| 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 | 42 | Very low | 47.6 | Very low | 241 Ų | 241 | 178.1 Ų | 178.1 | 100% | 1.187 | 86% | 0.862 | S | S | * | * | 0 | 111.4 | 0 | -82.5 | 171.3 | 150.2 | 0 | 0 | 107.9 | |||||
| 2 | T | 47.6 | Very low | 47.7 | Very low | 133 Ų | 133 | 173.8 Ų | 173.8 | 82% | 0.816 | 86% | 0.859 | S | S | * | * | trans | -149.8 | 106.3 | 178.7 | 30 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 3 | P | 49 | Very low | 47.8 | Very low | 126 Ų | 126 | 175.1 Ų | 175.1 | 82% | 0.818 | 86% | 0.861 | S | S | * | * | trans | -78.1 | 137.1 | 177.7 | -7.7 | 24.7 | 0 | 0 | 0 | 110.7 | E5 | P3-E5 PolarHBondContact O-N 2.79Š| ||
| 4 | N | 44.7 | Very low | 48 | Very low | 151 Ų | 151 | 177.9 Ų | 177.9 | 81% | 0.807 | 86% | 0.857 | S | S | * | * | trans | -66.5 | 117.8 | 172.1 | -74.7 | -53.3 | 0 | 0 | 0 | 111 | Q6 | N4-Q6 PolarHBondContact O-N 3.17Š| ||
| 5 | E | 47.4 | Very low | 48.2 | Very low | 194 Ų | 194 | 173.5 Ų | 173.5 | 91% | 0.907 | 85% | 0.848 | S | S | * | * | trans | -79.9 | 90.4 | 157.9 | -72.1 | -164.7 | 135 | 0 | 0 | 109.3 | P3 Q7 | P3-E5 PolarHBondContact O-N 2.79Å; E5-Q7 PolarHBondContact O-N 3.48Å | ||
| 6 | Q | 52.6 | Low | 48.6 | Very low | 144 Ų | 144 | 175.6 Ų | 175.6 | 67% | 0.673 | 85% | 0.852 | S | S | * | * | trans | -67.1 | 114.3 | 167.8 | -72.1 | -179.8 | -20.5 | 0 | 0 | 109.1 | N4 F8 | N4-Q6 PolarHBondContact O-N 3.17Å; Q6-F8 HydrophobicContact CB-CD2 4.39Å; Q6-F8 HydrophobicContact CB-CE2 4.32Å; Q6-F8 PolarHBondContact O-N 3.17Å | ||
| 7 | Q | 48.4 | Very low | 48.5 | Very low | 196 Ų | 196 | 178.6 Ų | 178.6 | 92% | 0.916 | 85% | 0.852 | S | S | * | * | trans | -62.6 | 96.6 | 168.8 | -74.2 | -176.8 | -26.1 | 0 | 0 | 109.6 | E5 E9 | E5-Q7 PolarHBondContact O-N 3.48Å; Q7-E9 PolarHBondContact O-N 3.35Å; Q7-E9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | F | 48.8 | Very low | 48.3 | Very low | 173 Ų | 173 | 173.6 Ų | 173.6 | 76% | 0.759 | 85% | 0.845 | S | S | * | * | trans | -71.3 | 102 | 169 | -92.6 | -91 | 0 | 0 | 0 | 109.3 | Q6 Q10 | Q6-F8 HydrophobicContact CB-CD2 4.39Å; Q6-F8 HydrophobicContact CB-CE2 4.32Å; Q6-F8 PolarHBondContact O-N 3.17Å; F8-Q10 PolarHBondContact O-N 2.87Å | ||
| 9 | E | 50.5 | Low | 48.2 | Very low | 186 Ų | 186 | 173.7 Ų | 173.7 | 87% | 0.869 | 85% | 0.849 | S | S | * | * | trans | -52.7 | 108.2 | 174.4 | -166.5 | 177.1 | -148.2 | 0 | 0 | 110.3 | Q7 R11 | Q7-E9 PolarHBondContact O-N 3.35Å; Q7-E9 VanDerWaalsContact O-N 3.08Å; E9-R11 PolarHBondContact O-N 2.9Å | ||
| 10 | Q | 47.6 | Very low | 47.9 | Very low | 187 Ų | 187 | 169.6 Ų | 169.6 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -69.3 | 98.5 | -176.6 | -70.8 | -174.5 | 1.5 | 0 | 0 | 110.2 | F8 | F8-Q10 PolarHBondContact O-N 2.87Š| ||
| 11 | R | 45 | Very low | 47.9 | Very low | 228 Ų | 228 | 170.8 Ų | 170.8 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -54.7 | 130.8 | 168.6 | -77 | -177.3 | 174.6 | 147.3 | 0.6 | 109.5 | E9 H13 | E9-R11 PolarHBondContact O-N 2.9Å; R11-H13 PolarHBondContact O-N 2.89Å | ||
| 12 | P | 49.4 | Very low | 48 | Very low | 127 Ų | 127 | 166 Ų | 166 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -59 | 129.9 | -176.1 | 22.3 | -32.9 | 0 | 0 | 0 | 110.8 | R14 | P12-R14 PolarHBondContact O-N 3.22Š| ||
| 13 | H | 48 | Very low | 48 | Very low | 190 Ų | 190 | 163.8 Ų | 163.8 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -56.4 | 110.4 | -179.5 | -96.1 | -70.8 | 0 | 0 | 0 | 110.8 | R11 | R11-H13 PolarHBondContact O-N 2.89Š| ||
| 14 | R | 51.7 | Low | 48.1 | Very low | 214 Ų | 214 | 164.4 Ų | 164.4 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -55 | 126.7 | 170.5 | -171.3 | 178.3 | -169.6 | 170.7 | 4.3 | 108.6 | P12 K16 | P12-R14 PolarHBondContact O-N 3.22Å; R14-K16 PolarHBondContact O-N 3.34Å | ||
| 15 | P | 50.7 | Low | 48.5 | Very low | 112 Ų | 112 | 163.9 Ų | 163.9 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -54.4 | 126.8 | 178.7 | -27.6 | 34.8 | 0 | 0 | 0 | 110.6 | R17 | P15-R17 VanDerWaalsContact C-N 3.32Å; P15-R17 PolarHBondContact O-N 3.07Å | ||
| 16 | K | 54.8 | Low | 48.8 | Very low | 207 Ų | 207 | 158.4 Ų | 158.4 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 96.7 | 169.4 | -70.6 | 179.4 | 179.6 | 176.4 | 0 | 107 | R14 A18 | R14-K16 PolarHBondContact O-N 3.34Å; K16-A18 PolarHBondContact O-N 3.13Å; K16-A18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | R | 46.7 | Very low | 49.2 | Very low | 228 Ų | 228 | 158.2 Ų | 158.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -54.3 | 124.5 | 169.5 | -79.2 | -176.8 | 174.2 | 157.5 | -3.2 | 107 | P15 | P15-R17 VanDerWaalsContact C-N 3.32Å; P15-R17 PolarHBondContact O-N 3.07Å | ||
| 18 | A | 44 | Very low | 50 | Low | 88 Ų | 88 | 155.2 Ų | 155.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -54.1 | 147.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | K16 S20 | K16-A18 PolarHBondContact O-N 3.13Å; K16-A18 VanDerWaalsContact O-N 3.16Å; A18-S20 PolarHBondContact O-N 3.43Å | ||
| 19 | L | 46.6 | Very low | 51.4 | Low | 176 Ų | 176 | 149.9 Ų | 149.9 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -68.6 | 72.7 | 168 | -73.2 | 161.5 | 0 | 0 | 0 | 108.6 | K21 | L19-K21 PolarHBondContact O-N 3.44Š| ||
| 20 | S | 43 | Very low | 52.8 | Low | 91 Ų | 91 | 142.6 Ų | 142.6 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | -55.5 | 133.9 | 159.7 | -171 | 0 | 0 | 0 | 0 | 107 | A18 I22 | A18-S20 PolarHBondContact O-N 3.43Å; S20-I22 PolarHBondContact O-N 3.35Å | ||
| 21 | K | 47.8 | Very low | 54.6 | Low | 194 Ų | 194 | 136.4 Ų | 136.4 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -73.2 | 97.2 | 179.9 | -65.3 | 177.9 | -179.8 | 179 | 0 | 107 | L19 S23 | L19-K21 PolarHBondContact O-N 3.44Å; K21-S23 PolarHBondContact O-N 3.17Å | ||
| 22 | I | 42.8 | Very low | 56.2 | Low | 141 Ų | 141 | 133.8 Ų | 133.8 | 72% | 0.723 | 70% | 0.703 | S | S | * | * | trans | -67.8 | 98.4 | -176.5 | -61.7 | 149.9 | 0 | 0 | 0 | 108.7 | S20 | S20-I22 PolarHBondContact O-N 3.35Š| ||
| 23 | S | 49.2 | Very low | 57.9 | Low | 87 Ų | 87 | 134.7 Ų | 134.7 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | trans | -105.3 | -7.8 | 165.3 | 44 | 0 | 0 | 0 | 0 | 113.1 | K21 | K21-S23 PolarHBondContact O-N 3.17Š| ||
| 24 | D | 51.4 | Low | 59.5 | Low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -3.2 | -152.8 | -59.6 | -5.1 | 0 | 0 | 0 | 114.9 | ||
| 25 | D | 53 | Low | 61 | Low | 140 Ų | 140 | 122 Ų | 122 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 0.1 | 174.1 | -79.6 | -37.3 | 0 | 0 | 0 | 113.1 | V27 | D25-V27 PolarHBondContact O-N 3.3Å; D25-V27 VanDerWaalsContact O-N 3.14Å |
| 26 | N | 53.1 | Low | 62.6 | Low | 78 Ų | 78 | 119.5 Ų | 119.5 | 42% | 0.417 | 62% | 0.623 | S | S | . | * | trans | -89.5 | 63 | -174.5 | -82.9 | 24.7 | 0 | 0 | 0 | 113.3 | L28 G29 I30 | N26-L28 PolarHBondContact O-N 3.46Å; N26-G29 PolarHBondContact ND2-O 2.99Å; N26-G29 VanDerWaalsContact ND2-O 3.11Å; N26-G29 PolarHBondContact O-N 3.27Å; N26-I30 PolarHBondContact ND2-O 2.88Å; N26-I30 PolarHBondContact OD1-O 2.91Å; N26-I30 VanDerWaalsContact OD1-O 3.1Å | ||
| 27 | V | 59.8 | Low | 64.1 | Low | 141 Ų | 141 | 114.7 Ų | 114.7 | 86% | 0.855 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -25 | 171.8 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | D25 | D25-V27 PolarHBondContact O-N 3.3Å; D25-V27 VanDerWaalsContact O-N 3.14Å |
| 28 | L | 65.8 | Low | 66.1 | Low | 133 Ų | 133 | 108.1 Ų | 108.1 | 70% | 0.696 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 6.7 | -180 | -65.7 | 173.6 | 0 | 0 | 0 | 113.9 | N26 I30 | N26-L28 PolarHBondContact O-N 3.46Å; L28-I30 HydrophobicContact CB-CD1 4.16Å; L28-I30 HydrophobicContact CB-CG1 3.95Å; L28-I30 HydrophobicContact CD1-CD1 4.27Å; L28-I30 PolarHBondContact O-N 3.16Å |
| 29 | G | 78.5 | Confident | 68.1 | Low | 61 Ų | 61 | 107.8 Ų | 107.8 | 63% | 0.629 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 71.9 | -16.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | N26 | N26-G29 PolarHBondContact ND2-O 2.99Å; N26-G29 VanDerWaalsContact ND2-O 3.11Å; N26-G29 PolarHBondContact O-N 3.27Å |
| 30 | I | 80.1 | Confident | 70.2 | Confident | 32 Ų | 32 | 106.2 Ų | 106.2 | 16% | 0.164 | 55% | 0.551 | C | S | . | * | trans | -77.6 | 154.8 | -176.3 | 60.3 | 177.9 | 0 | 0 | 0 | 114.3 | N26 L28 E34 E35 L38 | N26-I30 PolarHBondContact ND2-O 2.88Å; N26-I30 PolarHBondContact OD1-O 2.91Å; N26-I30 VanDerWaalsContact OD1-O 3.1Å; L28-I30 HydrophobicContact CB-CD1 4.16Å; L28-I30 HydrophobicContact CB-CG1 3.95Å; L28-I30 HydrophobicContact CD1-CD1 4.27Å; L28-I30 PolarHBondContact O-N 3.16Å; I30-E34 WeakPolarHBondContact CA-OE2 3.48Å; I30-E34 HydrophobicContact CB-CB 4.35Å; I30-E34 HydrophobicContact CB-CG 4Å; I30-E34 VanDerWaalsContact CB-OE2 3.31Å; I30-E34 WeakPolarHBondContact CB-OE2 3.45Å; I30-E34 VanDerWaalsContact CG2-CD 3.48Å; I30-E34 HydrophobicContact CG2-CG 4.19Å; I30-E34 WeakPolarHBondContact CG2-OE1 3.42Å; I30-E35 HydrophobicContact CD1-CB 3.9Å; I30-E35 HydrophobicContact CD1-CG 3.93Å; I30-E35 HydrophobicContact CG1-CB 4.44Å; I30-L38 HydrophobicContact CD1-CD1 3.77Å | ||
| 31 | S | 84.5 | Confident | 72.1 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 40% | 0.399 | 54% | 0.541 | S | S | . | . | trans | -72.8 | 154.9 | 175.7 | 72.6 | 0 | 0 | 0 | 0 | 112.5 | K33 E34 E35 | S31-K33 PolarHBondContact O-N 3.42Å; S31-K33 VanDerWaalsContact O-N 3.15Å; S31-E34 PolarHBondContact N-OE2 3.03Å; S31-E34 VanDerWaalsContact N-OE2 3.09Å; S31-E34 WeakPolarHBondContact O-CB 3.28Å; S31-E34 PolarHBondContact O-N 3.32Å; S31-E34 VanDerWaalsContact O-N 3.08Å; S31-E34 VanDerWaalsContact OG-CB 3.28Å; S31-E34 WeakPolarHBondContact OG-CB 3.43Å; S31-E34 PolarHBondContact OG-N 3.04Å; S31-E35 PolarHBondContact O-N 2.81Å | ||
| 32 | W | 79.3 | Confident | 73.9 | Confident | 174 Ų | 174 | 100.8 Ų | 100.8 | 66% | 0.659 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -54.1 | -34.7 | 172.7 | 168.6 | -102 | 0 | 0 | 0 | 113.2 | Q36 | W32-Q36 HydrophobicContact CD2-CG 4.25Å; W32-Q36 HydrophobicContact CZ2-CG 4.13Å; W32-Q36 VanDerWaalsContact O-CG 3.26Å; W32-Q36 WeakPolarHBondContact O-CG 3.33Å; W32-Q36 PolarHBondContact O-N 2.94Å; W32-Q36 VanDerWaalsContact O-N 3.09Å |
| 33 | K | 84.3 | Confident | 75.7 | Confident | 145 Ų | 145 | 99 Ų | 99 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -46.6 | 177.3 | -175.1 | -175.3 | 170.8 | -165.4 | 0 | 111 | S31 Q36 E37 | S31-K33 PolarHBondContact O-N 3.42Å; S31-K33 VanDerWaalsContact O-N 3.15Å; K33-Q36 PolarHBondContact O-N 3.05Å; K33-E37 WeakPolarHBondContact CE-OE1 3.34Å; K33-E37 IonicContact NZ-OE1 3.97Å; K33-E37 PolarHBondContact O-N 3.38Å |
| 34 | E | 83.2 | Confident | 77.1 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 41% | 0.407 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 176.7 | -178.4 | 179.6 | -171.2 | 0 | 0 | 111.7 | I30 S31 Q36 E37 L38 | I30-E34 WeakPolarHBondContact CA-OE2 3.48Å; I30-E34 HydrophobicContact CB-CB 4.35Å; I30-E34 HydrophobicContact CB-CG 4Å; I30-E34 VanDerWaalsContact CB-OE2 3.31Å; I30-E34 WeakPolarHBondContact CB-OE2 3.45Å; I30-E34 VanDerWaalsContact CG2-CD 3.48Å; I30-E34 HydrophobicContact CG2-CG 4.19Å; I30-E34 WeakPolarHBondContact CG2-OE1 3.42Å; S31-E34 PolarHBondContact N-OE2 3.03Å; S31-E34 VanDerWaalsContact N-OE2 3.09Å; S31-E34 WeakPolarHBondContact O-CB 3.28Å; S31-E34 PolarHBondContact O-N 3.32Å; S31-E34 VanDerWaalsContact O-N 3.08Å; S31-E34 VanDerWaalsContact OG-CB 3.28Å; S31-E34 WeakPolarHBondContact OG-CB 3.43Å; S31-E34 PolarHBondContact OG-N 3.04Å; E34-Q36 VanDerWaalsContact C-N 3.3Å; E34-Q36 PolarHBondContact O-N 2.94Å; E34-E37 PolarHBondContact O-N 3.11Å; E34-L38 HydrophobicContact CG-CD1 4.37Å; E34-L38 WeakPolarHBondContact O-CB 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.48Å; E34-L38 PolarHBondContact O-N 3.49Å |
| 35 | E | 82.6 | Confident | 78.3 | Confident | 51 Ų | 51 | 95.3 Ų | 95.3 | 24% | 0.238 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 173.6 | -156.9 | -146.5 | 169.9 | 0 | 0 | 111.9 | I30 S31 R39 | I30-E35 HydrophobicContact CD1-CB 3.9Å; I30-E35 HydrophobicContact CD1-CG 3.93Å; I30-E35 HydrophobicContact CG1-CB 4.44Å; S31-E35 PolarHBondContact O-N 2.81Å; E35-R39 VanDerWaalsContact CD-NE 3.27Å; E35-R39 VanDerWaalsContact CD-NH2 3.29Å; E35-R39 WeakPolarHBondContact O-CB 3.38Å; E35-R39 WeakPolarHBondContact O-CD 3.41Å; E35-R39 WeakPolarHBondContact O-CG 3.12Å; E35-R39 PolarHBondContact O-N 3.13Å; E35-R39 IonicContact OE1-CZ 3.39Å; E35-R39 IonicContact OE1-NE 2.82Å; E35-R39 PolarHBondContact OE1-NE 3.1Å; E35-R39 IonicContact OE1-NH2 3.33Å; E35-R39 PolarHBondContact OE1-NH2 3.49Å; E35-R39 IonicContact OE2-CZ 2.67Å; E35-R39 IonicContact OE2-NE 3.59Å; E35-R39 IonicContact OE2-NH2 3.19Å; E35-R39 PolarHBondContact OE2-NH2 3.16Å |
| 36 | Q | 84.6 | Confident | 79.3 | Confident | 59 Ų | 59 | 93 Ų | 93 | 28% | 0.276 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.3 | -35 | 176.1 | -69.5 | -68.6 | -31.4 | 0 | 0 | 112.6 | W32 K33 E34 K40 | W32-Q36 HydrophobicContact CD2-CG 4.25Å; W32-Q36 HydrophobicContact CZ2-CG 4.13Å; W32-Q36 VanDerWaalsContact O-CG 3.26Å; W32-Q36 WeakPolarHBondContact O-CG 3.33Å; W32-Q36 PolarHBondContact O-N 2.94Å; W32-Q36 VanDerWaalsContact O-N 3.09Å; K33-Q36 PolarHBondContact O-N 3.05Å; E34-Q36 VanDerWaalsContact C-N 3.3Å; E34-Q36 PolarHBondContact O-N 2.94Å; Q36-K40 WeakPolarHBondContact O-CG 3.47Å; Q36-K40 PolarHBondContact O-N 2.9Å |
| 37 | E | 85.9 | Confident | 80.3 | Confident | 107 Ų | 107 | 95.5 Ų | 95.5 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 174.1 | -74.8 | 172 | -169.6 | 0 | 0 | 111.2 | K33 E34 K40 A41 | K33-E37 WeakPolarHBondContact CE-OE1 3.34Å; K33-E37 IonicContact NZ-OE1 3.97Å; K33-E37 PolarHBondContact O-N 3.38Å; E34-E37 PolarHBondContact O-N 3.11Å; E37-K40 WeakPolarHBondContact O-CB 3.38Å; E37-K40 PolarHBondContact O-N 3.21Å; E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.15Å |
| 38 | L | 89.2 | Confident | 80.7 | Confident | 89 Ų | 89 | 92.7 Ų | 92.7 | 47% | 0.466 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 172.1 | -72.7 | 169.9 | 0 | 0 | 0 | 112.3 | I30 E34 K40 A41 M42 | I30-L38 HydrophobicContact CD1-CD1 3.77Å; E34-L38 HydrophobicContact CG-CD1 4.37Å; E34-L38 WeakPolarHBondContact O-CB 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.48Å; E34-L38 PolarHBondContact O-N 3.49Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.08Å; L38-A41 PolarHBondContact O-N 2.94Å; L38-M42 WeakPolarHBondContact O-CG 3.5Å; L38-M42 PolarHBondContact O-N 3.48Å |
| 39 | R | 86.6 | Confident | 80.6 | Confident | 82 Ų | 82 | 91.7 Ų | 91.7 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.5 | -39 | 175 | -76 | 168.7 | 177.3 | -159.4 | 7.9 | 112 | E35 Y43 | E35-R39 VanDerWaalsContact CD-NE 3.27Å; E35-R39 VanDerWaalsContact CD-NH2 3.29Å; E35-R39 WeakPolarHBondContact O-CB 3.38Å; E35-R39 WeakPolarHBondContact O-CD 3.41Å; E35-R39 WeakPolarHBondContact O-CG 3.12Å; E35-R39 PolarHBondContact O-N 3.13Å; E35-R39 IonicContact OE1-CZ 3.39Å; E35-R39 IonicContact OE1-NE 2.82Å; E35-R39 PolarHBondContact OE1-NE 3.1Å; E35-R39 IonicContact OE1-NH2 3.33Å; E35-R39 PolarHBondContact OE1-NH2 3.49Å; E35-R39 IonicContact OE2-CZ 2.67Å; E35-R39 IonicContact OE2-NE 3.59Å; E35-R39 IonicContact OE2-NH2 3.19Å; E35-R39 PolarHBondContact OE2-NH2 3.16Å; R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 3.29Å |
| 40 | K | 89 | Confident | 79.7 | Confident | 142 Ų | 142 | 94.7 Ų | 94.7 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.7 | -46.9 | 173.4 | -77.6 | 175.7 | -180 | 177.8 | 0 | 111.8 | Q36 E37 L38 Y43 V44 | Q36-K40 WeakPolarHBondContact O-CG 3.47Å; Q36-K40 PolarHBondContact O-N 2.9Å; E37-K40 WeakPolarHBondContact O-CB 3.38Å; E37-K40 PolarHBondContact O-N 3.21Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.08Å; K40-Y43 PolarHBondContact O-N 3.15Å; K40-Y43 VanDerWaalsContact O-N 3.16Å; K40-V44 WeakPolarHBondContact O-CG2 3.4Å; K40-V44 PolarHBondContact O-N 2.84Å |
| 41 | A | 84.5 | Confident | 78.7 | Confident | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E37 L38 Y43 V44 S45 | E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.15Å; L38-A41 PolarHBondContact O-N 2.94Å; A41-Y43 VanDerWaalsContact C-N 3.29Å; A41-Y43 PolarHBondContact O-N 3.3Å; A41-V44 PolarHBondContact O-N 3.02Å; A41-S45 PolarHBondContact O-N 3.39Å; A41-S45 PolarHBondContact O-OG 2.81Å |
| 42 | M | 83.8 | Confident | 77.3 | Confident | 119 Ų | 119 | 101.5 Ų | 101.5 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.9 | -40.2 | 174.8 | -67.8 | -165 | -49.5 | 0 | 0 | 112.5 | L38 S45 L46 | L38-M42 WeakPolarHBondContact O-CG 3.5Å; L38-M42 PolarHBondContact O-N 3.48Å; M42-S45 PolarHBondContact O-N 3.34Å; M42-L46 VanDerWaalsContact O-CB 3.31Å; M42-L46 WeakPolarHBondContact O-CB 3.48Å; M42-L46 VanDerWaalsContact O-CG 3.25Å; M42-L46 WeakPolarHBondContact O-CG 3.49Å; M42-L46 PolarHBondContact O-N 3.13Å |
| 43 | Y | 81.4 | Confident | 76.1 | Confident | 103 Ų | 103 | 97 Ų | 97 | 40% | 0.404 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 179.5 | -171.2 | -103.3 | 0 | 0 | 0 | 112.7 | R39 K40 A41 R47 | R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 3.29Å; K40-Y43 PolarHBondContact O-N 3.15Å; K40-Y43 VanDerWaalsContact O-N 3.16Å; A41-Y43 VanDerWaalsContact C-N 3.29Å; A41-Y43 PolarHBondContact O-N 3.3Å; Y43-R47 HydrophobicContact CE1-CG 4.38Å; Y43-R47 WeakPolarHBondContact O-CG 3.4Å; Y43-R47 PolarHBondContact O-N 2.89Å; Y43-R47 VanDerWaalsContact O-N 3.13Å; Y43-R47 PolarHBondContact OH-NE 3.48Å; Y43-R47 PolarHBondContact OH-NH2 3.4Å |
