E183-R187 PolarHBondContact O-N 3.25Å; E183-R187 IonicContact OE1-CZ 3.52Å; E183-R187 IonicContact OE1-NH2 3.13Å; E183-R187 PolarHBondContact OE1-NH2 3.45Å |
| 184 | T | 96.3 | Very high | 96.3 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 179.1 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | E140 I180 S181 E182 W186 R187 N188 | E140-T184 HydrophobicContact CG-CG2 4.42Å; I180-T184 HydrophobicContact CB-CG2 4.33Å; I180-T184 HydrophobicContact CG2-CG2 4.43Å; S181-T184 PolarHBondContact O-N 3.19Å; S181-T184 WeakPolarHBondContact OG-CB 3.44Å; S181-T184 PolarHBondContact OG-N 3.11Å; S181-T184 PolarHBondContact OG-OG1 3.5Å; E182-T184 PolarHBondContact O-N 3.06Å; T184-W186 PolarHBondContact O-N 2.96Å; T184-R187 PolarHBondContact O-N 3.03Å; T184-N188 WeakPolarHBondContact O-CB 3.37Å; T184-N188 PolarHBondContact O-N 3.37Å; T184-N188 PolarHBondContact O-ND2 3.18Å; T184-N188 PolarHBondContact O-OD1 2.58Å |
| 185 | F | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56 | -50.4 | 177.1 | 174.2 | -88.9 | 0 | 0 | 0 | 111.2 | L137 L168 R172 L175 V176 I180 S181 E182 N188 Y189 | L137-F185 HydrophobicContact CB-CD2 4.43Å; L137-F185 HydrophobicContact CB-CE2 4.25Å; L137-F185 HydrophobicContact CD1-CE2 3.61Å; L137-F185 HydrophobicContact CD1-CZ 3.98Å; L137-F185 HydrophobicContact CG-CE2 4.47Å; L168-F185 HydrophobicContact CD1-CE1 4.36Å; L168-F185 HydrophobicContact CD1-CZ 3.73Å; L168-F185 HydrophobicContact CG-CZ 4.25Å; R172-F185 HydrophobicContact CB-CE1 4.1Å; R172-F185 HydrophobicContact CB-CE2 4.28Å; R172-F185 HydrophobicContact CB-CZ 3.82Å; R172-F185 HydrophobicContact CG-CE1 4.26Å; R172-F185 HydrophobicContact CG-CZ 4.42Å; L175-F185 HydrophobicContact CD1-CD2 4.41Å; L175-F185 HydrophobicContact CD1-CE2 4.25Å; V176-F185 HydrophobicContact CG2-CB 3.81Å; V176-F185 HydrophobicContact CG2-CD2 4.18Å; V176-F185 HydrophobicContact CG2-CG 4.04Å; I180-F185 HydrophobicContact CD1-CB 3.66Å; I180-F185 HydrophobicContact CD1-CD2 4.08Å; I180-F185 HydrophobicContact CD1-CG 4.37Å; I180-F185 HydrophobicContact CG1-CB 4.2Å; S181-F185 WeakPolarHBondContact O-CB 3.46Å; S181-F185 PolarHBondContact O-N 2.92Å; E182-F185 PolarHBondContact O-N 3.43Å; F185-N188 PolarHBondContact O-N 3.02Å; F185-Y189 WeakPolarHBondContact O-CB 3.47Å; F185-Y189 PolarHBondContact O-N 3.04Å |
| 186 | W | 97.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.2 | -40.6 | -179.6 | -71.6 | 114.5 | 0 | 0 | 0 | 112.8 | F149 F151 A158 A161 L162 L168 E182 E183 T184 N188 Y189 F190 | F149-W186 HydrophobicContact CE2-CB 4.28Å; F149-W186 HydrophobicContact CZ-CB 3.68Å; F151-W186 HydrophobicContact CD2-CB 4.24Å; F151-W186 HydrophobicContact CD2-CG 4.36Å; F151-W186 HydrophobicContact CE2-CB 4.28Å; F151-W186 AromaticContact CE2-CD1 3.26Å; F151-W186 AromaticContact CE2-CG 3.92Å; F151-W186 HydrophobicContact CE2-CG 3.92Å; F151-W186 AromaticContact CE2-NE1 3.93Å; A158-W186 HydrophobicContact CB-CD2 3.91Å; A158-W186 HydrophobicContact CB-CE3 3.89Å; A158-W186 HydrophobicContact CB-CH2 3.84Å; A158-W186 HydrophobicContact CB-CZ2 3.83Å; A158-W186 HydrophobicContact CB-CZ3 3.86Å; A161-W186 HydrophobicContact CB-CZ3 4.5Å; L162-W186 HydrophobicContact CD1-CH2 4.21Å; L162-W186 HydrophobicContact