| 44 | V | 77.8 | Confident | 74.6 | Confident | 77 Ų | 77 | 94.1 Ų | 94.1 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.2 | -52.6 | 172.2 | 173.2 | 0 | 0 | 0 | 0 | 110 | K40 A41 L46 R47 D48 | K40-V44 WeakPolarHBondContact O-CG2 3.4Å; K40-V44 PolarHBondContact O-N 2.84Å; A41-V44 PolarHBondContact O-N 3.02Å; V44-L46 VanDerWaalsContact C-N 3.28Å; V44-L46 PolarHBondContact O-N 2.72Å; V44-R47 WeakPolarHBondContact O-CA 3.38Å; V44-R47 WeakPolarHBondContact O-CB 3.49Å; V44-R47 PolarHBondContact O-N 2.82Å; V44-D48 WeakPolarHBondContact CG1-OD2 3.36Å; V44-D48 VanDerWaalsContact O-CG 3.26Å; V44-D48 PolarHBondContact O-N 2.72Å |
| 45 | S | 76.8 | Confident | 73 | Confident | 73 Ų | 73 | 97.3 Ų | 97.3 | 51% | 0.51 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.8 | -37.7 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | A41 M42 D48 Q49 | A41-S45 PolarHBondContact O-N 3.39Å; A41-S45 PolarHBondContact O-OG 2.81Å; M42-S45 PolarHBondContact O-N 3.34Å; S45-D48 PolarHBondContact O-N 2.86Å; S45-Q49 VanDerWaalsContact O-CB 3.27Å; S45-Q49 WeakPolarHBondContact O-CB 3.31Å; S45-Q49 PolarHBondContact O-N 3.16Å |
| 46 | L | 75.1 | Confident | 71.4 | Confident | 90 Ų | 90 | 96.9 Ų | 96.9 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -32 | 174.3 | -75.7 | 168.6 | 0 | 0 | 0 | 113 | M42 V44 Q50 | M42-L46 VanDerWaalsContact O-CB 3.31Å; M42-L46 WeakPolarHBondContact O-CB 3.48Å; M42-L46 VanDerWaalsContact O-CG 3.25Å; M42-L46 WeakPolarHBondContact O-CG 3.49Å; M42-L46 PolarHBondContact O-N 3.13Å; V44-L46 VanDerWaalsContact C-N 3.28Å; V44-L46 PolarHBondContact O-N 2.72Å; L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 3.15Å |
| 47 | R | 73.1 | Confident | 69.7 | Low | 131 Ų | 131 | 96.5 Ų | 96.5 | 49% | 0.494 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.2 | -43.6 | 172.2 | -82 | -170.7 | 175 | -152.9 | 3.8 | 111.7 | Y43 V44 Q49 Q50 Q51 | Y43-R47 HydrophobicContact CE1-CG 4.38Å; Y43-R47 WeakPolarHBondContact O-CG 3.4Å; Y43-R47 PolarHBondContact O-N 2.89Å; Y43-R47 VanDerWaalsContact O-N 3.13Å; Y43-R47 PolarHBondContact OH-NE 3.48Å; Y43-R47 PolarHBondContact OH-NH2 3.4Å; V44-R47 WeakPolarHBondContact O-CA 3.38Å; V44-R47 WeakPolarHBondContact O-CB 3.49Å; V44-R47 PolarHBondContact O-N 2.82Å; R47-Q49 VanDerWaalsContact C-N 3.27Å; R47-Q49 PolarHBondContact O-N 3.37Å; R47-Q50 CarbonylContact O-C 3.58Å; R47-Q50 PolarHBondContact O-N 2.9Å; R47-Q51 WeakPolarHBondContact O-CG 3.38Å; R47-Q51 PolarHBondContact O-N 3.06Å |
| 48 | D | 68 | Low | 68 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 178 | -58.1 | -19.2 | 0 | 0 | 0 | 110.3 | V44 S45 Q51 T52 | V44-D48 WeakPolarHBondContact CG1-OD2 3.36Å; V44-D48 VanDerWaalsContact O-CG 3.26Å; V44-D48 PolarHBondContact O-N 2.72Å; S45-D48 PolarHBondContact O-N 2.86Å; D48-Q51 PolarHBondContact O-N 3.35Å; D48-T52 WeakPolarHBondContact O-CB 3.41Å; D48-T52 WeakPolarHBondContact O-CG2 3.5Å; D48-T52 PolarHBondContact O-N 3.15Å; D48-T52 PolarHBondContact O-OG1 2.9Å |
| 49 | Q | 65.1 | Low | 66 | Low | 113 Ų | 113 | 96 Ų | 96 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -35.5 | 171.1 | -164.8 | 173.5 | 32.1 | 0 | 0 | 112.4 | S45 R47 T52 N53 | S45-Q49 VanDerWaalsContact O-CB 3.27Å; S45-Q49 WeakPolarHBondContact O-CB 3.31Å; S45-Q49 PolarHBondContact O-N 3.16Å; R47-Q49 VanDerWaalsContact C-N 3.27Å; R47-Q49 PolarHBondContact O-N 3.37Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.37Å; Q49-T52 PolarHBondContact O-OG1 3.12Å; Q49-N53 WeakPolarHBondContact O-CB 3.24Å; Q49-N53 PolarHBondContact O-N 3.4Å; Q49-N53 VanDerWaalsContact O-N 3.1Å; Q49-N53 PolarHBondContact O-ND2 2.76Å |
| 50 | Q | 59 | Low | 64.2 | Low | 123 Ų | 123 | 96.6 Ų | 96.6 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.1 | -32.8 | 174.3 | -76.7 | 175.7 | 20.5 | 0 | 0 | 113.1 | L46 R47 S54 | L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 3.15Å; R47-Q50 CarbonylContact O-C 3.58Å; R47-Q50 PolarHBondContact O-N 2.9Å; Q50-S54 WeakPolarHBondContact O-CB 3.47Å; Q50-S54 PolarHBondContact O-N 2.73Å; Q50-S54 PolarHBondContact O-OG 3.2Å |
| 51 | Q | 58 | Low | 62.4 | Low | 132 Ų | 132 | 95.4 Ų | 95.4 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.9 | -32.7 | 175.1 | -70.8 | -179.1 | 12.4 | 0 | 0 | 112.7 | R47 D48 N53 S54 | R47-Q51 WeakPolarHBondContact O-CG 3.38Å; R47-Q51 PolarHBondContact O-N 3.06Å; D48-Q51 PolarHBondContact O-N 3.35Å; Q51-N53 VanDerWaalsContact C-N 3.35Å; Q51-S54 PolarHBondContact O-OG 3.19Å |
| 52 | T | 56.8 | Low | 60.9 | Low | 101 Ų | 101 | 97.6 Ų | 97.6 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -77.4 | -20.4 | 173.2 | 48 | 0 | 0 | 0 | 0 | 113.2 | D48 Q49 | D48-T52 WeakPolarHBondContact O-CB 3.41Å; D48-T52 WeakPolarHBondContact O-CG2 3.5Å; D48-T52 PolarHBondContact O-N 3.15Å; D48-T52 PolarHBondContact O-OG1 2.9Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.37Å; Q49-T52 PolarHBondContact O-OG1 3.12Å |
| 53 | N | 54.1 | Low | 59.2 | Low | 79 Ų | 79 | 96.5 Ų | 96.5 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -103.6 | -0.7 | 175.3 | -68.4 | -76.4 | 0 | 0 | 0 | 114.8 | Q49 Q51 D55 S56 | Q49-N53 WeakPolarHBondContact O-CB 3.24Å; Q49-N53 PolarHBondContact O-N 3.4Å; Q49-N53 VanDerWaalsContact O-N 3.1Å; Q49-N53 PolarHBondContact O-ND2 2.76Å; Q51-N53 VanDerWaalsContact C-N 3.35Å; N53-D55 PolarHBondContact O-N 2.72Å; N53-S56 WeakPolarHBondContact CA-OG 3.34Å; N53-S56 WeakPolarHBondContact CB-OG 3.42Å; N53-S56 CarbonylContact O-C 3.51Å; N53-S56 PolarHBondContact O-N 3.31Å; N53-S56 VanDerWaalsContact O-N 3.11Å; N53-S56 PolarHBondContact O-OG 2.67Å; N53-S56 PolarHBondContact OD1-OG 2.92Å |
| 54 | S | 52.4 | Low | 57.9 | Low | 85 Ų | 85 | 95 Ų | 95 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -67.4 | -23.4 | 174.9 | 41.7 | 0 | 0 | 0 | 0 | 113.2 | Q50 Q51 | Q50-S54 WeakPolarHBondContact O-CB 3.47Å; Q50-S54 PolarHBondContact O-N 2.73Å; Q50-S54 PolarHBondContact O-OG 3.2Å; Q51-S54 PolarHBondContact O-OG 3.19Å |
| 55 | D | 48.4 | Very low | 56.5 | Low | 153 Ų | 153 | 95.7 Ų | 95.7 | 82% | 0.818 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -87.9 | -15.2 | 172.3 | -62.1 | -27.8 | 0 | 0 | 0 | 112.6 | N53 | N53-D55 PolarHBondContact O-N 2.72Š|
| 56 | S | 50.7 | Low | 55.1 | Low | 42 Ų | 42 | 100.3 Ų | 100.3 | 29% | 0.294 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -100.9 | 81.9 | 175.1 | 64 | 0 | 0 | 0 | 0 | 110.7 | N53 | N53-S56 WeakPolarHBondContact CA-OG 3.34Å; N53-S56 WeakPolarHBondContact CB-OG 3.42Å; N53-S56 CarbonylContact O-C 3.51Å; N53-S56 PolarHBondContact O-N 3.31Å; N53-S56 VanDerWaalsContact O-N 3.11Å; N53-S56 PolarHBondContact O-OG 2.67Å; N53-S56 PolarHBondContact OD1-OG 2.92Å |
| 57 | S | 47.5 | Very low | 53.8 | Low | 52 Ų | 52 | 101.8 Ų | 101.8 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | trans | -38.6 | 126.1 | 170.1 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | C59 N60 H61 | S57-C59 PolarHBondContact O-N 3.08Å; S57-C59 PolarHBondContact OG-N 2.63Å; S57-N60 WeakPolarHBondContact O-CA 3.45Å; S57-N60 VanDerWaalsContact O-CB 3.31Å; S57-N60 WeakPolarHBondContact O-CB 3.44Å; S57-N60 PolarHBondContact O-N 2.69Å; S57-H61 PolarHBondContact O-N 3.46Å | ||
| 58 | P | 51.8 | Low | 52.7 | Low | 109 Ų | 109 | 102 Ų | 102 | 71% | 0.708 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -22.1 | -177 | 21.5 | -32.1 | 0 | 0 | 0 | 112.4 | N60 H61 L62 | P58-N60 VanDerWaalsContact C-N 3.34Å; P58-H61 PolarHBondContact O-N 3.45Å; P58-L62 PolarHBondContact O-N 2.91Å; P58-L62 VanDerWaalsContact O-N 3.17Å |
| 59 | C | 45.2 | Very low | 51.6 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -37.8 | 170.9 | -158.3 | 0 | 0 | 0 | 0 | 112.3 | S57 L62 M63 | S57-C59 PolarHBondContact O-N 3.08Å; S57-C59 PolarHBondContact OG-N 2.63Å; C59-L62 PolarHBondContact O-N 3.38Å; C59-M63 WeakPolarHBondContact O-CB 3.33Å; C59-M63 WeakPolarHBondContact O-CG 3.39Å; C59-M63 PolarHBondContact O-N 3.01Å |
| 60 | N | 48.9 | Very low | 51 | Low | 95 Ų | 95 | 105.4 Ų | 105.4 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.8 | -36.7 | 178 | -64.6 | -8.6 | 0 | 0 | 0 | 111.6 | S57 P58 M63 T64 | S57-N60 WeakPolarHBondContact O-CA 3.45Å; S57-N60 VanDerWaalsContact O-CB 3.31Å; S57-N60 WeakPolarHBondContact O-CB 3.44Å; S57-N60 PolarHBondContact O-N 2.69Å; P58-N60 VanDerWaalsContact C-N 3.34Å; N60-M63 PolarHBondContact O-N 3.02Å; N60-T64 WeakPolarHBondContact O-CB 3.13Å; N60-T64 PolarHBondContact O-N 3.41Å; N60-T64 PolarHBondContact O-OG1 3.19Å |
| 61 | H | 52.1 | Low | 50.3 | Low | 117 Ų | 117 | 107.4 Ų | 107.4 | 54% | 0.542 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.9 | -41.9 | 177.6 | -156.8 | 73.3 | 0 | 0 | 0 | 111.6 | S57 P58 T64 L65 | S57-H61 PolarHBondContact O-N 3.46Å; P58-H61 PolarHBondContact O-N 3.45Å; H61-T64 PolarHBondContact O-N 3.47Å; H61-L65 PolarHBondContact O-N 2.9Å; H61-L65 VanDerWaalsContact O-N 3.07Å |
| 62 | L | 53.9 | Low | 49.7 | Very low | 98 Ų | 98 | 109 Ų | 109 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.3 | -38.2 | 174.8 | -123.7 | 160 | 0 | 0 | 0 | 112.5 | P58 C59 R66 | P58-L62 PolarHBondContact O-N 2.91Å; P58-L62 VanDerWaalsContact O-N 3.17Å; C59-L62 PolarHBondContact O-N 3.38Å; L62-R66 WeakPolarHBondContact O-CB 3.19Å; L62-R66 WeakPolarHBondContact O-CG 3.5Å; L62-R66 PolarHBondContact O-N 2.85Å; L62-R66 VanDerWaalsContact O-N 3.16Å |
| 63 | M | 46.8 | Very low | 48.9 | Very low | 96 Ų | 96 | 109.3 Ų | 109.3 | 47% | 0.473 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.7 | -46.4 | 169.4 | -77.5 | -66.1 | -168.5 | 0 | 0 | 111.6 | C59 N60 L65 R66 F67 | C59-M63 WeakPolarHBondContact O-CB 3.33Å; C59-M63 WeakPolarHBondContact O-CG 3.39Å; C59-M63 PolarHBondContact O-N 3.01Å; N60-M63 PolarHBondContact O-N 3.02Å; M63-L65 PolarHBondContact O-N 3.17Å; M63-R66 PolarHBondContact O-N 3.26Å; M63-R66 VanDerWaalsContact O-N 3.15Å; M63-F67 HydrophobicContact CB-CD2 4.21Å; M63-F67 HydrophobicContact CB-CE2 4.17Å; M63-F67 WeakPolarHBondContact O-CD2 3.41Å; M63-F67 PolarHBondContact O-N 2.72Å; M63-F67 HydrophobicContact SD-CE2 3.81Å; M63-F67 HydrophobicContact SD-CZ 4.48Å |
| 64 | T | 54.1 | Low | 48.1 | Very low | 71 Ų | 71 | 110.8 Ų | 110.8 | 44% | 0.436 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.9 | -43.7 | -176.7 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | N60 H61 F67 Q68 | N60-T64 WeakPolarHBondContact O-CB 3.13Å; N60-T64 PolarHBondContact O-N 3.41Å; N60-T64 PolarHBondContact O-OG1 3.19Å; H61-T64 PolarHBondContact O-N 3.47Å; T64-F67 PolarHBondContact O-N 3.31Å; T64-Q68 WeakPolarHBondContact O-CG 3.32Å; T64-Q68 PolarHBondContact O-N 2.8Å |
| 65 | L | 49.8 | Very low | 47.5 | Very low | 91 Ų | 91 | 114.2 Ų | 114.2 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.4 | -38.3 | 175.7 | -69.3 | 170.8 | 0 | 0 | 0 | 112.5 | H61 M63 Q68 L69 | H61-L65 PolarHBondContact O-N 2.9Å; H61-L65 VanDerWaalsContact O-N 3.07Å; M63-L65 PolarHBondContact O-N 3.17Å; L65-Q68 PolarHBondContact O-N 2.98Å; L65-L69 PolarHBondContact O-N 2.64Å |
| 66 | R | 46.6 | Very low | 46.8 | Very low | 170 Ų | 170 | 112.2 Ų | 112.2 | 64% | 0.642 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.3 | -38.6 | 175 | -74.1 | 178.2 | 177.7 | -174.5 | 0.5 | 112.4 | L62 M63 L69 V70 | L62-R66 WeakPolarHBondContact O-CB 3.19Å; L62-R66 WeakPolarHBondContact O-CG 3.5Å; L62-R66 PolarHBondContact O-N 2.85Å; L62-R66 VanDerWaalsContact O-N 3.16Å; M63-R66 PolarHBondContact O-N 3.26Å; M63-R66 VanDerWaalsContact O-N 3.15Å; R66-L69 PolarHBondContact O-N 2.87Å; R66-V70 WeakPolarHBondContact O-CG2 3.22Å; R66-V70 PolarHBondContact O-N 3.07Å |
| 67 | F | 47.1 | Very low | 46 | Very low | 122 Ų | 122 | 113.3 Ų | 113.3 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.9 | -28.3 | 176.8 | -76 | -63.1 | 0 | 0 | 0 | 113.5 | M63 T64 V70 K71 | M63-F67 HydrophobicContact CB-CD2 4.21Å; M63-F67 HydrophobicContact CB-CE2 4.17Å; M63-F67 WeakPolarHBondContact O-CD2 3.41Å; M63-F67 PolarHBondContact O-N 2.72Å; M63-F67 HydrophobicContact SD-CE2 3.81Å; M63-F67 HydrophobicContact SD-CZ 4.48Å; T64-F67 PolarHBondContact O-N 3.31Å; F67-V70 PolarHBondContact O-N 2.93Å; F67-K71 WeakPolarHBondContact O-CB 3.21Å; F67-K71 WeakPolarHBondContact O-CG 3.22Å; F67-K71 PolarHBondContact O-N 3.15Å |
| 68 | Q | 51 | Low | 45.4 | Very low | 134 Ų | 134 | 117.1 Ų | 117.1 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.1 | -32.8 | 173.5 | -75.9 | 179.2 | 2.1 | 0 | 0 | 113 | T64 L65 | T64-Q68 WeakPolarHBondContact O-CG 3.32Å; T64-Q68 PolarHBondContact O-N 2.8Å; L65-Q68 PolarHBondContact O-N 2.98Å |
| 69 | L | 44.2 | Very low | 44.5 | Very low | 148 Ų | 148 | 116.9 Ų | 116.9 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.7 | -25.3 | 173.3 | -91.7 | 153.9 | 0 | 0 | 0 | 113.7 | L65 R66 | L65-L69 PolarHBondContact O-N 2.64Å; R66-L69 PolarHBondContact O-N 2.87Å |
| 70 | V | 51.7 | Low | 43.8 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -90.9 | -23.9 | 178.7 | 176 | 0 | 0 | 0 | 0 | 112.5 | R66 F67 Q72 | R66-V70 WeakPolarHBondContact O-CG2 3.22Å; R66-V70 PolarHBondContact O-N 3.07Å; F67-V70 PolarHBondContact O-N 2.93Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 3.01Å |
| 71 | K | 45.8 | Very low | 43.3 | Very low | 165 Ų | 165 | 120.7 Ų | 120.7 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | trans | -90.4 | 48 | 173.4 | -69.6 | -173.1 | 175.7 | -174.5 | 0 | 113.1 | F67 | F67-K71 WeakPolarHBondContact O-CB 3.21Å; F67-K71 WeakPolarHBondContact O-CG 3.22Å; F67-K71 PolarHBondContact O-N 3.15Å | ||
| 72 | Q | 45.6 | Very low | 42.4 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 78% | 0.78 | 69% | 0.692 | S | S | * | * | trans | -62.5 | 130.5 | 155.1 | -81.6 | -157.5 | -12.3 | 0 | 0 | 108 | V70 S74 | V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 3.01Å; Q72-S74 PolarHBondContact O-N 3.14Å; Q72-S74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | P | 40 | Very low | 41.8 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | trans | -64.1 | 120.9 | 176 | 26.3 | -32.4 | 0 | 0 | 0 | 108.5 | I75 | P73-I75 VanDerWaalsContact C-N 3.34Å; P73-I75 PolarHBondContact O-N 3.37Å | ||
| 74 | S | 35.7 | Very low | 41.1 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -64.6 | 95.1 | 167.3 | 51 | 0 | 0 | 0 | 0 | 108.4 | Q72 S76 | Q72-S74 PolarHBondContact O-N 3.14Å; Q72-S74 VanDerWaalsContact O-N 3.16Å; S74-S76 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 2.89Å | ||
| 75 | I | 40.1 | Very low | 40.3 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | -70.8 | 89.6 | 178.2 | -54.8 | 176.9 | 0 | 0 | 0 | 108.1 | P73 G77 | P73-I75 VanDerWaalsContact C-N 3.34Å; P73-I75 PolarHBondContact O-N 3.37Å; I75-G77 PolarHBondContact O-N 3.23Å | ||
| 76 | S | 34.2 | Very low | 39.5 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -89.3 | 99.4 | -178.9 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | S74 | S74-S76 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 2.89Å | ||
| 77 | G | 33.1 | Very low | 39.3 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | 86 | 176.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | I75 | I75-G77 PolarHBondContact O-N 3.23Š| ||
| 78 | P | 36.2 | Very low | 38.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | cis | -108.5 | -170.8 | -7.8 | 39.4 | -28.6 | 0 | 0 | 0 | 113 | ||||
| 79 | S | 32.1 | Very low | 38 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -64.1 | 156.8 | -173.2 | 49.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 80 | S | 30.7 | Very low | 37.8 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | 60.8 | 103.1 | 156.4 | 64 | 0 | 0 | 0 | 0 | 119 | ||||
| 81 | T | 38.3 | Very low | 37 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | -155.3 | 134.3 | 122.8 | 4.1 | 0 | 0 | 0 | 0 | 110 | L83 | T81-L83 PolarHBondContact O-N 2.9Š| |||
| 82 | K | 33.8 | Very low | 36.7 | Very low | 210 Ų | 210 | 138 Ų | 138 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -74.6 | 111.2 | 176.5 | -70.6 | 173.4 | 177.3 | 173.9 | 0 | 109.1 | ||||
| 83 | L | 39.9 | Very low | 36.3 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -129.8 | 129.6 | 154 | -78.3 | 176.3 | 0 | 0 | 0 | 109.3 | T81 | T81-L83 PolarHBondContact O-N 2.9Š| ||
| 84 | S | 34.2 | Very low | 36.2 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -95.1 | 156.8 | -167.1 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 85 | L | 35.3 | Very low | 36.4 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | 71.7 | 89.5 | 144 | -155.4 | 74.7 | 0 | 0 | 0 | 118.9 | ||||
| 86 | A | 34.5 | Very low | 36.3 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | -161.7 | 112.1 | 124.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P88 | A86-P88 WeakPolarHBondContact O-CD 3.44Š| |||
| 87 | K | 41 | Very low | 36.3 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -95.5 | 114.7 | 171.2 | -79.2 | 179.6 | 176.1 | 174.9 | 0 | 109.7 | R89 | K87-R89 PolarHBondContact O-N 2.9Š| ||
| 88 | P | 40.4 | Very low | 36.5 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -73.1 | 115.3 | 161 | 29.2 | -30.2 | 0 | 0 | 0 | 109 | A86 | A86-P88 WeakPolarHBondContact O-CD 3.44Š| ||
| 89 | R | 32 | Very low | 36.9 | Very low | 240 Ų | 240 | 155.2 Ų | 155.2 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -75.7 | 122.3 | 167.3 | -88.2 | 173.4 | 151.3 | 152.6 | -9.4 | 109 | K87 | K87-R89 PolarHBondContact O-N 2.9Š| ||
| 90 | S | 38.5 | Very low | 37.2 | Very low | 110 Ų | 110 | 158.3 Ų | 158.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -135.4 | 117.9 | 149.8 | 60.9 | 0 | 0 | 0 | 0 | 109.5 | I92 | S90-I92 PolarHBondContact O-N 2.69Š| ||
| 91 | T | 34.7 | Very low | 37.6 | Very low | 119 Ų | 119 | 160.9 Ų | 160.9 | 73% | 0.73 | 82% | 0.817 | S | S | * | * | trans | -89 | 101.2 | -173.2 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | Q93 | T91-Q93 HydrophobicContact CG2-CG 4.07Å; T91-Q93 PolarHBondContact O-N 3.14Å | ||
| 92 | I | 39.8 | Very low | 37.4 | Very low | 137 Ų | 137 | 164 Ų | 164 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | trans | -83 | 107 | 169.1 | -60.9 | 176.8 | 0 | 0 | 0 | 108.3 | S90 F94 | S90-I92 PolarHBondContact O-N 2.69Å; I92-F94 HydrophobicContact CG2-CD2 3.49Å; I92-F94 VanDerWaalsContact CG2-CD2 3.49Å; I92-F94 HydrophobicContact CG2-CE2 4.08Å; I92-F94 HydrophobicContact CG2-CG 4.46Å | ||
| 93 | Q | 37.1 | Very low | 37.5 | Very low | 143 Ų | 143 | 158.2 Ų | 158.2 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | -104.4 | 85.1 | 164 | -71.9 | -142.2 | 37.5 | 0 | 0 | 110.6 | T91 | T91-Q93 HydrophobicContact CG2-CG 4.07Å; T91-Q93 PolarHBondContact O-N 3.14Å | ||
| 94 | F | 39.3 | Very low | 37.4 | Very low | 196 Ų | 196 | 158.7 Ų | 158.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -93.6 | 81.6 | 156.9 | -78.7 | -70.3 | 0 | 0 | 0 | 109.3 | I92 | I92-F94 HydrophobicContact CG2-CD2 3.49Å; I92-F94 VanDerWaalsContact CG2-CD2 3.49Å; I92-F94 HydrophobicContact CG2-CE2 4.08Å; I92-F94 HydrophobicContact CG2-CG 4.46Å | ||
| 95 | K | 40.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 162.5 Ų | 162.5 | 70% | 0.7 | 80% | 0.796 | S | S | * | * | trans | -81.1 | 118.5 | 154 | -70.7 | -177.6 | -179.2 | 179.1 | 0 | 106.8 | ||||
| 96 | H | 37.3 | Very low | 37.4 | Very low | 186 Ų | 186 | 160.7 Ų | 160.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | 179.9 | 133.1 | 127.9 | -97.3 | -70 | 0 | 0 | 0 | 112.9 | |||||
| 97 | A | 34.6 | Very low | 37.3 | Very low | 89 Ų | 89 | 161.8 Ų | 161.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 56.9 | 68.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | K99 | A97-K99 PolarHBondContact O-N 3.33Š| ||
| 98 | R | 36.8 | Very low | 36.8 | Very low | 243 Ų | 243 | 155.3 Ų | 155.3 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -87.2 | 90 | 149.9 | -160.7 | 175.4 | -166.3 | 173.7 | 4.3 | 109.3 | Q100 | R98-Q100 PolarHBondContact O-N 2.85Å; R98-Q100 VanDerWaalsContact O-N 3.13Å | ||
| 99 | K | 43.6 | Very low | 36.5 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -60.8 | 113 | 172.5 | -83.4 | -176.4 | 174.3 | 179 | 0 | 109.4 | A97 I101 | A97-K99 PolarHBondContact O-N 3.33Å; K99-I101 PolarHBondContact O-N 3.11Å | ||
| 100 | Q | 39.8 | Very low | 36.5 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -75.9 | 109.4 | 166.7 | -71.1 | -170.4 | 5.7 | 0 | 0 | 109.1 | R98 R102 | R98-Q100 PolarHBondContact O-N 2.85Å; R98-Q100 VanDerWaalsContact O-N 3.13Å; Q100-R102 PolarHBondContact O-N 2.96Å | ||
| 101 | I | 38.9 | Very low | 36.1 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -84.3 | 99.1 | 162.1 | -62.6 | 177.4 | 0 | 0 | 0 | 106.8 | K99 S103 | K99-I101 PolarHBondContact O-N 3.11Å; I101-S103 PolarHBondContact O-N 3.22Å; I101-S103 VanDerWaalsContact O-N 3.17Å | ||
| 102 | R | 33 | Very low | 36 | Very low | 210 Ų | 210 | 156.5 Ų | 156.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -70.7 | 99.8 | 167.1 | -90.9 | 178.7 | 154.1 | -173.5 | -6.6 | 108.6 | Q100 | Q100-R102 PolarHBondContact O-N 2.96Š| ||
| 103 | S | 36.2 | Very low | 35.7 | Very low | 89 Ų | 89 | 154.7 Ų | 154.7 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | -76.7 | 118.9 | 158.8 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | I101 F105 | I101-S103 PolarHBondContact O-N 3.22Å; I101-S103 VanDerWaalsContact O-N 3.17Å; S103-F105 WeakPolarHBondContact OG-CD2 3.35Å; S103-F105 WeakPolarHBondContact OG-CE2 3.45Å | ||
| 104 | K | 37.4 | Very low | 35.4 | Very low | 185 Ų | 185 | 157.3 Ų | 157.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -90.6 | 111.6 | 168.6 | -69.8 | -176.2 | -179.5 | -179.4 | 0 | 107.6 | ||||
| 105 | F | 35.8 | Very low | 35.1 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -104 | 147.4 | 159.2 | -87.6 | -76.9 | 0 | 0 | 0 | 111.2 | S103 | S103-F105 WeakPolarHBondContact OG-CD2 3.35Å; S103-F105 WeakPolarHBondContact OG-CE2 3.45Å | ||
| 106 | V | 34.3 | Very low | 34.6 | Very low | 133 Ų | 133 | 158 Ų | 158 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | -82.4 | 144.9 | -155.7 | 171.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 107 | S | 32.3 | Very low | 34.6 | Very low | 117 Ų | 117 | 156 Ų | 156 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -18.4 | 136.7 | 159.5 | -172.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 108 | G | 31.8 | Very low | 34.5 | Very low | 67 Ų | 67 | 156 Ų | 156 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -172.1 | 78.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 109 | N | 32.8 | Very low | 34.4 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | 74.3 | 95.8 | 155.4 | -60.5 | -3.2 | 0 | 0 | 0 | 121.2 | ||||
| 110 | T | 32 | Very low | 33.9 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | 53.1 | 108.3 | 123.1 | -5.5 | 0 | 0 | 0 | 0 | 120.8 | F112 | T110-F112 HydrophobicContact CG2-CD2 3.84Å; T110-F112 HydrophobicContact CG2-CE2 4.07Å | |||
| 111 | I | 30.2 | Very low | 33.6 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -85.3 | 137.3 | 152.1 | -62.5 | 166 | 0 | 0 | 0 | 108.1 | ||||
| 112 | F | 33.1 | Very low | 33.4 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -131.5 | 151.6 | 159.9 | -107.7 | -81.2 | 0 | 0 | 0 | 111.8 | T110 | T110-F112 HydrophobicContact CG2-CD2 3.84Å; T110-F112 HydrophobicContact CG2-CE2 4.07Å | ||
| 113 | S | 33.1 | Very low | 33.8 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -96.1 | 135 | -158.4 | -58.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 114 | K | 30.1 | Very low | 34 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | 34.7 | 106 | 124.5 | -171.6 | -172.7 | -171.4 | 179.4 | 0 | 117.8 | |||||
| 115 | T | 33.9 | Very low | 34.1 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | -162.2 | 168.8 | 134.8 | 15.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 116 | R | 30.4 | Very low | 34.3 | Very low | 219 Ų | 219 | 147.4 Ų | 147.4 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -94.6 | 173.9 | -162.2 | -161.8 | -171.3 | -170.3 | 160.2 | 0.3 | 112.8 | ||||
| 117 | N | 35.8 | Very low | 34.3 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 87.1 | 147.5 | 165.7 | -46.3 | -23.5 | 0 | 0 | 0 | 114.5 | ||||
| 118 | A | 33.7 | Very low | 34.5 | Very low | 89 Ų | 89 | 150.8 Ų | 150.8 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | cis | 172.9 | 170.4 | -18.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 119 | S | 33.4 | Very low | 34.8 | Very low | 95 Ų | 95 | 155.1 Ų | 155.1 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | 76.6 | 112.4 | 167.9 | -91.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 120 | E | 33.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | 66.8 | 105.1 | 120.2 | -63.6 | 169.3 | 127 | 0 | 0 | 122 | |||||
| 121 | R | 34.6 | Very low | 34.9 | Very low | 240 Ų | 240 | 154.3 Ų | 154.3 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | 173.2 | 111.2 | 106.2 | -90.9 | 167.6 | -177.9 | -162.7 | -0.6 | 107.7 | |||||
| 122 | S | 35.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | 85.2 | 132 | 80.8 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 123 | P | 41.4 | Very low | 35.4 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -106.3 | 169.3 | -153.8 | 40.7 | -35 | 0 | 0 | 0 | 114 | ||||
| 124 | D | 39.4 | Very low | 35.7 | Very low | 153 Ų | 153 | 152 Ų | 152 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -139.7 | 160.6 | 151.2 | -115 | -40.2 | 0 | 0 | 0 | 112.8 | ||||
| 125 | K | 40.4 | Very low | 36 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | trans | -93.5 | 152.2 | -159.1 | -55.4 | 143.3 | -178.8 | 163 | 0 | 112.4 | ||||
| 126 | E | 38.8 | Very low | 36.3 | Very low | 192 Ų | 192 | 152.4 Ų | 152.4 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -151 | 143.2 | 130.2 | -121.8 | 169.1 | -154 | 0 | 0 | 111.4 | ||||
| 127 | V | 34.4 | Very low | 36.7 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 70% | 0.697 | 80% | 0.799 | S | S | * | * | trans | -126.6 | 122.6 | -172.1 | 171.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 128 | F | 37.4 | Very low | 36.8 | Very low | 205 Ų | 205 | 148.7 Ų | 148.7 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | trans | -136.3 | 114.3 | 156.7 | -95.1 | -80.3 | 0 | 0 | 0 | 110.8 | ||||
| 129 | K | 36.8 | Very low | 37 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -108.7 | 132.9 | 166.5 | -99.9 | -173.8 | 158.2 | -122.1 | 0 | 108.2 | D131 | K129-D131 IonicContact NZ-OD2 2.69Å; K129-D131 PolarHBondContact NZ-OD2 2.96Å | ||
| 130 | C | 35.5 | Very low | 36.9 | Very low | 129 Ų | 129 | 155 Ų | 155 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -134.4 | 97.6 | 154.3 | -70.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 131 | D | 31.4 | Very low | 37.1 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 63% | 0.631 | 81% | 0.811 | S | S | * | * | trans | -85.1 | 135 | 166.2 | -69.7 | -60.2 | 0 | 0 | 0 | 108.8 | K129 | K129-D131 IonicContact NZ-OD2 2.69Å; K129-D131 PolarHBondContact NZ-OD2 2.96Å | ||
| 132 | S | 40.9 | Very low | 37.2 | Very low | 126 Ų | 126 | 146 Ų | 146 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | -163.9 | 103.3 | 160.6 | -82.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 133 | N | 33.6 | Very low | 36.9 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -92 | 137 | 167.8 | -76.2 | -38.5 | 0 | 0 | 0 | 110.5 | ||||
| 134 | S | 40.2 | Very low | 36.7 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -172.1 | 96.4 | 149.2 | 40.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 135 | N | 36.4 | Very low | 36.2 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 34.3 | 143.8 | 128.2 | -63.2 | -21.6 | 0 | 0 | 0 | 124.2 | |||||
| 136 | K | 38.8 | Very low | 36 | Very low | 203 Ų | 203 | 152 Ų | 152 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | 78.5 | 138.5 | 164 | -62.6 | 172.4 | 178.1 | 178 | 0 | 114.7 | ||||
| 137 | T | 40.2 | Very low | 35.7 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | cis | -138.5 | 157.4 | 34.3 | 42.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 138 | N | 36.3 | Very low | 35.6 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -76.7 | 146.6 | 166.6 | -74.7 | -11.4 | 0 | 0 | 0 | 111.5 | ||||
| 139 | V | 38.4 | Very low | 35.2 | Very low | 142 Ų | 142 | 153.3 Ų | 153.3 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -136.7 | 124.2 | 147.3 | 179.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 140 | E | 31.5 | Very low | 34.7 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -122.7 | 123.2 | -180 | 176.6 | 176.5 | -174.7 | 0 | 0 | 109 | ||||
| 141 | S | 37.6 | Very low | 34.4 | Very low | 101 Ų | 101 | 150.1 Ų | 150.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -160.6 | 109.1 | 156.8 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 142 | T | 35.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | 92.9 | 96.3 | 80.3 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 143 | Y | 30.8 | Very low | 33.7 | Very low | 198 Ų | 198 | 151 Ų | 151 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 33.3 | 117.2 | 145.7 | -75.8 | -97.6 | 0 | 0 | 0 | 120.8 | ||||
| 144 | E | 35.7 | Very low | 33.5 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | -132.9 | 147.4 | 130 | -91.4 | -136.9 | 128.9 | 0 | 0 | 111.9 | |||||
| 145 | N | 30.3 | Very low | 33.2 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | trans | -95.5 | 112.8 | -167 | -77.5 | -86.5 | 0 | 0 | 0 | 112.3 | ||||
| 146 | H | 35.3 | Very low | 32.9 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -124.3 | 103.4 | 158.3 | -82.2 | -60.2 | 0 | 0 | 0 | 112.9 | Q148 | H146-Q148 PolarHBondContact O-N 2.83Š| ||
| 147 | K | 33.7 | Very low | 32.4 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 74% | 0.735 | 76% | 0.759 | S | S | * | * | trans | -53.1 | 114.5 | 179.8 | -61.4 | 171.3 | -179.9 | 176.2 | 0 | 111.4 | Y149 | K147-Y149 HydrophobicContact CB-CD2 4.37Å; K147-Y149 HydrophobicContact CB-CE2 4.41Å; K147-Y149 HydrophobicContact CD-CE2 4.45Å; K147-Y149 PolarHBondContact O-N 3.48Å; K147-Y149 VanDerWaalsContact O-N 3.11Å | ||
| 148 | Q | 31.8 | Very low | 31.9 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -66.7 | 106.9 | 152.2 | -96.4 | -176.6 | -15.9 | 0 | 0 | 107.7 | H146 V150 | H146-Q148 PolarHBondContact O-N 2.83Å; Q148-V150 PolarHBondContact O-N 2.88Å | ||
| 149 | Y | 27.8 | Very low | 31.9 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 74% | 0.737 | 75% | 0.749 | S | S | * | * | trans | -65.5 | 99.8 | 164.9 | -89.5 | -95.1 | 0 | 0 | 0 | 108.2 | K147 V151 | K147-Y149 HydrophobicContact CB-CD2 4.37Å; K147-Y149 HydrophobicContact CB-CE2 4.41Å; K147-Y149 HydrophobicContact CD-CE2 4.45Å; K147-Y149 PolarHBondContact O-N 3.48Å; K147-Y149 VanDerWaalsContact O-N 3.11Å; Y149-V151 PolarHBondContact O-N 2.94Å | ||
| 150 | V | 28 | Very low | 31.4 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -65.8 | 85.1 | 160.6 | -179.3 | 0 | 0 | 0 | 0 | 106.6 | Q148 N152 | Q148-V150 PolarHBondContact O-N 2.88Å; V150-N152 PolarHBondContact O-N 3.49Å | ||
| 151 | V | 28 | Very low | 31.2 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | trans | -72.4 | 100.1 | 171 | -177.3 | 0 | 0 | 0 | 0 | 106.4 | Y149 T153 | Y149-V151 PolarHBondContact O-N 2.94Å; V151-T153 HydrophobicContact CG1-CG2 4Å; V151-T153 PolarHBondContact O-N 3.32Å | ||
| 152 | N | 27.3 | Very low | 31.1 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | -62.3 | 80.3 | 166 | -71.7 | -22.9 | 0 | 0 | 0 | 109 | V150 S154 | V150-N152 PolarHBondContact O-N 3.49Å; N152-S154 PolarHBondContact O-N 3.32Å; N152-S154 VanDerWaalsContact O-N 3.13Å | ||
| 153 | T | 30.3 | Very low | 30.8 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -69.4 | 107.1 | 163.5 | 48.7 | 0 | 0 | 0 | 0 | 106.9 | V151 Q155 | V151-T153 HydrophobicContact CG1-CG2 4Å; V151-T153 PolarHBondContact O-N 3.32Å; T153-Q155 PolarHBondContact O-N 2.78Å | ||
| 154 | S | 30.5 | Very low | 30.8 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -50.9 | 131.5 | 178 | 39.8 | 0 | 0 | 0 | 0 | 110.3 | N152 N156 | N152-S154 PolarHBondContact O-N 3.32Å; N152-S154 VanDerWaalsContact O-N 3.13Å; S154-N156 PolarHBondContact O-N 3.37Å | ||
| 155 | Q | 32.3 | Very low | 30.8 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | -59.4 | 106.3 | 168.9 | -68.5 | 177.5 | -8.1 | 0 | 0 | 107.3 | T153 T157 | T153-Q155 PolarHBondContact O-N 2.78Å; Q155-T157 HydrophobicContact CB-CG2 4.23Å; Q155-T157 PolarHBondContact O-N 2.93Å | ||
| 156 | N | 30.2 | Very low | 30.8 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | trans | -75.3 | 81.3 | 175.4 | -167.7 | -8.2 | 0 | 0 | 0 | 108.1 | S154 S158 | S154-N156 PolarHBondContact O-N 3.37Å; N156-S158 PolarHBondContact O-N 3.19Å | ||
| 157 | T | 30.2 | Very low | 30.6 | Very low | 89 Ų | 89 | 144 Ų | 144 | 55% | 0.546 | 73% | 0.734 | S | S | . | * | trans | -70.8 | 77.2 | 178.9 | 51.9 | 0 | 0 | 0 | 0 | 110 | Q155 H159 | Q155-T157 HydrophobicContact CB-CG2 4.23Å; Q155-T157 PolarHBondContact O-N 2.93Å; T157-H159 PolarHBondContact O-N 3.2Å | ||
| 158 | S | 29.6 | Very low | 30.4 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -73.2 | 46.9 | 165.1 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | N156 I160 | N156-S158 PolarHBondContact O-N 3.19Å; S158-I160 PolarHBondContact O-N 2.81Å | ||
| 159 | H | 35.1 | Very low | 30.3 | Very low | 154 Ų | 154 | 150.8 Ų | 150.8 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -68 | 89.1 | 158.5 | -69.3 | -58.3 | 0 | 0 | 0 | 107.6 | T157 C161 | T157-H159 PolarHBondContact O-N 3.2Å; H159-C161 PolarHBondContact O-N 3.21Å | ||
| 160 | I | 27.8 | Very low | 30.4 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | -67.9 | 84.7 | 160.9 | -58 | -179.7 | 0 | 0 | 0 | 106.5 | S158 L162 | S158-I160 PolarHBondContact O-N 2.81Å; I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 HydrophobicContact CG2-CD2 3.96Å; I160-L162 HydrophobicContact CG2-CG 4.12Å; I160-L162 PolarHBondContact O-N 2.96Å | ||
| 161 | C | 27.6 | Very low | 30.7 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -64.4 | 92.2 | 169.1 | -90.3 | 0 | 0 | 0 | 0 | 108.6 | H159 R163 | H159-C161 PolarHBondContact O-N 3.21Å; C161-R163 PolarHBondContact O-N 3.11Å | ||
| 162 | L | 35.8 | Very low | 30.9 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -73.6 | 55.4 | 162.6 | -63.9 | -178.6 | 0 | 0 | 0 | 110.7 | I160 L165 | I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 HydrophobicContact CG2-CD2 3.96Å; I160-L162 HydrophobicContact CG2-CG 4.12Å; I160-L162 PolarHBondContact O-N 2.96Å; L162-L165 HydrophobicContact CD2-CD1 4.48Å | ||
| 163 | R | 29.5 | Very low | 31.2 | Very low | 214 Ų | 214 | 150 Ų | 150 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -87.9 | 134 | 152.9 | -92.8 | -179.2 | 168.5 | 146.9 | -2.9 | 106.8 | C161 | C161-R163 PolarHBondContact O-N 3.11Š| ||
| 164 | N | 29.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | 74.7 | 55.7 | 169.2 | -47.1 | -14 | 0 | 0 | 0 | 116.7 | Y166 | N164-Y166 HydrophobicContact CB-CD2 4.27Å; N164-Y166 HydrophobicContact CB-CE2 3.97Å | ||