CD1-CZ2 3.95Å; L162-W186 HydrophobicContact CD2-CH2 3.81Å; L162-W186 HydrophobicContact CD2-CZ2 4.05Å; L162-W186 HydrophobicContact CG-CH2 3.73Å; L162-W186 HydrophobicContact CG-CZ2 3.98Å; L168-W186 HydrophobicContact CD2-CH2 4.12Å; L168-W186 HydrophobicContact CD2-CZ3 4.11Å; E182-W186 PolarHBondContact O-N 3.05Å; E182-W186 VanDerWaalsContact O-N 3.12Å; E182-W186 PolarHBondContact OE1-NE1 3.38Å; E183-W186 PolarHBondContact O-N 3Å; T184-W186 PolarHBondContact O-N 2.96Å; W186-N188 VanDerWaalsContact C-N 3.26Å; W186-N188 PolarHBondContact O-N 2.95Å; W186-Y189 AromaticContact CE3-CD1 3.9Å; W186-Y189 HydrophobicContact CE3-CD1 3.9Å; W186-Y189 HydrophobicContact CE3-CG 4.31Å; W186-Y189 AromaticContact CZ3-CD1 3.83Å; W186-Y189 HydrophobicContact CZ3-CD1 3.83Å; W186-Y189 HydrophobicContact CZ3-CE1 4.2Å; W186-Y189 HydrophobicContact CZ3-CG 4.3Å; W186-Y189 PolarHBondContact O-N 3.42Å; W186-F190 HydrophobicContact CB-CD2 4.09Å; W186-F190 HydrophobicContact CB-CE2 4.09Å; W186-F190 HydrophobicContact CD2-CE2 4.13Å; W186-F190 HydrophobicContact CE3-CD2 4.18Å; W186-F190 AromaticContact CE3-CE2 3.52Å; W186-F190 HydrophobicContact CE3-CE2 3.52Å; W186-F190 HydrophobicContact CE3-CZ 4.02Å; W186-F190 HydrophobicContact CG-CE2 4.39Å; W186-F190 HydrophobicContact CZ3-CE2 4.32Å; W186-F190 HydrophobicContact CZ3-CZ 4.39Å; W186-F190 WeakPolarHBondContact O-CB 3.34Å; W186-F190 WeakPolarHBondContact O-CD2 3.14Å; W186-F190 PolarHBondContact O-N 3.16Å |
| 187 | R | 97.2 | Very high | 96.3 | Very high | 78 Ų | 78 | 47.2 Ų | 47.2 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53.9 | -46.2 | 174 | -174.7 | -179 | -68.2 | -89.8 | -0.9 | 111 | P141 F147 F149 E183 T184 F191 | P141-R187 HydrophobicContact CG-CG 4.29Å; F147-R187 HydrophobicContact CE1-CG 4.1Å; F147-R187 WeakPolarHBondContact CE1-O 3.45Å; F149-R187 HydrophobicContact CB-CG 4.13Å; F149-R187 HydrophobicContact CD1-CB 3.54Å; F149-R187 HydrophobicContact CD1-CG 3.76Å; F149-R187 HydrophobicContact CE1-CB 3.67Å; F149-R187 HydrophobicContact CE1-CG 4.4Å; F149-R187 HydrophobicContact CG-CB 4.02Å; F149-R187 HydrophobicContact CG-CG 3.98Å; F149-R187 HydrophobicContact CZ-CB 4.27Å; E183-R187 VanDerWaalsContact O-CB 3.26Å; E183-R187 WeakPolarHBondContact O-CB 3.4Å; E183-R187 PolarHBondContact O-N 3.25Å; E183-R187 IonicContact OE1-CZ 3.52Å; E183-R187 IonicContact OE1-NH2 3.13Å; E183-R187 PolarHBondContact OE1-NH2 3.45Å; T184-R187 PolarHBondContact O-N 3.03Å; R187-F191 VanDerWaalsContact O-CB 3.27Å; R187-F191 WeakPolarHBondContact O-CB 3.3Å; R187-F191 PolarHBondContact O-N 3.33Å |
| 188 | N | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -47 | 179.6 | -64.7 | -5.7 | 0 | 0 | 0 | 111.6 | L137 L138 E140 P141 T184 F185 W186 F191 R192 | L137-N188 WeakPolarHBondContact O-CB 3.4Å; L137-N188 PolarHBondContact O-ND2 3.18Å; L138-N188 PolarHBondContact O-ND2 3.48Å; E140-N188 WeakPolarHBondContact CA-OD1 3.45Å; P141-N188 WeakPolarHBondContact CD-OD1 3.26Å; T184-N188 WeakPolarHBondContact O-CB 3.37Å; T184-N188 PolarHBondContact O-N 3.37Å; T184-N188 PolarHBondContact O-ND2 3.18Å; T184-N188 PolarHBondContact O-OD1 2.58Å; F185-N188 PolarHBondContact O-N 3.02Å; W186-N188 VanDerWaalsContact C-N 3.26Å; W186-N188 PolarHBondContact O-N 2.95Å; N188-F191 PolarHBondContact O-N 3.46Å; N188-R192 WeakPolarHBondContact O-CG 3.46Å; N188-R192 PolarHBondContact O-N 3.49Å |