| 165 | L | 36.4 | Very low | 31.3 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -100.5 | 94.3 | 147.3 | -83.8 | 171.9 | 0 | 0 | 0 | 109.4 | L162 | L162-L165 HydrophobicContact CD2-CD1 4.48Š| ||
| 166 | Y | 29.4 | Very low | 31.4 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | -64.9 | 142.4 | -179.3 | -79.1 | -98.7 | 0 | 0 | 0 | 112.5 | N164 R168 | N164-Y166 HydrophobicContact CB-CD2 4.27Å; N164-Y166 HydrophobicContact CB-CE2 3.97Å; Y166-R168 PolarHBondContact O-N 2.54Å | ||
| 167 | H | 31.5 | Very low | 31.7 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | 25.8 | 91.1 | 151.1 | -53 | -48.9 | 0 | 0 | 0 | 118.4 | ||||
| 168 | R | 30 | Very low | 32 | Very low | 251 Ų | 251 | 153.8 Ų | 153.8 | 95% | 0.947 | 77% | 0.765 | S | S | * | * | trans | -122.2 | 115.3 | 139.1 | -83.8 | -163.7 | 169.6 | -162 | -2.2 | 110.7 | Y166 N170 | Y166-R168 PolarHBondContact O-N 2.54Å; R168-N170 PolarHBondContact O-N 3.33Å | ||
| 169 | R | 29.5 | Very low | 32.1 | Very low | 244 Ų | 244 | 157.3 Ų | 157.3 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -61 | 126.8 | 176.1 | -66 | 170 | 169.6 | 132.6 | -6.1 | 109.4 | ||||
| 170 | N | 29.5 | Very low | 32.1 | Very low | 148 Ų | 148 | 158.1 Ų | 158.1 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -115.9 | 124 | 146.5 | -86.5 | -40.7 | 0 | 0 | 0 | 106.2 | R168 T172 | R168-N170 PolarHBondContact O-N 3.33Å; N170-T172 PolarHBondContact O-N 3.12Å; N170-T172 VanDerWaalsContact O-N 3.11Å | ||
| 171 | P | 33.7 | Very low | 32.3 | Very low | 112 Ų | 112 | 159.1 Ų | 159.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -72 | 106.7 | -179.8 | 28.5 | -32.2 | 0 | 0 | 0 | 109.5 | N173 | P171-N173 PolarHBondContact O-N 3.3Å; P171-N173 VanDerWaalsContact O-N 3.15Å | ||
| 172 | T | 32.5 | Very low | 32.7 | Very low | 128 Ų | 128 | 159 Ų | 159 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 107.9 | 167.4 | -29.7 | 0 | 0 | 0 | 0 | 107.7 | N170 Q174 | N170-T172 PolarHBondContact O-N 3.12Å; N170-T172 VanDerWaalsContact O-N 3.11Å; T172-Q174 PolarHBondContact O-N 3.4Å | ||
| 173 | N | 33.2 | Very low | 32.6 | Very low | 148 Ų | 148 | 158.9 Ų | 158.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -60.4 | 100.2 | 170.9 | -77.4 | -18.3 | 0 | 0 | 0 | 108.8 | P171 I175 | P171-N173 PolarHBondContact O-N 3.3Å; P171-N173 VanDerWaalsContact O-N 3.15Å; N173-I175 PolarHBondContact O-N 2.82Å; N173-I175 VanDerWaalsContact O-N 3.08Å | ||
| 174 | Q | 32.2 | Very low | 33 | Very low | 180 Ų | 180 | 155.5 Ų | 155.5 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -72.3 | 99.1 | 168.5 | -69.9 | -171 | 6.8 | 0 | 0 | 107.8 | T172 N176 | T172-Q174 PolarHBondContact O-N 3.4Å; Q174-N176 PolarHBondContact O-N 3.08Å | ||
| 175 | I | 31.9 | Very low | 33.1 | Very low | 155 Ų | 155 | 157.6 Ų | 157.6 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | trans | -69.8 | 89.5 | 162.6 | -61.3 | 174.7 | 0 | 0 | 0 | 106 | N173 | N173-I175 PolarHBondContact O-N 2.82Å; N173-I175 VanDerWaalsContact O-N 3.08Å | ||
| 176 | N | 34.4 | Very low | 33.2 | Very low | 123 Ų | 123 | 154 Ų | 154 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | trans | -72.6 | 126.3 | 173.5 | -172.5 | 6.2 | 0 | 0 | 0 | 108.7 | Q174 N178 | Q174-N176 PolarHBondContact O-N 3.08Å; N176-N178 PolarHBondContact O-N 2.79Å | ||
| 177 | V | 36.7 | Very low | 33.5 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -83 | 64.2 | -178 | -167 | 0 | 0 | 0 | 0 | 109.1 | ||
| 178 | N | 36.5 | Very low | 33.8 | Very low | 130 Ų | 130 | 153.5 Ų | 153.5 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -167.6 | 118.9 | 166.4 | -93 | -36.1 | 0 | 0 | 0 | 110.1 | N176 Q180 | N176-N178 PolarHBondContact O-N 2.79Å; N178-Q180 VanDerWaalsContact C-N 3.34Å; N178-Q180 PolarHBondContact O-N 3.05Å |
| 179 | N | 31.6 | Very low | 34 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 94% | 0.941 | 78% | 0.784 | S | S | * | * | trans | -72.7 | 79.1 | -179.7 | -70.5 | -17.4 | 0 | 0 | 0 | 111.8 | ||||
| 180 | Q | 34.9 | Very low | 34 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -131 | 110 | 162.4 | -68.9 | -164 | 33 | 0 | 0 | 110.4 | N178 V182 | N178-Q180 VanDerWaalsContact C-N 3.34Å; N178-Q180 PolarHBondContact O-N 3.05Å; Q180-V182 HydrophobicContact CB-CG2 4.39Å; Q180-V182 PolarHBondContact O-N 2.91Å | ||
| 181 | L | 31.1 | Very low | 34.3 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -67.6 | 113.7 | 167.4 | -154.2 | 89.1 | 0 | 0 | 0 | 107 | ||||
| 182 | V | 36.9 | Very low | 34.3 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | trans | -127.8 | 86.5 | 173.1 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | Q180 N184 | Q180-V182 HydrophobicContact CB-CG2 4.39Å; Q180-V182 PolarHBondContact O-N 2.91Å; V182-N184 VanDerWaalsContact CG1-ND2 3.33Å; V182-N184 WeakPolarHBondContact CG1-ND2 3.45Å; V182-N184 PolarHBondContact O-N 3.42Å | ||
| 183 | D | 34.3 | Very low | 34.2 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 125.8 | 160.7 | -70 | -50 | 0 | 0 | 0 | 107.9 | ||||
| 184 | N | 37.5 | Very low | 34.3 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -128 | 103.9 | 170.9 | -95.1 | -46.7 | 0 | 0 | 0 | 108.4 | V182 | V182-N184 VanDerWaalsContact CG1-ND2 3.33Å; V182-N184 WeakPolarHBondContact CG1-ND2 3.45Å; V182-N184 PolarHBondContact O-N 3.42Å | ||
| 185 | D | 31.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -54.7 | 144.4 | 173.2 | -86 | -58.7 | 0 | 0 | 0 | 112.9 | ||||
| 186 | A | 37.5 | Very low | 34.3 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -149 | 94 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 187 | N | 35.7 | Very low | 34.1 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 62.5 | 103.3 | 160.6 | -64.4 | -45.6 | 0 | 0 | 0 | 117.9 | ||||
| 188 | K | 38.5 | Very low | 33.9 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | -176.8 | 128.3 | 95.7 | -95 | 164.1 | -171.5 | -172.5 | 0 | 114.6 | |||||
| 189 | Q | 34.7 | Very low | 33.8 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 76.4 | 94.1 | 138 | -70.1 | 177.8 | -22.5 | 0 | 0 | 121.3 | ||||
| 190 | T | 30.1 | Very low | 33.6 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 83.1 | 131.3 | 126.9 | 11 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 191 | L | 35 | Very low | 33.6 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | 70.8 | 91.6 | 160 | -51.5 | 171.5 | 0 | 0 | 0 | 115.7 | ||||
| 192 | S | 33.2 | Very low | 33.6 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 85.7 | 114.5 | 64.6 | -170.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 193 | S | 31.2 | Very low | 33.5 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 56.4 | 139.1 | 152.5 | 52 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 194 | S | 34.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | cis | -170.5 | 152.4 | -4.6 | 41.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 195 | D | 30.9 | Very low | 33.2 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 30.3 | 123.1 | 148.6 | -46.8 | -35.1 | 0 | 0 | 0 | 121.2 | ||||
| 196 | E | 34.3 | Very low | 33 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | -165.9 | 138.8 | 111 | -106.9 | 180 | -176.1 | 0 | 0 | 113 | |||||
| 197 | T | 28.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -78.6 | 156 | 175.4 | 30.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 198 | F | 33.2 | Very low | 32.7 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -160.4 | 152.3 | 135.5 | -97.3 | -63.8 | 0 | 0 | 0 | 114.6 | ||||
| 199 | E | 33.5 | Very low | 32.2 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -36.9 | 137 | -176.5 | -69.5 | 169.7 | 164.2 | 0 | 0 | 118.5 | ||||
| 200 | V | 29 | Very low | 32.2 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | 65.5 | 116.5 | 73 | 177.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 201 | N | 34.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -159.7 | 123.9 | 138.1 | -106.7 | -43.2 | 0 | 0 | 0 | 111.8 | ||||
| 202 | N | 30.1 | Very low | 32 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -97.8 | 132 | 177.9 | -76.7 | -49.3 | 0 | 0 | 0 | 110.5 | ||||
| 203 | L | 35.4 | Very low | 31.9 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | -134.2 | 101.4 | 161 | -84.2 | 173.6 | 0 | 0 | 0 | 110.9 | ||||
| 204 | S | 30.4 | Very low | 32.1 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | 15.8 | 122.6 | 145.4 | -167.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 205 | L | 34.6 | Very low | 32.1 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | 177.3 | 102 | 123.1 | -94 | 157.7 | 0 | 0 | 0 | 111.4 | |||||
| 206 | D | 27.1 | Very low | 32.6 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -75.2 | 164.7 | 151.8 | -103.4 | -36.1 | 0 | 0 | 0 | 109.1 | ||||
| 207 | P | 36.5 | Very low | 32.8 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | cis | -141.8 | -162.2 | 21.3 | 32.8 | -7.8 | 0 | 0 | 0 | 115.6 | ||||
| 208 | V | 31.9 | Very low | 33.5 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | trans | 107.3 | 108.8 | 154.6 | -171.1 | 0 | 0 | 0 | 0 | 116.5 | F210 | V208-F210 HydrophobicContact CG1-CD2 4.19Å; V208-F210 HydrophobicContact CG1-CE2 4.06Å; V208-F210 PolarHBondContact O-N 2.88Å | ||
| 209 | S | 27.8 | Very low | 33.7 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -67.3 | 122.2 | 173.6 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 210 | F | 34.1 | Very low | 34 | Very low | 156 Ų | 156 | 153.5 Ų | 153.5 | 68% | 0.684 | 82% | 0.817 | S | S | * | * | trans | -119.9 | 109.1 | 161.7 | -92.3 | -82.2 | 0 | 0 | 0 | 111.2 | V208 Y212 | V208-F210 HydrophobicContact CG1-CD2 4.19Å; V208-F210 HydrophobicContact CG1-CE2 4.06Å; V208-F210 PolarHBondContact O-N 2.88Å; F210-Y212 HydrophobicContact CB-CD2 4.05Å; F210-Y212 HydrophobicContact CB-CE2 4.11Å; F210-Y212 HydrophobicContact CD1-CD2 4.5Å; F210-Y212 AromaticContact CD1-CE2 3.78Å; F210-Y212 HydrophobicContact CD1-CE2 3.78Å; F210-Y212 HydrophobicContact CG-CE2 4.27Å; F210-Y212 PolarHBondContact O-N 3.41Å; F210-Y212 VanDerWaalsContact O-N 3.13Å | ||
| 211 | N | 28.1 | Very low | 34.4 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -69.4 | 102.8 | 170 | -83.6 | -48.6 | 0 | 0 | 0 | 110.3 | ||||
| 212 | Y | 33 | Very low | 34.3 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -117.6 | 112.2 | 165.6 | -82.5 | -77.5 | 0 | 0 | 0 | 111.4 | F210 R214 | F210-Y212 HydrophobicContact CB-CD2 4.05Å; F210-Y212 HydrophobicContact CB-CE2 4.11Å; F210-Y212 HydrophobicContact CD1-CD2 4.5Å; F210-Y212 AromaticContact CD1-CE2 3.78Å; F210-Y212 HydrophobicContact CD1-CE2 3.78Å; F210-Y212 HydrophobicContact CG-CE2 4.27Å; F210-Y212 PolarHBondContact O-N 3.41Å; F210-Y212 VanDerWaalsContact O-N 3.13Å; Y212-R214 PolarHBondContact O-N 3.37Å | ||
| 213 | S | 31.7 | Very low | 34.7 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -62.8 | 113 | 174.6 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | R215 | S213-R215 PolarHBondContact O-N 2.87Š| ||
| 214 | R | 34.9 | Very low | 34.6 | Very low | 242 Ų | 242 | 150.2 Ų | 150.2 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 114.5 | -180 | -66.4 | -177.6 | 178.2 | -171.3 | -0.4 | 110.8 | Y212 | Y212-R214 PolarHBondContact O-N 3.37Š| ||
| 215 | R | 35.2 | Very low | 35.1 | Very low | 230 Ų | 230 | 152.7 Ų | 152.7 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 138.5 | 150.8 | -102.4 | -174 | 173.2 | -173.4 | -1.3 | 108.9 | S213 T217 | S213-R215 PolarHBondContact O-N 2.87Å; R215-T217 PolarHBondContact O-N 3.32Å |
| 216 | P | 40.3 | Very low | 35.2 | Very low | 130 Ų | 130 | 154 Ų | 154 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74 | 116.1 | 178.7 | -11.6 | 27.4 | 0 | 0 | 0 | 110.7 | ||
| 217 | T | 39.4 | Very low | 35.4 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 120.4 | 166.8 | -48.5 | 0 | 0 | 0 | 0 | 108.4 | R215 | R215-T217 PolarHBondContact O-N 3.32Š|
| 218 | L | 42.9 | Very low | 35.4 | Very low | 166 Ų | 166 | 153.9 Ų | 153.9 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 136.7 | 173.3 | -80.6 | 168.2 | 0 | 0 | 0 | 110.2 | T220 | L218-T220 PolarHBondContact O-N 3.34Š|
| 219 | M | 37.4 | Very low | 35.5 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.1 | -172.3 | -64.5 | 174.9 | 68.6 | 0 | 0 | 111.9 | A221 | M219-A221 PolarHBondContact O-N 3.09Š|
| 220 | T | 39.3 | Very low | 35.9 | Very low | 137 Ų | 137 | 155.3 Ų | 155.3 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 124.6 | 165.1 | -50.5 | 0 | 0 | 0 | 0 | 109.3 | L218 S222 | L218-T220 PolarHBondContact O-N 3.34Å; T220-S222 PolarHBondContact O-N 2.69Å |
| 221 | A | 37.7 | Very low | 35.8 | Very low | 87 Ų | 87 | 154.9 Ų | 154.9 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 121.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | M219 N223 | M219-A221 PolarHBondContact O-N 3.09Å; A221-N223 PolarHBondContact O-N 3.11Å |
| 222 | S | 33.5 | Very low | 36.2 | Very low | 87 Ų | 87 | 153.4 Ų | 153.4 | 61% | 0.608 | 82% | 0.818 | S | S | * | * | trans | -80.4 | 109.9 | 179.2 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | T220 Y224 | T220-S222 PolarHBondContact O-N 2.69Å; S222-Y224 PolarHBondContact O-N 2.89Å | ||
| 223 | N | 38.1 | Very low | 36.2 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -80.6 | 90.4 | 164.2 | -77.3 | -33 | 0 | 0 | 0 | 109.8 | A221 L225 | A221-N223 PolarHBondContact O-N 3.11Å; N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 3.15Å | ||
| 224 | Y | 32.7 | Very low | 36.4 | Very low | 210 Ų | 210 | 151.3 Ų | 151.3 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -70.4 | 85.8 | 167.6 | -84.1 | -88.3 | 0 | 0 | 0 | 110.5 | S222 | S222-Y224 PolarHBondContact O-N 2.89Š| ||
| 225 | L | 40.8 | Very low | 36.4 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -92.7 | 104.9 | 157.8 | -95.1 | 108.5 | 0 | 0 | 0 | 109.5 | N223 S227 | N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 3.15Å; L225-S227 PolarHBondContact O-N 2.81Å; L225-S227 VanDerWaalsContact O-N 3.07Å | ||
| 226 | K | 35.9 | Very low | 36.6 | Very low | 194 Ų | 194 | 143 Ų | 143 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -59.5 | 105.7 | 169.4 | -89.1 | 172 | 168.5 | 171.5 | 0 | 110.2 | N228 | K226-N228 PolarHBondContact O-N 2.97Š| ||
| 227 | S | 33.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -91.4 | 80.9 | 167.1 | 38.1 | 0 | 0 | 0 | 0 | 110.3 | L225 S229 | L225-S227 PolarHBondContact O-N 2.81Å; L225-S227 VanDerWaalsContact O-N 3.07Å; S227-S229 PolarHBondContact O-N 2.83Å | ||
| 228 | N | 36.3 | Very low | 36.3 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -75.8 | 103.1 | 167.8 | -84.2 | 14.4 | 0 | 0 | 0 | 109.4 | K226 | K226-N228 PolarHBondContact O-N 2.97Š| ||
| 229 | S | 32.5 | Very low | 36.2 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -80.5 | 111.7 | 167.4 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | S227 | S227-S229 PolarHBondContact O-N 2.83Š| ||
| 230 | T | 37.9 | Very low | 36.1 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -130.8 | 127.4 | 157.4 | 31.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 231 | N | 30.4 | Very low | 36.3 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -108.9 | 115.8 | -168.7 | 174.3 | 15.3 | 0 | 0 | 0 | 109 | ||||
| 232 | T | 36.3 | Very low | 36.2 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -144.1 | 130 | 162.5 | 39.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 233 | N | 33.1 | Very low | 36.5 | Very low | 152 Ų | 152 | 155 Ų | 155 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -64.7 | 146.2 | 177.1 | -69.6 | -60.9 | 0 | 0 | 0 | 112.6 | ||||
| 234 | S | 36.8 | Very low | 36.5 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -158.5 | 146.2 | 120.5 | 53 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 235 | N | 34.3 | Very low | 36.7 | Very low | 148 Ų | 148 | 148 Ų | 148 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -68.3 | 152.3 | 179 | -59.7 | -72.7 | 0 | 0 | 0 | 110.5 | ||||
| 236 | Q | 39 | Very low | 36.4 | Very low | 149 Ų | 149 | 148 Ų | 148 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | -177.1 | 140.2 | 79.2 | -86.4 | -174.8 | 63.1 | 0 | 0 | 113 | |||||
| 237 | R | 35.6 | Very low | 36.4 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 53.5 | 146.8 | 133.1 | -64.5 | 177.1 | 175.4 | 174.2 | -7.8 | 121 | ||||
| 238 | K | 39.5 | Very low | 36.6 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | cis | -169.2 | -173.9 | -23.7 | -126.4 | -169.3 | -179.5 | -177.3 | 0 | 107.1 | ||||
| 239 | P | 40.2 | Very low | 36.3 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | -130.6 | 176.3 | -126.4 | 44.6 | -27.1 | 0 | 0 | 0 | 118 | |||||
| 240 | V | 35.9 | Very low | 36.6 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | 52.7 | 120.8 | 143.8 | 171.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 241 | I | 42 | Very low | 36.5 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -132.5 | 135.2 | 144.2 | -62.8 | -176.1 | 0 | 0 | 0 | 109.7 | ||||
| 242 | K | 36.6 | Very low | 36.7 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -106.8 | 149.5 | 173.9 | -67.3 | 174.6 | 174.8 | 176.3 | 0 | 110.6 | ||||
| 243 | K | 40.1 | Very low | 36.6 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | 169.3 | 106.1 | 149.6 | -95.3 | 155.5 | -174.9 | -174.6 | 0 | 107.3 | ||||
| 244 | S | 36.8 | Very low | 36.7 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 101 | 135.5 | 67.2 | 61 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 245 | P | 38.3 | Very low | 36.7 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 157.4 | -168.3 | 36.7 | -36.4 | 0 | 0 | 0 | 114.1 | ||||
| 246 | N | 33.3 | Very low | 36.6 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 139 | 99.5 | 148.3 | -73.2 | -14 | 0 | 0 | 0 | 113.9 | ||||
| 247 | S | 36.8 | Very low | 36.7 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -178.6 | 99.9 | 149.3 | 45.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 248 | S | 36.9 | Very low | 36.7 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | 63.5 | 95.2 | 90.5 | 71.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 249 | T | 30.8 | Very low | 36.7 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 53.1 | 106.4 | 130.6 | -26.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 250 | S | 37.4 | Very low | 36.7 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 178.9 | 130.9 | 114.1 | 50.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 251 | R | 36.2 | Very low | 36.7 | Very low | 221 Ų | 221 | 144.9 Ų | 144.9 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 49.6 | 119.8 | 135.2 | -66.8 | -179.3 | -180 | 168.8 | 0.8 | 122.3 | ||||
| 252 | N | 34.6 | Very low | 36.6 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | 76.4 | 101.8 | 126.2 | -57.8 | 2.9 | 0 | 0 | 0 | 121.2 | |||||
| 253 | S | 35.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | 177.9 | 115.6 | 120.1 | 34.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 254 | S | 33.5 | Very low | 36.3 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 73.3 | 89.9 | 71 | -178.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 255 | F | 36.9 | Very low | 36.3 | Very low | 214 Ų | 214 | 137.2 Ų | 137.2 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | trans | -136.3 | 131.8 | 141.4 | -89.6 | -76.6 | 0 | 0 | 0 | 109.8 | ||||
| 256 | R | 33.7 | Very low | 36 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -84.5 | 149.7 | 178.2 | -87.2 | -174.9 | 166.9 | -152.9 | -0.5 | 110.9 | E258 | R256-E258 IonicContact CZ-OE2 3.74Å; R256-E258 IonicContact NH1-OE1 3.46Å; R256-E258 PolarHBondContact NH1-OE1 3.4Å; R256-E258 IonicContact NH1-OE2 2.65Å; R256-E258 PolarHBondContact NH1-OE2 3.03Å | ||
| 257 | S | 40.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -142.8 | 107.4 | 138.2 | 36.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 258 | E | 36.3 | Very low | 36 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 57% | 0.57 | 77% | 0.771 | S | S | * | * | trans | -60.7 | 166.6 | 156.8 | -81.6 | 170 | 107.2 | 0 | 0 | 110.8 | R256 | R256-E258 IonicContact CZ-OE2 3.74Å; R256-E258 IonicContact NH1-OE1 3.46Å; R256-E258 PolarHBondContact NH1-OE1 3.4Å; R256-E258 IonicContact NH1-OE2 2.65Å; R256-E258 PolarHBondContact NH1-OE2 3.03Å | ||
| 259 | N | 38 | Very low | 36.1 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | cis | -151.8 | -170.4 | -8.4 | -104.1 | -25.8 | 0 | 0 | 0 | 105.5 | ||||
| 260 | I | 40.3 | Very low | 36.6 | Very low | 145 Ų | 145 | 141 Ų | 141 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | cis | -143.9 | 150.3 | 16 | -47.4 | 157 | 0 | 0 | 0 | 107.4 | ||||
| 261 | D | 36.4 | Very low | 36.5 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -136.9 | 112.9 | 167.7 | -161.2 | -4.7 | 0 | 0 | 0 | 109.7 | ||||
| 262 | T | 41 | Very low | 36.4 | Very low | 94 Ų | 94 | 141 Ų | 141 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | trans | -100.9 | -8.5 | -156.6 | -51.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 263 | F | 37.1 | Very low | 36.2 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -132.6 | 25 | -169.6 | -67 | -72.1 | 0 | 0 | 0 | 115.9 | ||
| 264 | A | 33.6 | Very low | 36.2 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | trans | -106.7 | 51.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 265 | T | 35.9 | Very low | 36.1 | Very low | 124 Ų | 124 | 145 Ų | 145 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -138.7 | 96 | 175.1 | 37.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 266 | C | 32.7 | Very low | 36.1 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 91% | 0.912 | 78% | 0.781 | S | S | * | * | trans | -155.7 | 94.2 | 149.3 | -100.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 267 | S | 37.1 | Very low | 36.1 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 141.9 | -174.7 | -52 | 0 | 0 | 0 | 0 | 113.5 | ||
| 268 | S | 31.5 | Very low | 35.9 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 132.5 | 172.2 | -41.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 269 | P | 39 | Very low | 35.8 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 139.1 | 164.4 | -11.4 | 28.5 | 0 | 0 | 0 | 111.3 | ||
| 270 | K | 41.5 | Very low | 35.6 | Very low | 199 Ų | 199 | 154 Ų | 154 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 141.5 | 175.5 | -69.1 | 166.9 | 178.7 | 167.9 | 0 | 111.1 | ||
| 271 | K | 35.2 | Very low | 35.6 | Very low | 212 Ų | 212 | 156.5 Ų | 156.5 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | 30.7 | 108.6 | 145.8 | -59.6 | -177.6 | 178.8 | -175.8 | 0 | 117.8 | ||||
| 272 | S | 34.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -140.5 | 127 | 142.5 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 273 | M | 31.2 | Very low | 35.1 | Very low | 182 Ų | 182 | 158.3 Ų | 158.3 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -83.3 | 117 | 172.6 | -80.3 | -164.2 | 70 | 0 | 0 | 109.2 | ||||
| 274 | H | 34.7 | Very low | 35.1 | Very low | 156 Ų | 156 | 156.3 Ų | 156.3 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -133.2 | 120 | 161.5 | -131.8 | 36.7 | 0 | 0 | 0 | 112 | F276 | H274-F276 PolarHBondContact O-N 3.13Š| ||
| 275 | S | 30.5 | Very low | 35 | Very low | 110 Ų | 110 | 159.1 Ų | 159.1 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -78.6 | 96.9 | -171.1 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | K277 | S275-K277 PolarHBondContact O-N 3.38Š| ||
| 276 | F | 37.8 | Very low | 34.7 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -90.2 | 99.7 | 169.1 | -81.7 | -78.2 | 0 | 0 | 0 | 111.7 | H274 R278 | H274-F276 PolarHBondContact O-N 3.13Å; F276-R278 PolarHBondContact O-N 2.94Å; F276-R278 VanDerWaalsContact O-N 3.17Å | ||
| 277 | K | 34.4 | Very low | 34.7 | Very low | 206 Ų | 206 | 157.6 Ų | 157.6 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | -50.8 | 115.3 | 163.7 | -73.2 | 171.1 | 172.8 | 172.4 | 0 | 109.8 | S275 | S275-K277 PolarHBondContact O-N 3.38Š| ||
| 278 | R | 36.2 | Very low | 34.4 | Very low | 242 Ų | 242 | 157.4 Ų | 157.4 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -120.9 | 120.7 | 153.4 | -81.3 | -167.7 | 176.5 | -174.7 | 1 | 109.5 | F276 S280 | F276-R278 PolarHBondContact O-N 2.94Å; F276-R278 VanDerWaalsContact O-N 3.17Å; R278-S280 PolarHBondContact O-N 2.92Å | ||
| 279 | R | 33.5 | Very low | 34.5 | Very low | 241 Ų | 241 | 160.4 Ų | 160.4 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -45.9 | 120.1 | -170.2 | -69.6 | 167.1 | 165.7 | 160.6 | -7.5 | 113.2 | ||||
| 280 | S | 33 | Very low | 34.3 | Very low | 113 Ų | 113 | 161.8 Ų | 161.8 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.3 | 140.6 | 41.4 | 0 | 0 | 0 | 0 | 108.3 | R278 | R278-S280 PolarHBondContact O-N 2.92Š|
| 281 | K | 41.4 | Very low | 33.7 | Very low | 197 Ų | 197 | 158.6 Ų | 158.6 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 133.7 | 163.5 | -75 | -174.7 | 176.7 | -177.7 | 0 | 107.6 | ||
| 282 | P | 34.6 | Very low | 33.5 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 140.4 | 179.7 | 29.3 | -33.7 | 0 | 0 | 0 | 111 | I284 | P282-I284 PolarHBondContact O-N 3.05Š|
| 283 | L | 32 | Very low | 33.4 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -63.5 | 114.5 | 154.1 | -84.3 | 149.1 | 0 | 0 | 0 | 107.3 | ||||
| 284 | I | 36.4 | Very low | 33.6 | Very low | 155 Ų | 155 | 153.2 Ų | 153.2 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -90.9 | 112 | 168.2 | -63.2 | 178 | 0 | 0 | 0 | 106.7 | P282 | P282-I284 PolarHBondContact O-N 3.05Š| ||
| 285 | N | 31.4 | Very low | 33.6 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 141.2 | 175.6 | -115.8 | 9 | 0 | 0 | 0 | 110.4 | ||||
| 286 | S | 30.1 | Very low | 34 | Very low | 95 Ų | 95 | 153.7 Ų | 153.7 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | trans | 37.4 | 113.4 | 145.5 | 62.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 287 | V | 31.9 | Very low | 33.9 | Very low | 132 Ų | 132 | 153 Ų | 153 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -134.9 | 116.4 | 130.3 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | Q289 | V287-Q289 HydrophobicContact CG1-CG 4.31Š| ||
| 288 | S | 31.4 | Very low | 34.1 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -75.6 | 131 | 167.5 | -49.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 289 | Q | 34 | Very low | 34.2 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -132.3 | 146 | 155.2 | -70.2 | -165.2 | 0.6 | 0 | 0 | 109.3 | V287 | V287-Q289 HydrophobicContact CG1-CG 4.31Š| ||
| 290 | L | 34 | Very low | 34.4 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -90.2 | 146.8 | -161 | -64.1 | 108.9 | 0 | 0 | 0 | 112.7 | ||||
| 291 | L | 29.8 | Very low | 34.4 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | 23.6 | 139.4 | 132.4 | -80 | 162.6 | 0 | 0 | 0 | 119 | I293 | L291-I293 HydrophobicContact CD2-CD1 4.18Å; L291-I293 HydrophobicContact CD2-CG1 3.91Å | ||
| 292 | P | 30.9 | Very low | 34.1 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | -135.8 | 163.1 | 77.9 | 31.2 | -13.9 | 0 | 0 | 0 | 117.3 | |||||
| 293 | I | 31.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 141 | 176.3 | -67.5 | 129.9 | 0 | 0 | 0 | 111.3 | L291 E295 | L291-I293 HydrophobicContact CD2-CD1 4.18Å; L291-I293 HydrophobicContact CD2-CG1 3.91Å; I293-E295 HydrophobicContact CG2-CG 4.15Å | ||
| 294 | T | 35.5 | Very low | 33.8 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | -138.4 | 111.9 | 151 | -39.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 295 | E | 35.3 | Very low | 33.8 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -86.5 | -170.4 | 166.1 | -61.5 | -161.1 | 150.2 | 0 | 0 | 110.3 | I293 | I293-E295 HydrophobicContact CG2-CG 4.15Š| ||
| 296 | P | 40.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | -116.8 | 175 | -79.7 | 35.6 | -21.3 | 0 | 0 | 0 | 109.9 | |||||
| 297 | D | 35.6 | Very low | 33.7 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -141.5 | 137 | 157.1 | -150.1 | -6.8 | 0 | 0 | 0 | 111.6 | ||||
| 298 | E | 38.3 | Very low | 33.7 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -85.4 | 144 | -179.5 | -60.2 | -172.8 | 141.6 | 0 | 0 | 109.5 | ||||
| 299 | N | 38.8 | Very low | 33.6 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | 147.2 | 157.7 | 142.7 | -80.5 | -63.8 | 0 | 0 | 0 | 113 | ||||
| 300 | T | 36.7 | Very low | 33.4 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 78.3 | 49.1 | 169.6 | 69.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 301 | S | 32.8 | Very low | 33.2 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | 20.3 | 130.4 | 120.3 | 73.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 302 | K | 35.8 | Very low | 33.2 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | 152.2 | 152.5 | 117.2 | -85 | 166.6 | -174.4 | 174.6 | 0 | 113.6 | |||||
| 303 | C | 30.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | trans | 70.3 | 103.4 | 165.3 | -60.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 304 | F | 29.7 | Very low | 33.2 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | cis | -163.9 | 160.7 | 34.3 | -85.2 | -77.2 | 0 | 0 | 0 | 110 | N306 | F304-N306 PolarHBondContact O-N 2.98Š| ||
| 305 | P | 36.8 | Very low | 32.9 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -76.2 | 126 | -176.1 | 30.3 | -33.8 | 0 | 0 | 0 | 113 | L307 | P305-L307 PolarHBondContact O-N 3.42Š| ||
| 306 | N | 30 | Very low | 32.6 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -71 | 73.6 | 162.5 | -104.4 | -21.6 | 0 | 0 | 0 | 109.9 | F304 Y308 | F304-N306 PolarHBondContact O-N 2.98Å; N306-Y308 VanDerWaalsContact C-N 3.25Å; N306-Y308 PolarHBondContact O-N 3.11Å | ||
| 307 | L | 29.2 | Very low | 32.1 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -82.7 | 77.4 | 162.2 | -80.7 | 164.5 | 0 | 0 | 0 | 108.5 | P305 C309 | P305-L307 PolarHBondContact O-N 3.42Å; L307-C309 PolarHBondContact O-N 2.78Å | ||
| 308 | Y | 32.1 | Very low | 31.9 | Very low | 198 Ų | 198 | 151.2 Ų | 151.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -61.8 | 117.6 | 158 | -100 | -96.7 | 0 | 0 | 0 | 107.4 | N306 E310 | N306-Y308 VanDerWaalsContact C-N 3.25Å; N306-Y308 PolarHBondContact O-N 3.11Å; Y308-E310 VanDerWaalsContact C-N 3.3Å; Y308-E310 PolarHBondContact O-N 3.2Å | ||
| 309 | C | 27.7 | Very low | 31.7 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 69% | 0.689 | 78% | 0.782 | S | S | * | * | trans | -74.8 | 83.9 | -178.3 | -166.3 | 0 | 0 | 0 | 0 | 109.7 | L307 S311 | L307-C309 PolarHBondContact O-N 2.78Å; C309-S311 PolarHBondContact O-N 3.1Å | ||
| 310 | E | 31.3 | Very low | 31.7 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -68.6 | 70.4 | 164.8 | -73.9 | -171.5 | 120.5 | 0 | 0 | 110.3 | Y308 | Y308-E310 VanDerWaalsContact C-N 3.3Å; Y308-E310 PolarHBondContact O-N 3.2Å | ||
| 311 | S | 29.8 | Very low | 32.1 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 57% | 0.573 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -166.7 | 135.2 | 165.9 | -77.8 | 0 | 0 | 0 | 0 | 108.5 | C309 | C309-S311 PolarHBondContact O-N 3.1Š|
| 312 | D | 28.2 | Very low | 33 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 106.1 | -9.9 | 175.9 | -61.2 | -11.4 | 0 | 0 | 0 | 118.4 | Q314 | D312-Q314 PolarHBondContact O-N 2.92Å; D312-Q314 VanDerWaalsContact O-N 3.07Å |
| 313 | F | 32.1 | Very low | 34 | Very low | 205 Ų | 205 | 136.8 Ų | 136.8 | 90% | 0.899 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -73.9 | 7.7 | 177.5 | -89.9 | -79 | 0 | 0 | 0 | 116.2 | ||
| 314 | Q | 30.7 | Very low | 35.4 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -91.6 | 8.1 | -177 | -66.4 | -166.1 | 14.7 | 0 | 0 | 115.7 | D312 | D312-Q314 PolarHBondContact O-N 2.92Å; D312-Q314 VanDerWaalsContact O-N 3.07Å |
| 315 | L | 29.8 | Very low | 37 | Very low | 160 Ų | 160 | 133 Ų | 133 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -120 | 14.6 | -176.3 | -91.3 | 167.3 | 0 | 0 | 0 | 116.7 | ||
| 316 | L | 29.5 | Very low | 38.3 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 87% | 0.869 | 68% | 0.681 | S | S | * | * | trans | -118.6 | 42.8 | 170.3 | -90.4 | 90.1 | 0 | 0 | 0 | 113.4 | K318 | L316-K318 VanDerWaalsContact C-N 3.32Š| ||
| 317 | S | 28.3 | Very low | 40.3 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -86.9 | 5.5 | 169.6 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | S319 | S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 VanDerWaalsContact O-N 3.17Å | ||
| 318 | K | 32.8 | Very low | 42.3 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 85% | 0.852 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -74.4 | 100.7 | 158.9 | -77.2 | -172.8 | 176.8 | -177.5 | 0 | 107.9 | L316 | L316-K318 VanDerWaalsContact C-N 3.32Š|
| 319 | S | 32.1 | Very low | 43.9 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | trans | -39.9 | 134.3 | 161.5 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | S317 C321 | S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 VanDerWaalsContact O-N 3.17Å; S319-C321 PolarHBondContact O-N 3.04Å; S319-C321 VanDerWaalsContact O-N 3.11Å | ||
| 320 | P | 40.1 | Very low | 45.4 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | trans | -51.4 | 125.8 | -175.8 | 21.2 | -32.7 | 0 | 0 | 0 | 109 | E322 | P320-E322 PolarHBondContact O-N 3.1Å; P320-E322 VanDerWaalsContact O-N 3.15Å | ||
| 321 | C | 43.9 | Very low | 46.8 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 64% | 0.642 | 65% | 0.645 | S | S | * | * | trans | -45.9 | 124.7 | -177.3 | -162 | 0 | 0 | 0 | 0 | 108.1 | S319 P323 | S319-C321 PolarHBondContact O-N 3.04Å; S319-C321 VanDerWaalsContact O-N 3.11Å; C321-P323 WeakPolarHBondContact O-CA 3.48Å; C321-P323 WeakPolarHBondContact O-CD 3.38Å | ||
| 322 | E | 52.7 | Low | 48.4 | Very low | 74 Ų | 74 | 119.9 Ų | 119.9 | 35% | 0.346 | 63% | 0.628 | S | S | . | * | trans | -45.3 | 111.6 | -169 | -78.1 | -167.1 | 168.1 | 0 | 0 | 108.8 | P320 W324 R325 | P320-E322 PolarHBondContact O-N 3.1Å; P320-E322 VanDerWaalsContact O-N 3.15Å; E322-W324 HydrophobicContact CB-CD2 4.23Å; E322-W324 HydrophobicContact CB-CZ2 3.86Å; E322-W324 HydrophobicContact CG-CH2 4.35Å; E322-W324 HydrophobicContact CG-CZ2 3.63Å; E322-W324 CarbonylContact O-C 3.6Å; E322-W324 PolarHBondContact O-N 3.34Å; E322-W324 PolarHBondContact OE2-NE1 3.45Å; E322-R325 HydrophobicContact CB-CB 4.41Å; E322-R325 HydrophobicContact CB-CG 4.1Å; E322-R325 WeakPolarHBondContact O-CA 3.39Å; E322-R325 WeakPolarHBondContact O-CB 3.37Å; E322-R325 PolarHBondContact O-N 3.2Å; E322-R325 IonicContact OE2-CZ 3.14Å; E322-R325 IonicContact OE2-NE 2.79Å; E322-R325 PolarHBondContact OE2-NE 2.92Å; E322-R325 IonicContact OE2-NH2 3.45Å; E322-R325 PolarHBondContact OE2-NH2 3.25Å | ||