| 189 | Y | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -55.2 | 177.5 | 177.8 | -98.8 | 0 | 0 | 0 | 111.8 | P113 L130 L137 A161 L168 F185 W186 F191 R192 V193 | P113-Y189 HydrophobicContact CG-CE1 4.32Å; L130-Y189 HydrophobicContact CB-CE2 4.44Å; L130-Y189 HydrophobicContact CD1-CD2 4.3Å; L130-Y189 HydrophobicContact CD1-CE2 4.08Å; L137-Y189 HydrophobicContact CD2-CD2 3.73Å; L137-Y189 HydrophobicContact CD2-CG 4.45Å; A161-Y189 HydrophobicContact CB-CE1 3.95Å; L168-Y189 HydrophobicContact CD1-CD2 3.77Å; L168-Y189 HydrophobicContact CD1-CE2 3.76Å; L168-Y189 HydrophobicContact CD2-CD2 4.19Å; L168-Y189 HydrophobicContact CD2-CE1 4.29Å; L168-Y189 HydrophobicContact CD2-CE2 3.64Å; L168-Y189 HydrophobicContact CG-CE2 4.37Å; F185-Y189 WeakPolarHBondContact O-CB 3.47Å; F185-Y189 PolarHBondContact O-N 3.04Å; W186-Y189 AromaticContact CE3-CD1 3.9Å; W186-Y189 HydrophobicContact CE3-CD1 3.9Å; W186-Y189 HydrophobicContact CE3-CG 4.31Å; W186-Y189 AromaticContact CZ3-CD1 3.83Å; W186-Y189 HydrophobicContact CZ3-CD1 3.83Å; W186-Y189 HydrophobicContact CZ3-CE1 4.2Å; W186-Y189 HydrophobicContact CZ3-CG 4.3Å; W186-Y189 PolarHBondContact O-N 3.42Å; Y189-F191 VanDerWaalsContact C-N 3.27Å; Y189-F191 PolarHBondContact O-N 3.25Å; Y189-R192 WeakPolarHBondContact O-CB 3.36Å; Y189-R192 PolarHBondContact O-N 3.15Å; Y189-V193 HydrophobicContact CD1-CG2 4.09Å; Y189-V193 HydrophobicContact CE1-CG2 3.68Å; Y189-V193 HydrophobicContact CE2-CG2 4.36Å; Y189-V193 WeakPolarHBondContact O-CG2 3.36Å; Y189-V193 PolarHBondContact O-N 3.36Å |
| 190 | F | 97.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.4 | -28.3 | -177.4 | -73.7 | -63 | 0 | 0 | 0 | 113.1 | P113 F147 F149 Y154 Q157 A158 W186 V193 S194 | P113-F190 HydrophobicContact CB-CD1 4.33Å; P113-F190 HydrophobicContact CB-CE1 3.92Å; P113-F190 HydrophobicContact CG-CE1 4.25Å; F147-F190 HydrophobicContact CZ-CB 4.05Å; F149-F190 HydrophobicContact CD2-CB 4.44Å; F149-F190 HydrophobicContact CD2-CD2 4.41Å; F149-F190 HydrophobicContact CE2-CB 4.42Å; F149-F190 AromaticContact CE2-CD2 3.62Å; F149-F190 HydrophobicContact CE2-CD2 3.62Å; F149-F190 HydrophobicContact CE2-CE2 4.35Å; F149-F190 HydrophobicContact CE2-CG 4.4Å; F149-F190 HydrophobicContact CZ-CD2 4.44Å; Y154-F190 HydrophobicContact CD1-CB 4.19Å; Y154-F190 AromaticContact CD1-CD1 3.64Å; Y154-F190 HydrophobicContact CD1-CD1 3.64Å; Y154-F190 AromaticContact CD1-CD2 3.74Å; Y154-F190 HydrophobicContact CD1-CD2 3.74Å; Y154-F190 AromaticContact CD1-CE1 3.87Å; Y154-F190 HydrophobicContact CD1-CE1 3.87Å; Y154-F190 AromaticContact CD1-CE2 3.94Å; Y154-F190 HydrophobicContact CD1-CE2 3.94Å; Y154-F190 AromaticContact CD1-CG 3.57Å; Y154-F190 HydrophobicContact CD1-CG 3.57Å; Y154-F190 HydrophobicContact CD1-CZ 4Å; Y154-F190 HydrophobicContact CE1-CB 4.14Å; Y154-F190 AromaticContact CE1-CD1 3.99Å; Y154-F190 HydrophobicContact CE1-CD1 3.99Å; Y154-F190 AromaticContact CE1-CG 3.97Å; Y154-F190 HydrophobicContact CE1-CG 3.97Å; Y154-F190 HydrophobicContact CG-CD2 4.17Å; Y154-F190 HydrophobicContact CG-CE2 4.26Å; Y154-F190 HydrophobicContact