| 323 | P | 55.9 | Low | 50.4 | Low | 43 Ų | 43 | 115 Ų | 115 | 28% | 0.279 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | -7.3 | -161.9 | 25.1 | -35.2 | 0 | 0 | 0 | 113.2 | C321 R325 F340 | C321-P323 WeakPolarHBondContact O-CA 3.48Å; C321-P323 WeakPolarHBondContact O-CD 3.38Å; P323-R325 VanDerWaalsContact C-N 3.35Å; P323-F340 HydrophobicContact CB-CD1 3.78Å; P323-F340 HydrophobicContact CB-CE1 3.48Å; P323-F340 VanDerWaalsContact CB-CE1 3.48Å; P323-F340 HydrophobicContact CB-CG 4.48Å; P323-F340 HydrophobicContact CB-CZ 3.94Å; P323-F340 HydrophobicContact CG-CE1 4.39Å |
| 324 | W | 60.7 | Low | 52.2 | Low | 98 Ų | 98 | 109.6 Ų | 109.6 | 37% | 0.371 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | 14 | 167.6 | 57.7 | 77.2 | 0 | 0 | 0 | 113 | E322 L331 A332 W356 | E322-W324 HydrophobicContact CB-CD2 4.23Å; E322-W324 HydrophobicContact CB-CZ2 3.86Å; E322-W324 HydrophobicContact CG-CH2 4.35Å; E322-W324 HydrophobicContact CG-CZ2 3.63Å; E322-W324 CarbonylContact O-C 3.6Å; E322-W324 PolarHBondContact O-N 3.34Å; E322-W324 PolarHBondContact OE2-NE1 3.45Å; W324-L331 CarbonylContact O-C 3.45Å; W324-L331 WeakPolarHBondContact O-CA 3.36Å; W324-L331 WeakPolarHBondContact O-CD2 3.41Å; W324-A332 PolarHBondContact O-N 2.91Å; W324-W356 AromaticContact CH2-CZ3 3.89Å; W324-W356 HydrophobicContact CH2-CZ3 3.89Å; W324-W356 HydrophobicContact CZ2-CZ3 4.41Å |
| 325 | R | 62.4 | Low | 54.2 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 44% | 0.442 | 58% | 0.575 | S | S | . | * | B | Isolated β-bridge | trans | -128.2 | 146.4 | 176 | -62.5 | -166.9 | -166.9 | -117.8 | 7.4 | 113.8 | E322 P323 G329 R330 | E322-R325 HydrophobicContact CB-CB 4.41Å; E322-R325 HydrophobicContact CB-CG 4.1Å; E322-R325 WeakPolarHBondContact O-CA 3.39Å; E322-R325 WeakPolarHBondContact O-CB 3.37Å; E322-R325 PolarHBondContact O-N 3.2Å; E322-R325 IonicContact OE2-CZ 3.14Å; E322-R325 IonicContact OE2-NE 2.79Å; E322-R325 PolarHBondContact OE2-NE 2.92Å; E322-R325 IonicContact OE2-NH2 3.45Å; E322-R325 PolarHBondContact OE2-NH2 3.25Å; P323-R325 VanDerWaalsContact C-N 3.35Å; R325-G329 WeakPolarHBondContact CD-O 3.29Å; R325-G329 PolarHBondContact NH1-O 3.35Å; R325-R330 CarbonylContact C-O 3.48Å; R325-R330 WeakPolarHBondContact CA-O 3.16Å |
| 326 | D | 65.6 | Low | 56 | Low | 62 Ų | 62 | 103.2 Ų | 103.2 | 33% | 0.332 | 56% | 0.558 | S | S | . | * | trans | -83 | 175.1 | 166.8 | 68 | 18.8 | 0 | 0 | 0 | 112.2 | T328 G329 R330 | D326-T328 VanDerWaalsContact CG-OG1 3.28Å; D326-T328 PolarHBondContact O-N 2.86Å; D326-T328 VanDerWaalsContact OD1-C 3.29Å; D326-T328 VanDerWaalsContact OD1-CA 3.24Å; D326-T328 WeakPolarHBondContact OD1-CA 3.32Å; D326-T328 WeakPolarHBondContact OD1-CB 3.45Å; D326-T328 PolarHBondContact OD1-N 2.84Å; D326-T328 PolarHBondContact OD1-OG1 2.85Å; D326-T328 PolarHBondContact OD2-OG1 3.13Å; D326-G329 PolarHBondContact O-N 3.49Å; D326-G329 PolarHBondContact OD1-N 3.08Å; D326-G329 VanDerWaalsContact OD1-N 3.08Å; D326-R330 PolarHBondContact N-O 3.13Å; D326-R330 PolarHBondContact OD1-N 2.94Å | ||
| 327 | D | 72.1 | Confident | 57.9 | Low | 170 Ų | 170 | 97.9 Ų | 97.9 | 91% | 0.909 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -11.4 | 177 | -63 | -35.7 | 0 | 0 | 0 | 113.6 | ||
| 328 | T | 70.1 | Confident | 59.9 | Low | 99 Ų | 99 | 95.6 Ų | 95.6 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 3.8 | 174.9 | 76.8 | 0 | 0 | 0 | 0 | 113.2 | D326 R330 | D326-T328 VanDerWaalsContact CG-OG1 3.28Å; D326-T328 PolarHBondContact O-N 2.86Å; D326-T328 VanDerWaalsContact OD1-C 3.29Å; D326-T328 VanDerWaalsContact OD1-CA 3.24Å; D326-T328 WeakPolarHBondContact OD1-CA 3.32Å; D326-T328 WeakPolarHBondContact OD1-CB 3.45Å; D326-T328 PolarHBondContact OD1-N 2.84Å; D326-T328 PolarHBondContact OD1-OG1 2.85Å; D326-T328 PolarHBondContact OD2-OG1 3.13Å; T328-R330 PolarHBondContact O-N 2.92Å; T328-R330 WeakPolarHBondContact OG1-CD 3.39Å; T328-R330 WeakPolarHBondContact OG1-CG 3.34Å |
| 329 | G | 65.3 | Low | 61.6 | Low | 33 Ų | 33 | 89.1 Ų | 89.1 | 34% | 0.34 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 74.2 | 9.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R325 D326 | R325-G329 WeakPolarHBondContact CD-O 3.29Å; R325-G329 PolarHBondContact NH1-O 3.35Å; D326-G329 PolarHBondContact O-N 3.49Å; D326-G329 PolarHBondContact OD1-N 3.08Å; D326-G329 VanDerWaalsContact OD1-N 3.08Å |
| 330 | R | 59.1 | Low | 63.2 | Low | 184 Ų | 184 | 87.8 Ų | 87.8 | 69% | 0.694 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -85.2 | 158.3 | 174.5 | -64.1 | 175.3 | 174.2 | -169.6 | -2 | 109.9 | R325 D326 T328 A332 | R325-R330 CarbonylContact C-O 3.48Å; R325-R330 WeakPolarHBondContact CA-O 3.16Å; D326-R330 PolarHBondContact N-O 3.13Å; D326-R330 PolarHBondContact OD1-N 2.94Å; T328-R330 PolarHBondContact O-N 2.92Å; T328-R330 WeakPolarHBondContact OG1-CD 3.39Å; T328-R330 WeakPolarHBondContact OG1-CG 3.34Å; R330-A332 PolarHBondContact O-N 2.92Å |
| 331 | L | 60.9 | Low | 64.5 | Low | 126 Ų | 126 | 84.2 Ų | 84.2 | 66% | 0.66 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -61.7 | 123.5 | 179.1 | -67.8 | 175.3 | 0 | 0 | 0 | 111 | W324 | W324-L331 CarbonylContact O-C 3.45Å; W324-L331 WeakPolarHBondContact O-CA 3.36Å; W324-L331 WeakPolarHBondContact O-CD2 3.41Å |
| 332 | A | 65 | Low | 65.7 | Low | 25 Ų | 25 | 82.6 Ų | 82.6 | 21% | 0.207 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 143 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | W324 R330 | W324-A332 PolarHBondContact O-N 2.91Å; R330-A332 PolarHBondContact O-N 2.92Å |
| 333 | S | 69.7 | Low | 66.1 | Low | 54 Ų | 54 | 87.4 Ų | 87.4 | 38% | 0.378 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 152.9 | 179.9 | 88.1 | 0 | 0 | 0 | 0 | 110.1 | H335 D336 F337 | S333-H335 PolarHBondContact O-N 3.37Å; S333-H335 VanDerWaalsContact O-N 3.11Å; S333-H335 PolarHBondContact OG-N 3.02Å; S333-D336 WeakPolarHBondContact CB-OD2 3.32Å; S333-D336 PolarHBondContact O-N 3.12Å; S333-D336 PolarHBondContact OG-N 3.16Å; S333-D336 VanDerWaalsContact OG-N 3.1Å; S333-D336 PolarHBondContact OG-OD2 3.29Å; S333-F337 PolarHBondContact O-N 2.88Å |
| 334 | V | 69.7 | Low | 66.1 | Low | 90 Ų | 90 | 91.3 Ų | 91.3 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.6 | -31.1 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | I338 A436 | V334-I338 HydrophobicContact CG1-CD1 3.77Å; V334-I338 HydrophobicContact CG1-CG1 4.45Å; V334-I338 WeakPolarHBondContact O-CB 3.48Å; V334-I338 WeakPolarHBondContact O-CD1 3.35Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 3.22Å; V334-A436 HydrophobicContact CG2-CB 4.49Å |
| 335 | H | 72 | Confident | 65.7 | Low | 125 Ų | 125 | 89.3 Ų | 89.3 | 58% | 0.579 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.6 | -43 | 175.3 | -163.9 | -18.2 | 0 | 0 | 0 | 111.9 | S333 I338 N339 | S333-H335 PolarHBondContact O-N 3.37Å; S333-H335 VanDerWaalsContact O-N 3.11Å; S333-H335 PolarHBondContact OG-N 3.02Å; H335-I338 PolarHBondContact O-N 3.42Å; H335-N339 PolarHBondContact CE1-ND2 3.28Å; H335-N339 PolarHBondContact CE1-OD1 3.25Å; H335-N339 VanDerWaalsContact CE1-OD1 3.25Å; H335-N339 PolarHBondContact ND1-ND2 3.39Å; H335-N339 VanDerWaalsContact ND1-ND2 3.12Å; H335-N339 PolarHBondContact ND1-OD1 2.89Å; H335-N339 WeakPolarHBondContact O-CB 3.25Å; H335-N339 PolarHBondContact O-N 2.99Å; H335-N339 PolarHBondContact O-ND2 3.44Å; H335-N339 PolarHBondContact O-OD1 3.08Å |
| 336 | D | 67.2 | Low | 65 | Low | 90 Ų | 90 | 86.4 Ų | 86.4 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.8 | -38.7 | -179.6 | -57.2 | -47.6 | 0 | 0 | 0 | 111.6 | S333 N339 F340 | S333-D336 WeakPolarHBondContact CB-OD2 3.32Å; S333-D336 PolarHBondContact O-N 3.12Å; S333-D336 PolarHBondContact OG-N 3.16Å; S333-D336 VanDerWaalsContact OG-N 3.1Å; S333-D336 PolarHBondContact OG-OD2 3.29Å; D336-N339 PolarHBondContact O-N 2.91Å; D336-F340 VanDerWaalsContact O-CB 3.32Å; D336-F340 WeakPolarHBondContact O-CB 3.45Å; D336-F340 PolarHBondContact O-N 3.22Å |
| 337 | F | 69.6 | Low | 64.2 | Low | 54 Ų | 54 | 87.3 Ų | 87.3 | 24% | 0.237 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 172.6 | -178.8 | -101.4 | 0 | 0 | 0 | 111.9 | S333 F340 V341 A432 | S333-F337 PolarHBondContact O-N 2.88Å; F337-F340 PolarHBondContact O-N 3.06Å; F337-V341 HydrophobicContact CD1-CG2 4.35Å; F337-V341 HydrophobicContact CD2-CG2 4.48Å; F337-V341 HydrophobicContact CE1-CG2 3.91Å; F337-V341 HydrophobicContact CE2-CG2 4.06Å; F337-V341 HydrophobicContact CZ-CG2 3.76Å; F337-V341 WeakPolarHBondContact O-CB 3.47Å; F337-V341 WeakPolarHBondContact O-CG2 3.42Å; F337-V341 PolarHBondContact O-N 3.13Å; F337-A432 HydrophobicContact CE1-CB 3.93Å |
| 338 | I | 71.5 | Confident | 62.6 | Low | 68 Ų | 68 | 87.2 Ų | 87.2 | 35% | 0.349 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 174.7 | -71.5 | 169.1 | 0 | 0 | 0 | 110.6 | V334 H335 V341 C342 | V334-I338 HydrophobicContact CG1-CD1 3.77Å; V334-I338 HydrophobicContact CG1-CG1 4.45Å; V334-I338 WeakPolarHBondContact O-CB 3.48Å; V334-I338 WeakPolarHBondContact O-CD1 3.35Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 3.22Å; H335-I338 PolarHBondContact O-N 3.42Å; I338-V341 PolarHBondContact O-N 2.93Å; I338-C342 VanDerWaalsContact O-CB 3.22Å; I338-C342 WeakPolarHBondContact O-CB 3.42Å; I338-C342 PolarHBondContact O-N 3.34Å; I338-C342 PolarHBondContact O-SG 3.11Å |
| 339 | N | 68.7 | Low | 61.3 | Low | 59 Ų | 59 | 87.3 Ų | 87.3 | 32% | 0.316 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | 174.6 | -72.4 | -18.4 | 0 | 0 | 0 | 110.3 | H335 D336 V341 C342 F343 | H335-N339 PolarHBondContact CE1-ND2 3.28Å; H335-N339 PolarHBondContact CE1-OD1 3.25Å; H335-N339 VanDerWaalsContact CE1-OD1 3.25Å; H335-N339 PolarHBondContact ND1-ND2 3.39Å; H335-N339 VanDerWaalsContact ND1-ND2 3.12Å; H335-N339 PolarHBondContact ND1-OD1 2.89Å; H335-N339 WeakPolarHBondContact O-CB 3.25Å; H335-N339 PolarHBondContact O-N 2.99Å; H335-N339 PolarHBondContact O-ND2 3.44Å; H335-N339 PolarHBondContact O-OD1 3.08Å; D336-N339 PolarHBondContact O-N 2.91Å; N339-V341 PolarHBondContact O-N 2.86Å; N339-C342 PolarHBondContact O-N 3.39Å; N339-F343 WeakPolarHBondContact O-CB 3.44Å; N339-F343 WeakPolarHBondContact O-CD2 3.24Å; N339-F343 PolarHBondContact O-N 3.06Å |
| 340 | F | 64.2 | Low | 59.8 | Low | 71 Ų | 71 | 89.1 Ų | 89.1 | 31% | 0.311 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57 | -52.2 | 178.6 | -178.8 | -89.6 | 0 | 0 | 0 | 111.4 | P323 D336 F337 C342 F343 H344 | P323-F340 HydrophobicContact CB-CD1 3.78Å; P323-F340 HydrophobicContact CB-CE1 3.48Å; P323-F340 VanDerWaalsContact CB-CE1 3.48Å; P323-F340 HydrophobicContact CB-CG 4.48Å; P323-F340 HydrophobicContact CB-CZ 3.94Å; P323-F340 HydrophobicContact CG-CE1 4.39Å; D336-F340 VanDerWaalsContact O-CB 3.32Å; D336-F340 WeakPolarHBondContact O-CB 3.45Å; D336-F340 PolarHBondContact O-N 3.22Å; F337-F340 PolarHBondContact O-N 3.06Å; F340-C342 VanDerWaalsContact C-N 3.28Å; F340-C342 PolarHBondContact O-N 2.88Å; F340-F343 PolarHBondContact O-N 2.91Å; F340-H344 AromaticContact CD2-CD2 3.36Å; F340-H344 WeakPolarHBondContact CD2-CD2 3.31Å; F340-H344 AromaticContact CD2-NE2 3.98Å; F340-H344 HydrophobicContact CE1-CB 4.4Å; F340-H344 HydrophobicContact CE2-CB 4.35Å; F340-H344 AromaticContact CE2-CD2 3.5Å; F340-H344 VanDerWaalsContact CE2-CD2 3.5Å; F340-H344 WeakPolarHBondContact CE2-CD2 3.27Å; F340-H344 AromaticContact CE2-CG 3.87Å; F340-H344 AromaticContact CG-CD2 4Å; F340-H344 HydrophobicContact CZ-CB 4.23Å; F340-H344 WeakPolarHBondContact O-CB 3.25Å; F340-H344 PolarHBondContact O-N 3.44Å |
| 341 | V | 69.1 | Low | 58.7 | Low | 31 Ų | 31 | 85 Ų | 85 | 19% | 0.188 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.5 | -33.8 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | F337 I338 N339 | F337-V341 HydrophobicContact CD1-CG2 4.35Å; F337-V341 HydrophobicContact CD2-CG2 4.48Å; F337-V341 HydrophobicContact CE1-CG2 3.91Å; F337-V341 HydrophobicContact CE2-CG2 4.06Å; F337-V341 HydrophobicContact CZ-CG2 3.76Å; F337-V341 WeakPolarHBondContact O-CB 3.47Å; F337-V341 WeakPolarHBondContact O-CG2 3.42Å; F337-V341 PolarHBondContact O-N 3.13Å; I338-V341 PolarHBondContact O-N 2.93Å; N339-V341 PolarHBondContact O-N 2.86Å |
| 342 | C | 67.9 | Low | 57.8 | Low | 61 Ų | 61 | 84.7 Ų | 84.7 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -78.7 | -32.9 | 178.1 | -72.4 | 0 | 0 | 0 | 0 | 114.1 | I338 N339 F340 | I338-C342 VanDerWaalsContact O-CB 3.22Å; I338-C342 WeakPolarHBondContact O-CB 3.42Å; I338-C342 PolarHBondContact O-N 3.34Å; I338-C342 PolarHBondContact O-SG 3.11Å; N339-C342 PolarHBondContact O-N 3.39Å; F340-C342 VanDerWaalsContact C-N 3.28Å; F340-C342 PolarHBondContact O-N 2.88Å |
| 343 | F | 61.7 | Low | 56.4 | Low | 175 Ų | 175 | 89.6 Ų | 89.6 | 77% | 0.768 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -87.3 | -41.2 | -179.1 | -93.7 | -87 | 0 | 0 | 0 | 113.3 | N339 F340 | N339-F343 WeakPolarHBondContact O-CB 3.44Å; N339-F343 WeakPolarHBondContact O-CD2 3.24Å; N339-F343 PolarHBondContact O-N 3.06Å; F340-F343 PolarHBondContact O-N 2.91Å |
| 344 | H | 55.9 | Low | 55 | Low | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -90.4 | -3.4 | -174.6 | -71.7 | -78.6 | 0 | 0 | 0 | 114.3 | F340 C346 | F340-H344 AromaticContact CD2-CD2 3.36Å; F340-H344 WeakPolarHBondContact CD2-CD2 3.31Å; F340-H344 AromaticContact CD2-NE2 3.98Å; F340-H344 HydrophobicContact CE1-CB 4.4Å; F340-H344 HydrophobicContact CE2-CB 4.35Å; F340-H344 AromaticContact CE2-CD2 3.5Å; F340-H344 VanDerWaalsContact CE2-CD2 3.5Å; F340-H344 WeakPolarHBondContact CE2-CD2 3.27Å; F340-H344 AromaticContact CE2-CG 3.87Å; F340-H344 AromaticContact CG-CD2 4Å; F340-H344 HydrophobicContact CZ-CB 4.23Å; F340-H344 WeakPolarHBondContact O-CB 3.25Å; F340-H344 PolarHBondContact O-N 3.44Å; H344-C346 PolarHBondContact O-N 3.22Å |
| 345 | D | 52.3 | Low | 53.2 | Low | 56 Ų | 56 | 92 Ų | 92 | 30% | 0.299 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40 | 74.2 | 173.4 | -149.1 | 66.2 | 0 | 0 | 0 | 112.2 | S347 M348 R425 | D345-S347 WeakPolarHBondContact O-CA 3.41Å; D345-S347 WeakPolarHBondContact O-CB 3.35Å; D345-S347 PolarHBondContact O-N 2.9Å; D345-S347 WeakPolarHBondContact OD2-CB 3.47Å; D345-S347 PolarHBondContact OD2-OG 2.76Å; D345-M348 PolarHBondContact O-N 3.49Å; D345-R425 IonicContact OD1-CZ 3.04Å; D345-R425 IonicContact OD1-NE 2.63Å; D345-R425 PolarHBondContact OD1-NE 3.04Å; D345-R425 VanDerWaalsContact OD1-NE 3.14Å; D345-R425 IonicContact OD1-NH2 3.22Å; D345-R425 PolarHBondContact OD1-NH2 2.91Å |
| 346 | C | 48.4 | Very low | 51.7 | Low | 57 Ų | 57 | 95 Ų | 95 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -60.7 | 10.4 | -175.3 | -54.6 | 0 | 0 | 0 | 0 | 115.2 | H344 M348 T349 | H344-C346 PolarHBondContact O-N 3.22Å; C346-M348 PolarHBondContact O-N 2.87Å; C346-M348 VanDerWaalsContact O-N 3.15Å; C346-T349 PolarHBondContact O-N 2.8Å; C346-T349 PolarHBondContact O-OG1 2.92Å; C346-T349 VanDerWaalsContact O-OG1 3.06Å |
| 347 | S | 46.9 | Very low | 50.2 | Low | 80 Ų | 80 | 97.8 Ų | 97.8 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -42.4 | -26.6 | 152 | -48.9 | 0 | 0 | 0 | 0 | 114.2 | D345 | D345-S347 WeakPolarHBondContact O-CA 3.41Å; D345-S347 WeakPolarHBondContact O-CB 3.35Å; D345-S347 PolarHBondContact O-N 2.9Å; D345-S347 WeakPolarHBondContact OD2-CB 3.47Å; D345-S347 PolarHBondContact OD2-OG 2.76Å |
| 348 | M | 40 | Very low | 48.5 | Very low | 169 Ų | 169 | 99.8 Ų | 99.8 | 83% | 0.833 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -95.9 | -6.8 | -175.6 | -67.2 | -64.8 | 151.9 | 0 | 0 | 115.9 | D345 C346 G350 | D345-M348 PolarHBondContact O-N 3.49Å; C346-M348 PolarHBondContact O-N 2.87Å; C346-M348 VanDerWaalsContact O-N 3.15Å; M348-G350 PolarHBondContact O-N 2.85Å |
| 349 | T | 41.6 | Very low | 46.4 | Very low | 100 Ų | 100 | 98.8 Ų | 98.8 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | trans | -80.9 | 66.3 | 166.1 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | C346 D351 | C346-T349 PolarHBondContact O-N 2.8Å; C346-T349 PolarHBondContact O-OG1 2.92Å; C346-T349 VanDerWaalsContact O-OG1 3.06Å; T349-D351 PolarHBondContact O-N 3.33Å | ||
| 350 | G | 34.6 | Very low | 44.5 | Very low | 72 Ų | 72 | 102.1 Ų | 102.1 | 74% | 0.742 | 57% | 0.571 | S | S | * | * | trans | -76.9 | 28.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | M348 P352 | M348-G350 PolarHBondContact O-N 2.85Å; G350-P352 WeakPolarHBondContact O-CD 3.33Å | ||
| 351 | D | 36.5 | Very low | 43.1 | Very low | 97 Ų | 97 | 105 Ų | 105 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | trans | -99.8 | 106.4 | 178.3 | -158.1 | -32 | 0 | 0 | 0 | 110.3 | T349 N353 T354 | T349-D351 PolarHBondContact O-N 3.33Å; D351-N353 PolarHBondContact O-N 3.21Å; D351-N353 VanDerWaalsContact O-N 3.12Å; D351-N353 PolarHBondContact OD1-N 2.87Å; D351-N353 PolarHBondContact OD1-ND2 3.15Å; D351-T354 PolarHBondContact O-OG1 3.17Å | ||
| 352 | P | 41.9 | Very low | 41.2 | Very low | 120 Ų | 120 | 107.4 Ų | 107.4 | 78% | 0.779 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -3.9 | -172.7 | 30.2 | -36 | 0 | 0 | 0 | 113.9 | G350 T354 | G350-P352 WeakPolarHBondContact O-CD 3.33Å; P352-T354 PolarHBondContact O-N 3.32Å; P352-T354 VanDerWaalsContact O-N 3.16Å |
| 353 | N | 35.5 | Very low | 39.5 | Very low | 127 Ų | 127 | 113.6 Ų | 113.6 | 68% | 0.679 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 7.7 | 177.6 | -63.4 | -51 | 0 | 0 | 0 | 114.1 | D351 E355 | D351-N353 PolarHBondContact O-N 3.21Å; D351-N353 VanDerWaalsContact O-N 3.12Å; D351-N353 PolarHBondContact OD1-N 2.87Å; D351-N353 PolarHBondContact OD1-ND2 3.15Å; N353-E355 PolarHBondContact O-N 3.43Å |
| 354 | T | 39.4 | Very low | 38.1 | Very low | 71 Ų | 71 | 112.4 Ų | 112.4 | 44% | 0.436 | 62% | 0.621 | S | S | . | * | trans | -78.6 | 64.6 | 174.7 | -41.4 | 0 | 0 | 0 | 0 | 111.1 | D351 P352 W356 F357 | D351-T354 PolarHBondContact O-OG1 3.17Å; P352-T354 PolarHBondContact O-N 3.32Å; P352-T354 VanDerWaalsContact O-N 3.16Å; T354-W356 HydrophobicContact CG2-CB 4.25Å; T354-W356 HydrophobicContact CG2-CG 4.29Å; T354-W356 PolarHBondContact O-N 3.17Å; T354-F357 HydrophobicContact CG2-CD2 4.11Å; T354-F357 HydrophobicContact CG2-CE2 4.03Å | ||
| 355 | E | 32.9 | Very low | 36.7 | Very low | 125 Ų | 125 | 111.8 Ų | 111.8 | 58% | 0.584 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -59.1 | -10.2 | 179 | -61.5 | -166.1 | 146.5 | 0 | 0 | 114 | N353 F357 A358 Y361 | N353-E355 PolarHBondContact O-N 3.43Å; E355-F357 PolarHBondContact O-N 3.29Å; E355-A358 PolarHBondContact O-N 2.95Å; E355-A358 VanDerWaalsContact O-N 3.15Å; E355-Y361 WeakPolarHBondContact CB-OH 3.4Å; E355-Y361 PolarHBondContact OE2-OH 3.16Å |
| 356 | W | 39 | Very low | 35.7 | Very low | 186 Ų | 186 | 117 Ų | 117 | 71% | 0.705 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -59.9 | -17.6 | -172.2 | -63 | 26.8 | 0 | 0 | 0 | 114.2 | W324 T354 | W324-W356 AromaticContact CH2-CZ3 3.89Å; W324-W356 HydrophobicContact CH2-CZ3 3.89Å; W324-W356 HydrophobicContact CZ2-CZ3 4.41Å; T354-W356 HydrophobicContact CG2-CB 4.25Å; T354-W356 HydrophobicContact CG2-CG 4.29Å; T354-W356 PolarHBondContact O-N 3.17Å |
| 357 | F | 37.2 | Very low | 34.9 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -102.6 | -10.9 | -178.1 | -68.1 | -81.7 | 0 | 0 | 0 | 114.8 | T354 E355 V431 L435 | T354-F357 HydrophobicContact CG2-CD2 4.11Å; T354-F357 HydrophobicContact CG2-CE2 4.03Å; E355-F357 PolarHBondContact O-N 3.29Å; F357-V431 HydrophobicContact CD1-CG1 3.97Å; F357-V431 HydrophobicContact CE1-CG1 3.97Å; F357-L435 HydrophobicContact CE1-CD1 4.19Å |
| 358 | A | 33.5 | Very low | 34.2 | Very low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -15.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E355 | E355-A358 PolarHBondContact O-N 2.95Å; E355-A358 VanDerWaalsContact O-N 3.15Å |
| 359 | S | 26.3 | Very low | 33.8 | Very low | 47 Ų | 47 | 119.3 Ų | 119.3 | 33% | 0.329 | 68% | 0.68 | S | S | . | * | trans | -122 | 122.3 | -179.3 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | Y361 | S359-Y361 VanDerWaalsContact CB-CE2 3.48Å; S359-Y361 PolarHBondContact O-N 3.32Å; S359-Y361 PolarHBondContact OG-N 3.16Å | ||
| 360 | P | 30.1 | Very low | 33.2 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | trans | -70.7 | 81.3 | 156.5 | 31.8 | -29.5 | 0 | 0 | 0 | 106.3 | S362 | P360-S362 PolarHBondContact O-N 3.18Š| ||
| 361 | Y | 33.8 | Very low | 33 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 52% | 0.518 | 69% | 0.694 | S | S | . | * | trans | -56.2 | 113.9 | -177.7 | -78.5 | -82.6 | 0 | 0 | 0 | 108.8 | E355 S359 M363 | E355-Y361 WeakPolarHBondContact CB-OH 3.4Å; E355-Y361 PolarHBondContact OE2-OH 3.16Å; S359-Y361 VanDerWaalsContact CB-CE2 3.48Å; S359-Y361 PolarHBondContact O-N 3.32Å; S359-Y361 PolarHBondContact OG-N 3.16Å; Y361-M363 PolarHBondContact O-N 3.5Å | ||
| 362 | S | 29.6 | Very low | 32.8 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 57% | 0.566 | 71% | 0.713 | S | S | * | * | trans | -40.2 | 114.2 | 160 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | P360 H364 | P360-S362 PolarHBondContact O-N 3.18Å; S362-H364 PolarHBondContact O-N 2.9Å; S362-H364 PolarHBondContact OG-CD2 3.19Å; S362-H364 VanDerWaalsContact OG-CG 3.23Å | ||
| 363 | M | 32.1 | Very low | 32.4 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 94% | 0.941 | 72% | 0.72 | S | S | * | * | trans | -73 | 51.1 | 173 | -79.6 | -76.2 | -148.7 | 0 | 0 | 110.1 | Y361 | Y361-M363 PolarHBondContact O-N 3.5Š| ||
| 364 | H | 32 | Very low | 32.4 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | trans | -100.5 | 93.3 | 171.6 | -72.9 | -14.5 | 0 | 0 | 0 | 108.6 | S362 | S362-H364 PolarHBondContact O-N 2.9Å; S362-H364 PolarHBondContact OG-CD2 3.19Å; S362-H364 VanDerWaalsContact OG-CG 3.23Å | ||
| 365 | S | 27.5 | Very low | 32 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | 47.6 | 85.8 | 146.1 | 58.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 366 | L | 31.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -112.9 | 144.3 | 151.5 | -74 | 174.2 | 0 | 0 | 0 | 109.6 | ||||
| 367 | P | 31.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | trans | -80.5 | 142.4 | -151.2 | 29.7 | -36.1 | 0 | 0 | 0 | 113.8 | ||||
| 368 | V | 31.8 | Very low | 31.7 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -59.8 | 129.7 | 166.9 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | R370 | V368-R370 PolarHBondContact O-N 2.94Å; V368-R370 VanDerWaalsContact O-N 3.1Å | ||
| 369 | P | 31.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -62.4 | 112.2 | 176 | -22 | 33.2 | 0 | 0 | 0 | 111.5 | T371 | P369-T371 PolarHBondContact O-N 2.91Å; P369-T371 VanDerWaalsContact O-N 3.13Å | ||
| 370 | R | 29.7 | Very low | 32 | Very low | 246 Ų | 246 | 140 Ų | 140 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | -81.7 | 75.4 | 171.9 | -71.3 | -173.4 | -175.8 | 147.6 | -2 | 111.2 | V368 | V368-R370 PolarHBondContact O-N 2.94Å; V368-R370 VanDerWaalsContact O-N 3.1Å | ||
| 371 | T | 30.1 | Very low | 32.4 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | -152.8 | 80.3 | 167.5 | 45.7 | 0 | 0 | 0 | 0 | 112.5 | P369 | P369-T371 PolarHBondContact O-N 2.91Å; P369-T371 VanDerWaalsContact O-N 3.13Å | ||
| 372 | L | 33.1 | Very low | 32.7 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -151.5 | 87.3 | 137.5 | -83.1 | -168.4 | 0 | 0 | 0 | 107.4 | S374 | L372-S374 PolarHBondContact O-N 3.29Š| ||
| 373 | Q | 31.9 | Very low | 33.3 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -75.6 | 109.5 | 167 | -76.1 | 176.4 | -77.5 | 0 | 0 | 108.6 | ||||
| 374 | S | 35.6 | Very low | 33.9 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -144.2 | 81.8 | 163.7 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | L372 | L372-S374 PolarHBondContact O-N 3.29Š| ||
| 375 | N | 32.6 | Very low | 34.3 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 24.4 | 100.9 | 147.7 | -53.3 | -22.4 | 0 | 0 | 0 | 117.7 | ||||
| 376 | L | 37.8 | Very low | 34.9 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | -156.9 | 132.4 | 143.4 | -97.8 | 143 | 0 | 0 | 0 | 107.4 | ||||
| 377 | G | 30.1 | Very low | 35.2 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -81.7 | 167.2 | -151.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 378 | P | 33.5 | Very low | 35.3 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -83.4 | 129.6 | 177.4 | 33.3 | -32.1 | 0 | 0 | 0 | 111.8 | ||||
| 379 | S | 34.4 | Very low | 35.6 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -98.8 | 107.2 | 162 | -175 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 380 | N | 32.9 | Very low | 36 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -70.9 | 141.9 | 173.2 | -63.2 | -30.6 | 0 | 0 | 0 | 110.4 | ||||
| 381 | S | 38.7 | Very low | 36.2 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -146.3 | 114.3 | 145.2 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 382 | D | 39.1 | Very low | 36.6 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 63% | 0.626 | 81% | 0.809 | S | S | * | * | trans | -65.7 | 148.7 | 176.8 | -56.2 | -89.3 | 0 | 0 | 0 | 111.5 | ||||
| 383 | H | 43 | Very low | 36.7 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | trans | -150.3 | 113.3 | 132.7 | -87.6 | -35.6 | 0 | 0 | 0 | 111.7 | ||||
| 384 | N | 43.1 | Very low | 36.9 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -75.5 | 145.7 | 174.9 | -68.1 | -72.9 | 0 | 0 | 0 | 111.9 | ||||
| 385 | N | 40.3 | Very low | 36.7 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -178.3 | 107.2 | 133.4 | -90.4 | -35.1 | 0 | 0 | 0 | 109.6 | ||||
| 386 | K | 40.7 | Very low | 36.8 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | 70 | 97.8 | 89.4 | -75 | -174.6 | -176.6 | 172.8 | 0 | 115.3 | |||||
| 387 | M | 37.4 | Very low | 36.6 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | -169.4 | 158.9 | 117.6 | -104.2 | -62.6 | 177.2 | 0 | 0 | 112.1 | |||||
| 388 | Y | 34.1 | Very low | 36.6 | Very low | 216 Ų | 216 | 150 Ų | 150 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -96.2 | 162.3 | -156.3 | -86.1 | -105.2 | 0 | 0 | 0 | 116.4 | ||||
| 389 | P | 37.9 | Very low | 36.6 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -95.2 | 158.3 | 174.3 | 38 | -35 | 0 | 0 | 0 | 114.9 | ||||
| 390 | K | 39.8 | Very low | 36.4 | Very low | 201 Ų | 201 | 152.1 Ų | 152.1 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -149.7 | 141.8 | 162.7 | -78.9 | -179.5 | 177.4 | 175.7 | 0 | 106.2 | ||||
| 391 | T | 35 | Very low | 36.4 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | cis | -160.1 | 143.4 | 6.8 | 8.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 392 | P | 37.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 159.2 Ų | 159.2 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -91 | 158.1 | 170.3 | 36.4 | -32.9 | 0 | 0 | 0 | 111.8 | ||||
| 393 | N | 34.9 | Very low | 35.5 | Very low | 140 Ų | 140 | 159 Ų | 159 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -149 | 108.2 | 166.1 | -145.3 | -2.2 | 0 | 0 | 0 | 112 | ||||
| 394 | I | 35.3 | Very low | 34.9 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 40.1 | 140.8 | 131.4 | -58.9 | -179.3 | 0 | 0 | 0 | 118.3 | ||||
| 395 | S | 31.9 | Very low | 34.2 | Very low | 93 Ų | 93 | 156 Ų | 156 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | cis | 173.8 | 136.8 | -14.7 | 171.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 396 | T | 34.9 | Very low | 33.7 | Very low | 129 Ų | 129 | 154.2 Ų | 154.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -166.7 | 134.6 | 130.8 | 4.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 397 | Q | 33.6 | Very low | 33.1 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 64.6 | 93.4 | 154.2 | -51.8 | -140.9 | 12.1 | 0 | 0 | 120.2 | ||||
| 398 | R | 31.3 | Very low | 32.6 | Very low | 231 Ų | 231 | 156 Ų | 156 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -45.2 | 137.9 | 140.3 | -74.9 | 167.6 | 153.1 | 169.6 | -8.9 | 111.8 | ||||
| 399 | K | 32.5 | Very low | 32.3 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | -142.8 | 120.8 | 124.1 | -85.4 | -168.2 | -178.9 | 176.5 | 0 | 109.2 | |||||
| 400 | S | 30.2 | Very low | 32.1 | Very low | 88 Ų | 88 | 152.4 Ų | 152.4 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | trans | -121.5 | 107.7 | 178.4 | 49.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 401 | Y | 32.3 | Very low | 31.5 | Very low | 217 Ų | 217 | 150 Ų | 150 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -146.9 | 144.6 | 165.4 | -69.8 | -68.5 | 0 | 0 | 0 | 109.4 | ||||
| 402 | E | 29.6 | Very low | 31.3 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -73.7 | 176.2 | -177.9 | -66.2 | 149.3 | 109.1 | 0 | 0 | 112.9 | ||||
| 403 | S | 31 | Very low | 30.9 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 115 | 151.1 | 147.1 | -158.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 404 | S | 30.1 | Very low | 30.6 | Very low | 99 Ų | 99 | 147 Ų | 147 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | 62.6 | 110.5 | 171.2 | 52 | 0 | 0 | 0 | 0 | 117.9 | S406 | S404-S406 PolarHBondContact O-N 3.11Š| ||
| 405 | N | 27.4 | Very low | 30.4 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | trans | -37.6 | 108.6 | 142.4 | -73.6 | -32.6 | 0 | 0 | 0 | 110.9 | ||||
| 406 | S | 30.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -119.5 | 107.2 | 158.5 | 63.7 | 0 | 0 | 0 | 0 | 107.5 | S404 R408 | S404-S406 PolarHBondContact O-N 3.11Å; S406-R408 PolarHBondContact O-N 3.47Å | ||
| 407 | H | 27.6 | Very low | 30 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -46.2 | 117 | 170.9 | -74 | -99.9 | 0 | 0 | 0 | 108.8 | I409 | H407-I409 HydrophobicContact CB-CG1 3.84Å; H407-I409 PolarHBondContact O-N 3.48Å | ||
| 408 | R | 27.4 | Very low | 29.8 | Very low | 235 Ų | 235 | 149 Ų | 149 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -75.1 | 77.6 | 165.2 | -160.2 | 176 | -165.3 | -177.7 | 4.7 | 106.9 | S406 I410 | S406-R408 PolarHBondContact O-N 3.47Å; R408-I410 PolarHBondContact O-N 3.48Å | ||
| 409 | I | 27.6 | Very low | 29.7 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | -60.2 | 93.5 | 170.6 | -58.6 | 174.7 | 0 | 0 | 0 | 105.7 | H407 N411 | H407-I409 HydrophobicContact CB-CG1 3.84Å; H407-I409 PolarHBondContact O-N 3.48Å; I409-N411 WeakPolarHBondContact CG2-OD1 3.42Å; I409-N411 PolarHBondContact O-N 3.22Å; I409-N411 VanDerWaalsContact O-N 3.13Å | ||
| 410 | I | 32.5 | Very low | 29.9 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | trans | -69.4 | 107.9 | 161 | -55.9 | 179.2 | 0 | 0 | 0 | 103.8 | R408 V412 | R408-I410 PolarHBondContact O-N 3.48Å; I410-V412 HydrophobicContact CB-CG2 4.25Å; I410-V412 HydrophobicContact CG2-CG2 3.62Å; I410-V412 PolarHBondContact O-N 3.22Å | ||
| 411 | N | 27.5 | Very low | 30.1 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -63.6 | 75.3 | 166.3 | -81.7 | -13.8 | 0 | 0 | 0 | 108.8 | I409 A413 | I409-N411 WeakPolarHBondContact CG2-OD1 3.42Å; I409-N411 PolarHBondContact O-N 3.22Å; I409-N411 VanDerWaalsContact O-N 3.13Å; N411-A413 VanDerWaalsContact C-N 3.32Å; N411-A413 PolarHBondContact O-N 2.63Å; N411-A413 VanDerWaalsContact O-N 3.15Å | ||
| 412 | V | 32 | Very low | 30.4 | Very low | 87 Ų | 87 | 140.9 Ų | 140.9 | 53% | 0.527 | 76% | 0.756 | S | S | . | * | trans | -75.9 | 95.8 | 161 | -175.1 | 0 | 0 | 0 | 0 | 104.9 | I410 R415 | I410-V412 HydrophobicContact CB-CG2 4.25Å; I410-V412 HydrophobicContact CG2-CG2 3.62Å; I410-V412 PolarHBondContact O-N 3.22Å; V412-R415 HydrophobicContact CG1-CG 4.05Å | ||
| 413 | A | 29 | Very low | 31 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | trans | -46.1 | 142.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N411 R415 | N411-A413 VanDerWaalsContact C-N 3.32Å; N411-A413 PolarHBondContact O-N 2.63Å; N411-A413 VanDerWaalsContact O-N 3.15Å; A413-R415 PolarHBondContact O-N 2.82Å | ||
| 414 | D | 27.3 | Very low | 31.7 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | -26.5 | 97.1 | -177.6 | -75.2 | -52.3 | 0 | 0 | 0 | 113.1 | Q416 | D414-Q416 PolarHBondContact O-N 3.38Š| ||
| 415 | R | 32.7 | Very low | 32.7 | Very low | 207 Ų | 207 | 136.9 Ų | 136.9 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | trans | -78.4 | 70 | 169.2 | -74.6 | -165.4 | 172.6 | -159.7 | -1.1 | 108.9 | V412 A413 S417 | V412-R415 HydrophobicContact CG1-CG 4.05Å; A413-R415 PolarHBondContact O-N 2.82Å; R415-S417 PolarHBondContact O-N 2.89Å | ||
| 416 | Q | 29.1 | Very low | 34 | Very low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | trans | -36.3 | 133.2 | 149.7 | -67 | -176.6 | -3.7 | 0 | 0 | 108.2 | D414 V418 | D414-Q416 PolarHBondContact O-N 3.38Å; Q416-V418 VanDerWaalsContact C-N 3.34Å; Q416-V418 PolarHBondContact O-N 3.02Å | ||
| 417 | S | 28.3 | Very low | 35.1 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -46.6 | 90.8 | -168.5 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | R415 K419 | R415-S417 PolarHBondContact O-N 2.89Å; S417-K419 VanDerWaalsContact C-N 3.28Å; S417-K419 PolarHBondContact O-N 3.24Å | ||
| 418 | V | 30.1 | Very low | 36.4 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 61% | 0.606 | 66% | 0.655 | S | S | * | * | trans | -67 | 99.4 | 164.4 | -179.9 | 0 | 0 | 0 | 0 | 104.7 | Q416 L420 | Q416-V418 VanDerWaalsContact C-N 3.34Å; Q416-V418 PolarHBondContact O-N 3.02Å; V418-L420 HydrophobicContact CG1-CD2 3.98Å; V418-L420 HydrophobicContact CG1-CG 4.3Å; V418-L420 PolarHBondContact O-N 3.22Å | ||
| 419 | K | 29.4 | Very low | 37.8 | Very low | 203 Ų | 203 | 116.3 Ų | 116.3 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -56.2 | 87.9 | 162.6 | -95.7 | -178.8 | 170.3 | 176.8 | 0 | 107 | S417 S421 | S417-K419 VanDerWaalsContact C-N 3.28Å; S417-K419 PolarHBondContact O-N 3.24Å; K419-S421 PolarHBondContact O-N 2.85Å; K419-S421 VanDerWaalsContact O-N 3.14Å | ||
| 420 | L | 36.8 | Very low | 39.2 | Very low | 151 Ų | 151 | 114.4 Ų | 114.4 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 117.8 | 173.8 | -73.3 | 170.9 | 0 | 0 | 0 | 106.3 | V418 | V418-L420 HydrophobicContact CG1-CD2 3.98Å; V418-L420 HydrophobicContact CG1-CG 4.3Å; V418-L420 PolarHBondContact O-N 3.22Å |
| 421 | S | 32.6 | Very low | 40.4 | Very low | 98 Ų | 98 | 111.3 Ų | 111.3 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 131.6 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | K419 V423 | K419-S421 PolarHBondContact O-N 2.85Å; K419-S421 VanDerWaalsContact O-N 3.14Å; S421-V423 PolarHBondContact O-N 2.87Å |
| 422 | P | 38.5 | Very low | 42 | Very low | 109 Ų | 109 | 104.9 Ų | 104.9 | 71% | 0.708 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 139 | 175.4 | 22.9 | -32.6 | 0 | 0 | 0 | 109.4 | T424 | P422-T424 PolarHBondContact O-N 3.14Š|
| 423 | V | 44.3 | Very low | 43.5 | Very low | 115 Ų | 115 | 106.7 Ų | 106.7 | 70% | 0.697 | 59% | 0.586 | S | S | * | * | trans | -60.1 | 103 | 175.5 | 176.1 | 0 | 0 | 0 | 0 | 107.2 | S421 T427 | S421-V423 PolarHBondContact O-N 2.87Å; V423-T427 WeakPolarHBondContact CG1-OG1 3.36Å | ||