CG-CG 4.42Å; Q157-F190 HydrophobicContact CB-CE1 3.82Å; Q157-F190 HydrophobicContact CB-CZ 3.93Å; A158-F190 HydrophobicContact CB-CE2 4.15Å; A158-F190 HydrophobicContact CB-CZ 3.99Å; W186-F190 HydrophobicContact CB-CD2 4.09Å; W186-F190 HydrophobicContact CB-CE2 4.09Å; W186-F190 HydrophobicContact CD2-CE2 4.13Å; W186-F190 HydrophobicContact CE3-CD2 4.18Å; W186-F190 AromaticContact CE3-CE2 3.52Å; W186-F190 HydrophobicContact CE3-CE2 3.52Å; W186-F190 HydrophobicContact CE3-CZ 4.02Å; W186-F190 HydrophobicContact CG-CE2 4.39Å; W186-F190 HydrophobicContact CZ3-CE2 4.32Å; W186-F190 HydrophobicContact CZ3-CZ 4.39Å; W186-F190 WeakPolarHBondContact O-CB 3.34Å; W186-F190 WeakPolarHBondContact O-CD2 3.14Å; W186-F190 PolarHBondContact O-N 3.16Å; F190-V193 PolarHBondContact O-N 2.97Å; F190-S194 WeakPolarHBondContact O-CB 3.28Å; F190-S194 PolarHBondContact O-N 3.19Å |
| 191 | F | 97.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 170.1 | 177.4 | -115.7 | 0 | 0 | 0 | 111.1 | P141 F147 R187 N188 Y189 V193 S194 L195 | P141-F191 HydrophobicContact CB-CB 4.4Å; P141-F191 HydrophobicContact CB-CD1 3.79Å; P141-F191 HydrophobicContact CB-CD2 3.94Å; P141-F191 HydrophobicContact CB-CE1 3.98Å; P141-F191 HydrophobicContact CB-CE2 4.11Å; P141-F191 HydrophobicContact CB-CG 3.78Å; P141-F191 HydrophobicContact CB-CZ 4.13Å; P141-F191 HydrophobicContact CG-CB 3.73Å; P141-F191 HydrophobicContact CG-CD1 3.85Å; P141-F191 HydrophobicContact CG-CD2 4.18Å; P141-F191 HydrophobicContact CG-CG 3.66Å; F147-F191 HydrophobicContact CB-CD2 3.79Å; F147-F191 HydrophobicContact CB-CE2 4.1Å; F147-F191 HydrophobicContact CD1-CB 3.93Å; F147-F191 AromaticContact CD1-CD2 3.77Å; F147-F191 HydrophobicContact CD1-CD2 3.77Å; F147-F191 HydrophobicContact CD1-CG 4.23Å; F147-F191 AromaticContact CD2-CD2 3.95Å; F147-F191 HydrophobicContact CD2-CD2 3.95Å; F147-F191 HydrophobicContact CE1-CB 3.64Å; F147-F191 HydrophobicContact CE1-CD2 4.33Å; F147-F191 HydrophobicContact CE1-CG 4.42Å; F147-F191 HydrophobicContact CE2-CB 4.3Å; F147-F191 HydrophobicContact CG-CB 4.37Å; F147-F191 AromaticContact CG-CD2 3.55Å; F147-F191 HydrophobicContact CG-CD2 3.55Å; F147-F191 HydrophobicContact CG-CE2 4.36Å; F147-F191 HydrophobicContact CG-CG 4.4Å; F147-F191 HydrophobicContact CZ-CB 3.85Å; F147-F191 VanDerWaalsContact CZ-N 3.33Å; R187-F191 VanDerWaalsContact O-CB 3.27Å; R187-F191 WeakPolarHBondContact O-CB 3.3Å; R187-F191 PolarHBondContact O-N 3.33Å; N188-F191 PolarHBondContact O-N 3.46Å; Y189-F191 VanDerWaalsContact C-N 3.27Å; Y189-F191 PolarHBondContact O-N 3.25Å; F191-V193 PolarHBondContact O-N 3.01Å; F191-S194 WeakPolarHBondContact O-CB 3.3Å; F191-S194 PolarHBondContact O-N 2.86Å; F191-S194 VanDerWaalsContact O-N 3.15Å; F191-S194 PolarHBondContact O-OG 2.87Å; F191-L195 HydrophobicContact CD1-CD1 4.36Å; F191-L195 HydrophobicContact CE1-CD1 3.82Å; F191-L195 HydrophobicContact CE1-CG 4.43Å; F191-L195 HydrophobicContact CE2-CD2 4.31Å; F191-L195 HydrophobicContact CE2-CG 4.47Å; F191-L195 HydrophobicContact CZ-CD1 3.99Å; F191-L195 HydrophobicContact CZ-CD2 4.19Å; F191-L195 HydrophobicContact CZ-CG 4.26Å; F191-L195 WeakPolarHBondContact O-CG 3.34Å; F191-L195 PolarHBondContact O-N 3.32Å; F191-L195 VanDerWaalsContact O-N 3.09Å |
| 192 | R | 96.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.9 | -62.7 | -63.3 | -175.8 | -95.6 | -26.5 | 112.2 | L130 N136 R139 N188 Y189 S194 L195 I196 | L130-R192 HydrophobicContact CD1-CB 3.66Å; L130-R192 HydrophobicContact CD2-CB 3.72Å; L130-R192 HydrophobicContact CD2-CG 4.19Å; L130-R192 HydrophobicContact CG-CB 4.35Å; N136-R192 PolarHBondContact O-NH2 3.36Å; R139-R192 VanDerWaalsContact CB-NH2 3.35Å; R139-R192 PolarHBondContact O-NH2 3.13Å; N188-R192 WeakPolarHBondContact O-CG 3.46Å; N188-R192 PolarHBondContact O-N 3.49Å; Y189-R192 WeakPolarHBondContact O-CB 3.36Å; Y189-R192 PolarHBondContact O-N 3.15Å; R192-S194 VanDerWaalsContact C-N 3.27Å; R192-S194 PolarHBondContact O-N 3.42Å; R192-L195 WeakPolarHBondContact O-CB 3.29Å; R192-L195 PolarHBondContact O-N 3.25Å; R192-L195 VanDerWaalsContact O-N 3.11Å; R192-I196 WeakPolarHBondContact O-CG1 3.43Å; R192-I196 PolarHBondContact O-N 3.19Å |
| 193 | V | 96.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | P113 L130 Y189 F190 F191 L195 I196 R197 | P113-V193 HydrophobicContact CB-CG1 3.94Å; P113-V193 HydrophobicContact CG-CG1 4.18Å; P113-V193 HydrophobicContact CG-CG2 4.45Å; L130-V193 HydrophobicContact CD1-CG2 3.92Å; Y189-V193 HydrophobicContact CD1-CG2 4.09Å; Y189-V193 HydrophobicContact CE1-CG2 3.68Å; Y189-V193 HydrophobicContact CE2-CG2 4.36Å; Y189-V193 WeakPolarHBondContact O-CG2 3.36Å; Y189-V193 PolarHBondContact O-N 3.36Å; F190-V193 PolarHBondContact O-N 2.97Å; F191-V193 PolarHBondContact O-N 3.01Å; V193-L195 VanDerWaalsContact C-N 3.3Å; V193-L195 PolarHBondContact O-N 3.43Å; V193-I196 PolarHBondContact O-N 3.21Å; V193-R197 HydrophobicContact CG1-CG 4.39Å; V193-R197 WeakPolarHBondContact O-CG 3.3Å; V193-R197 PolarHBondContact O-N 3.23Å |
| 194 | S | 95.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 176.6 | 84.1 | 0 | 0 | 0 | 0 | 112.6 | F190 F191 R192 K198 | F190-S194 WeakPolarHBondContact O-CB 3.28Å; F190-S194 PolarHBondContact O-N 3.19Å; F191-S194 WeakPolarHBondContact O-CB 3.3Å; F191-S194 PolarHBondContact O-N 2.86Å; F191-S194 VanDerWaalsContact O-N 3.15Å; F191-S194 PolarHBondContact O-OG 2.87Å; R192-S194 VanDerWaalsContact C-N 3.27Å; R192-S194 PolarHBondContact O-N 3.42Å; S194-K198 WeakPolarHBondContact O-CB 3.49Å; S194-K198 VanDerWaalsContact O-CG 3.26Å; S194-K198 WeakPolarHBondContact O-CG 3.21Å; S194-K198 PolarHBondContact O-N 3.01Å |
| 195 | L | 95.4 | Very high | 93.4 | Very high | 78 Ų | 78 | 52.1 Ų | 52.1 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.9 | -43.2 | 175.5 | -63.7 | 178.9 | 0 | 0 | 0 | 111.3 | F191 R192 V193 K198 A199 | F191-L195 HydrophobicContact CD1-CD1 4.36Å; F191-L195 HydrophobicContact CE1-CD1 3.82Å; F191-L195 HydrophobicContact CE1-CG 4.43Å; F191-L195 HydrophobicContact CE2-CD2 4.31Å; F191-L195 HydrophobicContact CE2-CG 4.47Å; F191-L195 HydrophobicContact CZ-CD1 3.99Å; F191-L195 HydrophobicContact CZ-CD2 4.19Å; F191-L195 HydrophobicContact CZ-CG 4.26Å; F191-L195 WeakPolarHBondContact O-CG 3.34Å; F191-L195 PolarHBondContact O-N 3.32Å; F191-L195 VanDerWaalsContact O-N 3.09Å; R192-L195 WeakPolarHBondContact O-CB 3.29Å; R192-L195 PolarHBondContact O-N 3.25Å; R192-L195 VanDerWaalsContact O-N 3.11Å; V193-L195 VanDerWaalsContact C-N 3.3Å; V193-L195 PolarHBondContact O-N 3.43Å; L195-K198 PolarHBondContact O-N 3.19Å; L195-A199 WeakPolarHBondContact O-CB 3.08Å; L195-A199 PolarHBondContact O-N 3.31Å |