| 424 | T | 45.5 | Very low | 45.2 | Very low | 61 Ų | 61 | 110 Ų | 110 | 37% | 0.374 | 59% | 0.585 | S | S | . | * | trans | -58.7 | 150.6 | -176.8 | 68.2 | 0 | 0 | 0 | 0 | 110.4 | P422 S426 T427 S428 | P422-T424 PolarHBondContact O-N 3.14Å; T424-S426 PolarHBondContact O-N 3.02Å; T424-S426 PolarHBondContact OG1-OG 3.39Å; T424-T427 PolarHBondContact N-OG1 3.19Å; T424-T427 VanDerWaalsContact N-OG1 3.15Å; T424-T427 PolarHBondContact O-N 3.09Å; T424-T427 PolarHBondContact O-OG1 3.08Å; T424-T427 PolarHBondContact OG1-OG1 2.99Å; T424-T427 VanDerWaalsContact OG1-OG1 3.11Å; T424-S428 PolarHBondContact O-N 3.19Å | ||
| 425 | R | 49.5 | Very low | 46.6 | Very low | 142 Ų | 142 | 107.1 Ų | 107.1 | 54% | 0.536 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -51.8 | -26.9 | 173.2 | -74.8 | -180 | 168.2 | -163 | -8.2 | 113 | D345 S428 L429 | D345-R425 IonicContact OD1-CZ 3.04Å; D345-R425 IonicContact OD1-NE 2.63Å; D345-R425 PolarHBondContact OD1-NE 3.04Å; D345-R425 VanDerWaalsContact OD1-NE 3.14Å; D345-R425 IonicContact OD1-NH2 3.22Å; D345-R425 PolarHBondContact OD1-NH2 2.91Å; R425-S428 PolarHBondContact O-OG 2.89Å; R425-S428 VanDerWaalsContact O-OG 3.13Å; R425-L429 VanDerWaalsContact O-CB 3.29Å; R425-L429 WeakPolarHBondContact O-CB 3.49Å; R425-L429 WeakPolarHBondContact O-CD1 3.49Å; R425-L429 WeakPolarHBondContact O-CG 3.44Å; R425-L429 PolarHBondContact O-N 3.11Å |
| 426 | S | 54.6 | Low | 47.7 | Very low | 48 Ų | 48 | 100.1 Ų | 100.1 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.6 | -36.7 | 175.6 | 79.4 | 0 | 0 | 0 | 0 | 113.5 | T424 C430 | T424-S426 PolarHBondContact O-N 3.02Å; T424-S426 PolarHBondContact OG1-OG 3.39Å; S426-C430 VanDerWaalsContact O-CB 3.32Å; S426-C430 WeakPolarHBondContact O-CB 3.17Å; S426-C430 PolarHBondContact O-N 3.24Å; S426-C430 VanDerWaalsContact O-N 3.08Å |
| 427 | T | 53.6 | Low | 49 | Very low | 67 Ų | 67 | 96.9 Ų | 96.9 | 41% | 0.411 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.3 | -40.6 | 178.5 | 27.9 | 0 | 0 | 0 | 0 | 112.1 | V423 T424 C430 V431 | V423-T427 WeakPolarHBondContact CG1-OG1 3.36Å; T424-T427 PolarHBondContact N-OG1 3.19Å; T424-T427 VanDerWaalsContact N-OG1 3.15Å; T424-T427 PolarHBondContact O-N 3.09Å; T424-T427 PolarHBondContact O-OG1 3.08Å; T424-T427 PolarHBondContact OG1-OG1 2.99Å; T424-T427 VanDerWaalsContact OG1-OG1 3.11Å; T427-C430 PolarHBondContact O-N 3.37Å; T427-V431 WeakPolarHBondContact O-CG2 3.33Å; T427-V431 PolarHBondContact O-N 2.86Å; T427-V431 VanDerWaalsContact O-N 3.09Å |
| 428 | S | 55.4 | Low | 50 | Low | 44 Ų | 44 | 96.6 Ų | 96.6 | 31% | 0.308 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 174.5 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | T424 R425 C430 V431 A432 | T424-S428 PolarHBondContact O-N 3.19Å; R425-S428 PolarHBondContact O-OG 2.89Å; R425-S428 VanDerWaalsContact O-OG 3.13Å; S428-C430 VanDerWaalsContact C-N 3.31Å; S428-C430 PolarHBondContact O-N 3.1Å; S428-V431 PolarHBondContact O-N 3.05Å; S428-A432 WeakPolarHBondContact O-CB 3.4Å; S428-A432 PolarHBondContact O-N 3.08Å |
| 429 | L | 57.4 | Low | 50.7 | Low | 85 Ų | 85 | 100 Ų | 100 | 45% | 0.445 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 172.9 | -81.9 | 164.8 | 0 | 0 | 0 | 112.9 | R425 K433 | R425-L429 VanDerWaalsContact O-CB 3.29Å; R425-L429 WeakPolarHBondContact O-CB 3.49Å; R425-L429 WeakPolarHBondContact O-CD1 3.49Å; R425-L429 WeakPolarHBondContact O-CG 3.44Å; R425-L429 PolarHBondContact O-N 3.11Å; L429-K433 VanDerWaalsContact O-CB 3.24Å; L429-K433 WeakPolarHBondContact O-CB 3.48Å; L429-K433 PolarHBondContact O-N 2.94Å |
| 430 | C | 57.5 | Low | 51.4 | Low | 87 Ų | 87 | 94.5 Ų | 94.5 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 176.5 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | S426 T427 S428 K434 | S426-C430 VanDerWaalsContact O-CB 3.32Å; S426-C430 WeakPolarHBondContact O-CB 3.17Å; S426-C430 PolarHBondContact O-N 3.24Å; S426-C430 VanDerWaalsContact O-N 3.08Å; T427-C430 PolarHBondContact O-N 3.37Å; S428-C430 VanDerWaalsContact C-N 3.31Å; S428-C430 PolarHBondContact O-N 3.1Å; C430-K434 WeakPolarHBondContact O-CB 3.4Å; C430-K434 PolarHBondContact O-N 3.29Å |
| 431 | V | 57.2 | Low | 51.2 | Low | 64 Ų | 64 | 90.8 Ų | 90.8 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | F357 T427 S428 K433 K434 L435 | F357-V431 HydrophobicContact CD1-CG1 3.97Å; F357-V431 HydrophobicContact CE1-CG1 3.97Å; T427-V431 WeakPolarHBondContact O-CG2 3.33Å; T427-V431 PolarHBondContact O-N 2.86Å; T427-V431 VanDerWaalsContact O-N 3.09Å; S428-V431 PolarHBondContact O-N 3.05Å; V431-K433 PolarHBondContact O-N 2.99Å; V431-K434 WeakPolarHBondContact O-CB 3.48Å; V431-K434 PolarHBondContact O-N 3Å; V431-K434 VanDerWaalsContact O-N 3.11Å; V431-L435 HydrophobicContact CG1-CD1 4.05Å; V431-L435 HydrophobicContact CG1-CG 4.43Å; V431-L435 WeakPolarHBondContact O-CG 3.41Å; V431-L435 PolarHBondContact O-N 3.15Å |
| 432 | A | 60.7 | Low | 51.6 | Low | 16 Ų | 16 | 91.5 Ų | 91.5 | 13% | 0.132 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F337 S428 K434 L435 A436 | F337-A432 HydrophobicContact CE1-CB 3.93Å; S428-A432 WeakPolarHBondContact O-CB 3.4Å; S428-A432 PolarHBondContact O-N 3.08Å; A432-K434 VanDerWaalsContact C-N 3.32Å; A432-K434 PolarHBondContact O-N 3.2Å; A432-L435 PolarHBondContact O-N 2.97Å; A432-A436 WeakPolarHBondContact O-CB 3.41Å; A432-A436 PolarHBondContact O-N 3.09Å |
| 433 | K | 62.8 | Low | 51.7 | Low | 124 Ų | 124 | 90.1 Ų | 90.1 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -32.6 | 177.8 | -167.1 | 166.5 | -173.3 | 168.5 | 0 | 112.4 | L429 V431 S437 | L429-K433 VanDerWaalsContact O-CB 3.24Å; L429-K433 WeakPolarHBondContact O-CB 3.48Å; L429-K433 PolarHBondContact O-N 2.94Å; V431-K433 PolarHBondContact O-N 2.99Å; K433-S437 VanDerWaalsContact O-CB 3.25Å; K433-S437 WeakPolarHBondContact O-CB 3.26Å; K433-S437 PolarHBondContact O-N 3.37Å |
| 434 | K | 65 | Low | 51.4 | Low | 153 Ų | 153 | 90 Ų | 90 | 67% | 0.665 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.4 | -39.4 | 174 | -166.3 | 176.1 | -178.2 | -174.9 | 0 | 111.9 | C430 V431 A432 S437 I438 | C430-K434 WeakPolarHBondContact O-CB 3.4Å; C430-K434 PolarHBondContact O-N 3.29Å; V431-K434 WeakPolarHBondContact O-CB 3.48Å; V431-K434 PolarHBondContact O-N 3Å; V431-K434 VanDerWaalsContact O-N 3.11Å; A432-K434 VanDerWaalsContact C-N 3.32Å; A432-K434 PolarHBondContact O-N 3.2Å; K434-S437 PolarHBondContact O-N 2.88Å; K434-I438 WeakPolarHBondContact O-CG1 3.31Å; K434-I438 PolarHBondContact O-N 2.96Å |
| 435 | L | 58.1 | Low | 51 | Low | 94 Ų | 94 | 96.8 Ų | 96.8 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.2 | -47.6 | 174.5 | -69.5 | 173.5 | 0 | 0 | 0 | 111.8 | F357 V431 A432 S437 I438 | F357-L435 HydrophobicContact CE1-CD1 4.19Å; V431-L435 HydrophobicContact CG1-CD1 4.05Å; V431-L435 HydrophobicContact CG1-CG 4.43Å; V431-L435 WeakPolarHBondContact O-CG 3.41Å; V431-L435 PolarHBondContact O-N 3.15Å; A432-L435 PolarHBondContact O-N 2.97Å; L435-S437 PolarHBondContact O-N 3.48Å; L435-I438 HydrophobicContact CD2-CD1 4.48Å; L435-I438 WeakPolarHBondContact O-CB 3.28Å; L435-I438 PolarHBondContact O-N 3.31Å |
| 436 | A | 54.8 | Low | 50 | Low | 60 Ų | 60 | 94.7 Ų | 94.7 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -24.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V334 A432 I438 | V334-A436 HydrophobicContact CG2-CB 4.49Å; A432-A436 WeakPolarHBondContact O-CB 3.41Å; A432-A436 PolarHBondContact O-N 3.09Å; A436-I438 VanDerWaalsContact C-N 3.35Å |
| 437 | S | 56.6 | Low | 49.2 | Very low | 97 Ų | 97 | 97 Ų | 97 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -15.1 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 113.7 | K433 K434 L435 Q439 | K433-S437 VanDerWaalsContact O-CB 3.25Å; K433-S437 WeakPolarHBondContact O-CB 3.26Å; K433-S437 PolarHBondContact O-N 3.37Å; K434-S437 PolarHBondContact O-N 2.88Å; L435-S437 PolarHBondContact O-N 3.48Å; S437-Q439 VanDerWaalsContact C-N 3.33Å; S437-Q439 PolarHBondContact O-N 3.23Å; S437-Q439 VanDerWaalsContact O-N 3.16Å |
| 438 | I | 49.3 | Very low | 48.2 | Very low | 111 Ų | 111 | 103.4 Ų | 103.4 | 57% | 0.569 | 59% | 0.586 | S | S | * | * | trans | -84.8 | 83.5 | 171.9 | -61.9 | 161.9 | 0 | 0 | 0 | 106.6 | K434 L435 A436 | K434-I438 WeakPolarHBondContact O-CG1 3.31Å; K434-I438 PolarHBondContact O-N 2.96Å; L435-I438 HydrophobicContact CD2-CD1 4.48Å; L435-I438 WeakPolarHBondContact O-CB 3.28Å; L435-I438 PolarHBondContact O-N 3.31Å; A436-I438 VanDerWaalsContact C-N 3.35Å | ||
| 439 | Q | 45.6 | Very low | 47.1 | Very low | 170 Ų | 170 | 105.3 Ų | 105.3 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 127.3 | 162.5 | -79.6 | -156.6 | -6.9 | 0 | 0 | 108.2 | S437 S441 | S437-Q439 VanDerWaalsContact C-N 3.33Å; S437-Q439 PolarHBondContact O-N 3.23Å; S437-Q439 VanDerWaalsContact O-N 3.16Å; Q439-S441 PolarHBondContact O-N 3.19Å |
| 440 | P | 44.3 | Very low | 45.8 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 57% | 0.571 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 130.3 | 171.1 | 25.5 | -32.5 | 0 | 0 | 0 | 108.2 | ||
| 441 | S | 32.9 | Very low | 44.7 | Very low | 74 Ų | 74 | 112.7 Ų | 112.7 | 52% | 0.517 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 131.7 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | Q439 A443 V444 | Q439-S441 PolarHBondContact O-N 3.19Å; S441-A443 PolarHBondContact O-N 2.89Å; S441-V444 PolarHBondContact O-N 3.04Å |
| 442 | P | 40.3 | Very low | 43.4 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -54 | -21.6 | 178.4 | -28.3 | 35.3 | 0 | 0 | 0 | 113.9 | V444 Y445 | P442-V444 PolarHBondContact O-N 3.16Å; P442-V444 VanDerWaalsContact O-N 3.16Å; P442-Y445 PolarHBondContact O-N 2.75Å |
| 443 | A | 39.4 | Very low | 41.9 | Very low | 80 Ų | 80 | 117.9 Ų | 117.9 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -62.1 | -14.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S441 | S441-A443 PolarHBondContact O-N 2.89Š|
| 444 | V | 39.9 | Very low | 40.3 | Very low | 113 Ų | 113 | 118.2 Ų | 118.2 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -80.5 | -18.2 | 177.6 | -173.3 | 0 | 0 | 0 | 0 | 112 | S441 P442 S446 | S441-V444 PolarHBondContact O-N 3.04Å; P442-V444 PolarHBondContact O-N 3.16Å; P442-V444 VanDerWaalsContact O-N 3.16Å; V444-S446 VanDerWaalsContact C-N 3.3Å; V444-S446 PolarHBondContact O-N 3.44Å; V444-S446 VanDerWaalsContact O-N 3.12Å |
| 445 | Y | 35.4 | Very low | 38.7 | Very low | 203 Ų | 203 | 118.7 Ų | 118.7 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | trans | -87.5 | 66 | 170.9 | -76.3 | -83.1 | 0 | 0 | 0 | 111.4 | P442 | P442-Y445 PolarHBondContact O-N 2.75Š| ||
| 446 | S | 29.7 | Very low | 37.5 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | trans | -133.6 | 43.8 | 169.6 | -147.7 | 0 | 0 | 0 | 0 | 112.8 | V444 K448 | V444-S446 VanDerWaalsContact C-N 3.3Å; V444-S446 PolarHBondContact O-N 3.44Å; V444-S446 VanDerWaalsContact O-N 3.12Å; S446-K448 PolarHBondContact O-N 2.98Å | ||
| 447 | S | 36.8 | Very low | 36.4 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | trans | -84.3 | 96.4 | 163.9 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | S449 | S447-S449 PolarHBondContact O-N 3.33Š| ||
| 448 | K | 32.6 | Very low | 35.1 | Very low | 201 Ų | 201 | 128.4 Ų | 128.4 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | trans | -66.5 | 72.2 | 163.2 | -68.3 | 179.1 | 178.7 | 177.5 | 0 | 110 | S446 L450 | S446-K448 PolarHBondContact O-N 2.98Å; K448-L450 PolarHBondContact O-N 3.18Å | ||
| 449 | S | 32.1 | Very low | 34.3 | Very low | 83 Ų | 83 | 129 Ų | 129 | 58% | 0.58 | 74% | 0.738 | S | S | * | * | trans | -88.4 | 95.3 | 166.7 | 60.1 | 0 | 0 | 0 | 0 | 109 | S447 I451 | S447-S449 PolarHBondContact O-N 3.33Å; S449-I451 PolarHBondContact O-N 3.07Å | ||
| 450 | L | 31.7 | Very low | 33.7 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | trans | -66.1 | 83.4 | 161.2 | -79.9 | 159.7 | 0 | 0 | 0 | 108.5 | K448 | K448-L450 PolarHBondContact O-N 3.18Š| ||
| 451 | I | 33.2 | Very low | 33.1 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -102.9 | 101.2 | 163.3 | -61.2 | 179.8 | 0 | 0 | 0 | 106.2 | S449 | S449-I451 PolarHBondContact O-N 3.07Š| ||
| 452 | S | 31 | Very low | 33 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -67.6 | 163 | 177.1 | 41.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 453 | S | 28 | Very low | 32.4 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | 80.6 | 106.6 | 163.3 | -43.7 | 0 | 0 | 0 | 0 | 116.8 | L455 | S453-L455 PolarHBondContact O-N 3.43Š| ||
| 454 | P | 30.7 | Very low | 32 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -73.8 | 100 | 154.1 | 31.2 | -29.2 | 0 | 0 | 0 | 108.5 | K456 | P454-K456 PolarHBondContact O-N 3.2Š| ||
| 455 | L | 31.2 | Very low | 31.5 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -68.9 | 100.1 | 170.8 | -84.4 | 173.5 | 0 | 0 | 0 | 109.8 | S453 M457 | S453-L455 PolarHBondContact O-N 3.43Å; L455-M457 PolarHBondContact O-N 3.46Å; L455-M457 VanDerWaalsContact O-N 3.08Å | ||
| 456 | K | 32.3 | Very low | 31.6 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -77.8 | 83.2 | 177.5 | -173.7 | -179.8 | 178.8 | -178.8 | 0 | 110.4 | P454 | P454-K456 PolarHBondContact O-N 3.2Š| ||
| 457 | M | 31.2 | Very low | 32 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -140.1 | 142.1 | 158.3 | -63.7 | -153.9 | -56 | 0 | 0 | 107.2 | L455 | L455-M457 PolarHBondContact O-N 3.46Å; L455-M457 VanDerWaalsContact O-N 3.08Å | ||
| 458 | G | 30.3 | Very low | 31.8 | Very low | 63 Ų | 63 | 136.4 Ų | 136.4 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | cis | 169.3 | 131.2 | 0.1 | 0 | 0 | 0 | 0 | 0 | 105 | P460 | G458-P460 VanDerWaalsContact O-CD 3.28Å; G458-P460 WeakPolarHBondContact O-CD 3.41Å | ||
| 459 | V | 30.7 | Very low | 31.8 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -64.7 | 121.3 | -172.7 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | D461 | V459-D461 VanDerWaalsContact C-N 3.32Å; V459-D461 HydrophobicContact CG1-CB 4.17Å; V459-D461 WeakPolarHBondContact CG1-OD2 3.11Å; V459-D461 PolarHBondContact O-N 2.65Å | ||
| 460 | P | 33.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -93.1 | 65.9 | 175.1 | 37 | -30 | 0 | 0 | 0 | 109.9 | G458 | G458-P460 VanDerWaalsContact O-CD 3.28Å; G458-P460 WeakPolarHBondContact O-CD 3.41Å | ||
| 461 | D | 32.9 | Very low | 32.1 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -90.2 | 115.3 | 164.6 | -80.9 | -34.7 | 0 | 0 | 0 | 108.9 | V459 | V459-D461 VanDerWaalsContact C-N 3.32Å; V459-D461 HydrophobicContact CG1-CB 4.17Å; V459-D461 WeakPolarHBondContact CG1-OD2 3.11Å; V459-D461 PolarHBondContact O-N 2.65Å | ||
| 462 | N | 29.4 | Very low | 32.1 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 77.1 | 154.6 | 171.6 | -56.3 | -46.7 | 0 | 0 | 0 | 119 | ||
| 463 | C | 27.9 | Very low | 32.5 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 74.7 | 80 | 171.1 | -57.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 464 | F | 32.3 | Very low | 33 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | -141.6 | 137.7 | 125.2 | -95 | -68.8 | 0 | 0 | 0 | 111.6 | |||||
| 465 | L | 29.4 | Very low | 33.5 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | -58.8 | 138.2 | -164.5 | -67.1 | 75.9 | 0 | 0 | 0 | 114.4 | ||||
| 466 | S | 37.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 147 Ų | 147 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -100.6 | 107 | 148.3 | -66.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 467 | D | 36.7 | Very low | 34.3 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -63.1 | 144.5 | 174.9 | -93.4 | -42.2 | 0 | 0 | 0 | 112.3 | ||||
| 468 | G | 32.3 | Very low | 34.4 | Very low | 60 Ų | 60 | 148.6 Ų | 148.6 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | trans | 67.1 | 100.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 469 | Y | 33.7 | Very low | 34.6 | Very low | 246 Ų | 246 | 153.1 Ų | 153.1 | 97% | 0.965 | 82% | 0.815 | S | S | * | * | -175.8 | 130 | 87 | -103.8 | -83.5 | 0 | 0 | 0 | 110.2 | |||||
| 470 | K | 33.2 | Very low | 34.8 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | -90.6 | 126.4 | -173.6 | -174.1 | -173.6 | -173.7 | -174.2 | 0 | 110.1 | ||||
| 471 | L | 36.5 | Very low | 34.9 | Very low | 171 Ų | 171 | 156.6 Ų | 156.6 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -153 | 110 | 160.1 | -112.1 | 159.4 | 0 | 0 | 0 | 109.4 | ||||
| 472 | C | 33 | Very low | 35 | Very low | 95 Ų | 95 | 158.3 Ų | 158.3 | 64% | 0.642 | 83% | 0.828 | S | S | * | * | trans | -100.8 | 131.5 | -179.1 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 473 | V | 39.5 | Very low | 35.4 | Very low | 129 Ų | 129 | 158.8 Ų | 158.8 | 78% | 0.782 | 83% | 0.829 | S | S | * | * | trans | -163.7 | 112.4 | 150.4 | -177.6 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 474 | E | 38.9 | Very low | 36 | Very low | 167 Ų | 167 | 162.1 Ų | 162.1 | 78% | 0.78 | 83% | 0.834 | S | S | * | * | cis | 72 | 81 | 34.1 | -158.5 | 171.7 | -130.9 | 0 | 0 | 114.7 | ||||
| 475 | E | 40.5 | Very low | 36.2 | Very low | 178 Ų | 178 | 158.8 Ų | 158.8 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -168.4 | 104.1 | 155.8 | -104 | 166.5 | -168.4 | 0 | 0 | 104.5 | ||||
| 476 | N | 37.7 | Very low | 36.8 | Very low | 149 Ų | 149 | 160.3 Ų | 160.3 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | 62 | 81.2 | 68 | -72.4 | -18.6 | 0 | 0 | 0 | 114.8 | |||||
| 477 | E | 42.3 | Very low | 36.8 | Very low | 278 Ų | 278 | 163.6 Ų | 163.6 | 100% | 1.299 | 83% | 0.834 | S | S | * | * | -151.9 | 0 | 122.9 | -112.9 | -176.8 | 175.7 | 0 | 0 | 110.2 |
Retrieved 477 of 477 residues in 113.3 ms
(Link to these results)