| 196 | I | 96 | Very high | 92.6 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 176.6 | -67.3 | 166.2 | 0 | 0 | 0 | 110.3 | V123 Q126 L130 R192 V193 A199 A200 | V123-I196 HydrophobicContact CB-CG2 4.39Å; V123-I196 HydrophobicContact CG1-CG2 3.92Å; Q126-I196 HydrophobicContact CB-CD1 3.93Å; Q126-I196 HydrophobicContact CB-CG1 4.21Å; Q126-I196 HydrophobicContact CB-CG2 3.65Å; Q126-I196 HydrophobicContact CG-CG2 4.44Å; L130-I196 HydrophobicContact CD1-CD1 3.83Å; L130-I196 HydrophobicContact CD2-CD1 4.07Å; L130-I196 HydrophobicContact CG-CD1 3.98Å; R192-I196 WeakPolarHBondContact O-CG1 3.43Å; R192-I196 PolarHBondContact O-N 3.19Å; V193-I196 PolarHBondContact O-N 3.21Å; I196-A199 PolarHBondContact O-N 2.66Å; I196-A200 PolarHBondContact O-N 3.28Å |
| 197 | R | 94.9 | Very high | 91.6 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 178.4 | -71.9 | 177.6 | 61.1 | 163.8 | -3.2 | 112.1 | P113 V123 V193 A199 A200 E201 | P113-R197 PolarHBondContact O-NH1 3.39Å; V123-R197 HydrophobicContact CG1-CG 4.07Å; V193-R197 HydrophobicContact CG1-CG 4.39Å; V193-R197 WeakPolarHBondContact O-CG 3.3Å; V193-R197 PolarHBondContact O-N 3.23Å; R197-A199 VanDerWaalsContact C-N 3.25Å; R197-A199 PolarHBondContact O-N 2.82Å; R197-A200 PolarHBondContact O-N 3.42Å; R197-E201 WeakPolarHBondContact O-CG 3.1Å; R197-E201 PolarHBondContact O-N 3.47Å |
| 198 | K | 94.1 | Very high | 90.1 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 40% | 0.404 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 176.2 | -72.9 | 172.8 | -178.8 | 177.5 | 0 | 112.4 | S194 L195 R202 | S194-K198 WeakPolarHBondContact O-CB 3.49Å; S194-K198 VanDerWaalsContact O-CG 3.26Å; S194-K198 WeakPolarHBondContact O-CG 3.21Å; S194-K198 PolarHBondContact O-N 3.01Å; L195-K198 PolarHBondContact O-N 3.19Å; K198-R202 VanDerWaalsContact O-CG 3.3Å; K198-R202 WeakPolarHBondContact O-CG 2.92Å; K198-R202 PolarHBondContact O-N 3.41Å |
| 199 | A | 93.8 | Very high | 88.7 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.8 | -44.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L195 I196 R197 E201 R202 E203 | L195-A199 WeakPolarHBondContact O-CB 3.08Å; L195-A199 PolarHBondContact O-N 3.31Å; I196-A199 PolarHBondContact O-N 2.66Å; R197-A199 VanDerWaalsContact C-N 3.25Å; R197-A199 PolarHBondContact O-N 2.82Å; A199-E201 PolarHBondContact O-N 3.33Å; A199-R202 PolarHBondContact O-N 3.26Å; A199-R202 VanDerWaalsContact O-N 3.13Å; A199-E203 PolarHBondContact O-N 2.77Å |
| 200 | A | 92.4 | Very high | 86.9 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 12% | 0.124 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V123 I196 R197 R202 E203 E204 | V123-A200 HydrophobicContact CG2-CB 3.47Å; V123-A200 VanDerWaalsContact CG2-CB 3.47Å; I196-A200 PolarHBondContact O-N 3.28Å; R197-A200 PolarHBondContact O-N 3.42Å; A200-R202 VanDerWaalsContact C-N 3.25Å; A200-R202 PolarHBondContact O-N 3.37Å; A200-E203 PolarHBondContact O-N 3Å; A200-E204 PolarHBondContact O-N 3.44Å |
| 201 | E | 90.9 | Very high | 85.1 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -33.8 | 174.1 | -71.9 | 165.7 | -170.9 | 0 | 0 | 112.4 | R197 A199 | R197-E201 WeakPolarHBondContact O-CG 3.1Å; R197-E201 PolarHBondContact O-N 3.47Å; A199-E201 PolarHBondContact O-N 3.33Å |
| 202 | R | 89.5 | Confident | 83.2 | Confident | 191 Ų | 191 | 73.8 Ų | 73.8 | 72% | 0.721 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -77.4 | -40.4 | 178.1 | -71.4 | 173.5 | -175.5 | -161 | 0.2 | 112.8 | K198 A199 A200 E204 V205 A206 | K198-R202 VanDerWaalsContact O-CG 3.3Å; K198-R202 WeakPolarHBondContact O-CG 2.92Å; K198-R202 PolarHBondContact O-N 3.41Å; A199-R202 PolarHBondContact O-N 3.26Å; A199-R202 VanDerWaalsContact O-N 3.13Å; A200-R202 VanDerWaalsContact C-N 3.25Å; A200-R202 PolarHBondContact O-N 3.37Å; R202-E204 PolarHBondContact O-N 3.21Å; R202-V205 PolarHBondContact O-N 3.37Å; R202-A206 PolarHBondContact O-N 3.14Å |
| 203 | E | 87.1 | Confident | 81.3 | Confident | 126 Ų | 126 | 77.6 Ų | 77.6 | 59% | 0.589 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.9 | -36.6 | 177.2 | -174.4 | 172.9 | -176.8 | 0 | 0 | 111.2 | A199 A200 A206 A207 | A199-E203 PolarHBondContact O-N 2.77Å; A200-E203 PolarHBondContact O-N 3Å; E203-A206 PolarHBondContact O-N 3.48Å; E203-A207 WeakPolarHBondContact O-CB 3.36Å; E203-A207 PolarHBondContact O-N 2.99Å |
| 204 | E | 79.7 | Confident | 79.4 | Confident | 87 Ų | 87 | 86.8 Ų | 86.8 | 41% | 0.407 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 175.1 | -170.6 | -162.3 | 176.1 | 0 | 0 | 112.8 | K118 A200 R202 A206 A207 G208 | K118-E204 VanDerWaalsContact CD-CD 3.45Å; K118-E204 WeakPolarHBondContact CD-OE1 3.28Å; K118-E204 WeakPolarHBondContact CD-OE2 3.26Å; K118-E204 WeakPolarHBondContact CE-OE1 3.46Å; K118-E204 IonicContact NZ-OE1 2.77Å; K118-E204 PolarHBondContact NZ-OE1 3.19Å; K118-E204 IonicContact NZ-OE2 2.69Å; K118-E204 PolarHBondContact NZ-OE2 3.44Å; A200-E204 PolarHBondContact O-N 3.44Å; R202-E204 PolarHBondContact O-N 3.21Å; E204-A206 VanDerWaalsContact C-N 3.28Å; E204-A206 PolarHBondContact O-N 3.05Å; E204-A207 PolarHBondContact O-N 3.26Å; E204-G208 PolarHBondContact O-N 3.43Å |
| 205 | V | 78.4 | Confident | 77.5 | Confident | 87 Ų | 87 | 90.8 Ų | 90.8 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | -179.5 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | R202 A207 G208 E209 | R202-V205 PolarHBondContact O-N 3.37Å; V205-A207 PolarHBondContact O-N 2.97Å; V205-G208 PolarHBondContact O-N 3.43Å; V205-E209 WeakPolarHBondContact O-CG 3.49Å; V205-E209 PolarHBondContact O-N 3.31Å |
| 206 | A | 81 | Confident | 75.3 | Confident | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R202 E203 E204 N210 | R202-A206 PolarHBondContact O-N 3.14Å; E203-A206 PolarHBondContact O-N 3.48Å; E204-A206 VanDerWaalsContact C-N 3.28Å; E204-A206 PolarHBondContact O-N 3.05Å; A206-N210 PolarHBondContact O-N 3.18Å; A206-N210 PolarHBondContact O-ND2 3.39Å |
| 207 | A | 75.4 | Confident | 73.2 | Confident | 62 Ų | 62 | 105 Ų | 105 | 51% | 0.512 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.4 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E203 E204 V205 S211 | E203-A207 WeakPolarHBondContact O-CB 3.36Å; E203-A207 PolarHBondContact O-N 2.99Å; E204-A207 PolarHBondContact O-N 3.26Å; V205-A207 PolarHBondContact O-N 2.97Å; A207-S211 PolarHBondContact O-N 2.8Å |
| 208 | G | 66.6 | Low | 72.1 | Confident | 41 Ų | 41 | 106.1 Ų | 106.1 | 42% | 0.423 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.6 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E204 V205 N210 S211 G212 | E204-G208 PolarHBondContact O-N 3.43Å; V205-G208 PolarHBondContact O-N 3.43Å; G208-N210 PolarHBondContact O-N 3.4Å; G208-S211 PolarHBondContact O-N 3.28Å; G208-S211 PolarHBondContact O-OG 3.37Å; G208-G212 PolarHBondContact O-N 3.46Å |
| 209 | E | 66.8 | Low | 70.9 | Confident | 133 Ų | 133 | 106.7 Ų | 106.7 | 62% | 0.621 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.4 | -41.1 | -179.8 | -71.8 | 176.7 | 168.5 | 0 | 0 | 112.9 | V205 S211 G212 | V205-E209 WeakPolarHBondContact O-CG 3.49Å; V205-E209 PolarHBondContact O-N 3.31Å; E209-S211 VanDerWaalsContact C-N 3.31Å; E209-S211 PolarHBondContact O-N 3.32Å; E209-G212 PolarHBondContact O-N 3.2Å |
| 210 | N | 59.6 | Low | 69.7 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 67% | 0.674 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.6 | -27.9 | 179.1 | -73.6 | -23.5 | 0 | 0 | 0 | 113.3 | A206 G208 T213 | A206-N210 PolarHBondContact O-N 3.18Å; A206-N210 PolarHBondContact O-ND2 3.39Å; G208-N210 PolarHBondContact O-N 3.4Å; N210-T213 PolarHBondContact O-OG1 3.39Å |
| 211 | S | 59.7 | Low | 68.3 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.8 | -26.1 | 176.8 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | A207 G208 E209 | A207-S211 PolarHBondContact O-N 2.8Å; G208-S211 PolarHBondContact O-N 3.28Å; G208-S211 PolarHBondContact O-OG 3.37Å; E209-S211 VanDerWaalsContact C-N 3.31Å; E209-S211 PolarHBondContact O-N 3.32Å |
| 212 | G | 57.9 | Low | 66.9 | Low | 54 Ų | 54 | 116.2 Ų | 116.2 | 56% | 0.557 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.3 | -25.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | G208 E209 F214 | G208-G212 PolarHBondContact O-N 3.46Å; E209-G212 PolarHBondContact O-N 3.2Å; G212-F214 PolarHBondContact O-N 3.43Å |
| 213 | T | 56.2 | Low | 65.4 | Low | 115 Ų | 115 | 111.2 Ų | 111.2 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -8.2 | -176.4 | 45.4 | 0 | 0 | 0 | 0 | 115.5 | N210 | N210-T213 PolarHBondContact O-OG1 3.39Š|
| 214 | F | 57.6 | Low | 63.9 | Low | 196 Ų | 196 | 110.1 Ų | 110.1 | 86% | 0.86 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 7.1 | 178.2 | -155.3 | -100.4 | 0 | 0 | 0 | 114.4 | G212 | G212-F214 PolarHBondContact O-N 3.43Š|
| 215 | S | 54.2 | Low | 62.7 | Low | 106 Ų | 106 | 111.9 Ų | 111.9 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | trans | -102.2 | 56.1 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 216 | F | 48.8 | Very low | 61.4 | Low | 187 Ų | 187 | 114 Ų | 114 | 82% | 0.82 | 69% | 0.685 | S | S | * | * | trans | -156.7 | 93 | 161.1 | -161.2 | -98.9 | 0 | 0 | 0 | 109.8 | ||||
| 217 | V | 52.6 | Low | 59.6 | Low | 208 Ų | 208 | 119.9 Ų | 119.9 | 100% | 1.261 | 71% | 0.71 | S | S | * | * | trans | 169.7 | 0 | 135 | 169.2 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 217 of 217 residues in 36.5 ms
(Link to these results)