| 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 | 35.8 | Very low | 36.2 | Very low | 251 Ų | 251 | 164.3 Ų | 164.3 | 100% | 1.236 | 84% | 0.84 | S | S | * | * | 0 | 101.1 | 0 | -67.7 | 178.6 | 176.7 | 0 | 0 | 106.2 | |||||
| 2 | G | 34.7 | Very low | 35.9 | Very low | 74 Ų | 74 | 168.1 Ų | 168.1 | 76% | 0.763 | 85% | 0.846 | S | S | * | * | 106.1 | 89.6 | 94.9 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 3 | S | 35.5 | Very low | 35.6 | Very low | 124 Ų | 124 | 171.5 Ų | 171.5 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | 73.8 | 109.1 | 101.4 | -93.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 4 | T | 36 | Very low | 35.5 | Very low | 127 Ų | 127 | 173.9 Ų | 173.9 | 78% | 0.779 | 86% | 0.855 | S | S | * | * | trans | -146.3 | 98.3 | 152.9 | 36.5 | 0 | 0 | 0 | 0 | 111.3 | E6 | T4-E6 VanDerWaalsContact C-N 3.35Å; T4-E6 PolarHBondContact O-N 3.45Å | ||
| 5 | E | 35.5 | Very low | 35.3 | Very low | 180 Ų | 180 | 173.7 Ų | 173.7 | 84% | 0.841 | 86% | 0.859 | S | S | * | * | 50.2 | 24.5 | 116.8 | -135.8 | 159.9 | -158.5 | 0 | 0 | 122 | |||||
| 6 | E | 37.3 | Very low | 34.9 | Very low | 189 Ų | 189 | 168.8 Ų | 168.8 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | trans | -90.8 | -9.8 | 170.9 | -94 | -172.4 | 152.8 | 0 | 0 | 115.2 | T4 | T4-E6 VanDerWaalsContact C-N 3.35Å; T4-E6 PolarHBondContact O-N 3.45Å | ||
| 7 | D | 36.8 | Very low | 34.6 | Very low | 123 Ų | 123 | 171.1 Ų | 171.1 | 66% | 0.658 | 86% | 0.857 | S | S | * | * | trans | -114.9 | 25.4 | -167.5 | -123.2 | -17 | 0 | 0 | 0 | 115.6 | K9 | D7-K9 WeakPolarHBondContact O-CG 3.47Å; D7-K9 PolarHBondContact O-N 2.99Å | ||
| 8 | K | 35.7 | Very low | 34.3 | Very low | 191 Ų | 191 | 168.3 Ų | 168.3 | 83% | 0.83 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -92 | 58.2 | 156.1 | -81.5 | -178.9 | -178.2 | 169.9 | 0 | 110.6 | ||
| 9 | K | 35.2 | Very low | 34.1 | Very low | 148 Ų | 148 | 169.6 Ų | 169.6 | 64% | 0.643 | 86% | 0.856 | S | S | * | * | 42.4 | 97 | 118.6 | -82.2 | 166.5 | 176.9 | 168.4 | 0 | 114.5 | D7 K11 | D7-K9 WeakPolarHBondContact O-CG 3.47Å; D7-K9 PolarHBondContact O-N 2.99Å; K9-K11 PolarHBondContact O-N 2.95Å | |||
| 10 | K | 39.1 | Very low | 33.9 | Very low | 207 Ų | 207 | 171.5 Ų | 171.5 | 90% | 0.9 | 86% | 0.858 | S | S | * | * | S | Bend | 56.9 | 12.7 | 100.4 | -69.9 | 173.9 | 172.2 | 167.1 | 0 | 117.9 | |||
| 11 | K | 36.3 | Very low | 33.6 | Very low | 193 Ų | 193 | 174.1 Ų | 174.1 | 84% | 0.839 | 86% | 0.858 | S | S | * | * | trans | -140.4 | 74.2 | 176.7 | -86.6 | -174.7 | 173.8 | 178.3 | 0 | 111.1 | K9 | K9-K11 PolarHBondContact O-N 2.95Š| ||
| 12 | K | 33.3 | Very low | 33.4 | Very low | 210 Ų | 210 | 172.3 Ų | 172.3 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | S | Bend | trans | 165.2 | 81.8 | 149.7 | -96.3 | 168.8 | 176.9 | -178.2 | 0 | 109.7 | ||
| 13 | K | 31.5 | Very low | 33.1 | Very low | 212 Ų | 212 | 174.9 Ų | 174.9 | 92% | 0.922 | 84% | 0.844 | S | S | * | * | trans | -178.3 | 57.8 | 151.2 | -101.8 | 169.3 | -177.6 | -179.2 | 0 | 109 | ||||
| 14 | K | 34.7 | Very low | 32.7 | Very low | 205 Ų | 205 | 177.8 Ų | 177.8 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | trans | -117.1 | 83.2 | 158.2 | -85.7 | -171.6 | 176.5 | -179.2 | 0 | 106.4 | ||||
| 15 | N | 32.3 | Very low | 32.3 | Very low | 171 Ų | 171 | 183.5 Ų | 183.5 | 91% | 0.914 | 85% | 0.851 | S | S | * | * | trans | 177.8 | 88.6 | 155.3 | -100 | -5.2 | 0 | 0 | 0 | 108.9 | ||||
| 16 | A | 29.5 | Very low | 32 | Very low | 95 Ų | 95 | 177.9 Ų | 177.9 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | -158.3 | 111 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | P18 | A16-P18 WeakPolarHBondContact O-CD 3.37Š| ||
| 17 | K | 29.1 | Very low | 31.6 | Very low | 208 Ų | 208 | 177.5 Ų | 177.5 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | trans | -62.1 | 127.6 | 175.1 | -79.4 | 170.7 | 171.6 | 172.9 | 0 | 109.9 | ||||
| 18 | P | 28.8 | Very low | 31.5 | Very low | 121 Ų | 121 | 179.6 Ų | 179.6 | 79% | 0.786 | 85% | 0.85 | S | S | * | * | trans | -81.7 | 124 | 160.9 | -1.4 | 19.7 | 0 | 0 | 0 | 109 | A16 K20 | A16-P18 WeakPolarHBondContact O-CD 3.37Å; P18-K20 PolarHBondContact O-N 3.11Å | ||
| 19 | Q | 30.5 | Very low | 31.3 | Very low | 194 Ų | 194 | 175.3 Ų | 175.3 | 91% | 0.907 | 84% | 0.844 | S | S | * | * | trans | -52.5 | 115.8 | 169.2 | -75.1 | 169.8 | -31.8 | 0 | 0 | 109.7 | R21 | Q19-R21 PolarHBondContact O-N 3.33Š| ||
| 20 | K | 30.3 | Very low | 31.2 | Very low | 206 Ų | 206 | 172.8 Ų | 172.8 | 90% | 0.896 | 85% | 0.845 | S | S | * | * | trans | -71.3 | 112.4 | 168.6 | -91.3 | -176.9 | 174.3 | -179.1 | 0 | 108.7 | P18 | P18-K20 PolarHBondContact O-N 3.11Š| ||
| 21 | R | 27.5 | Very low | 31.1 | Very low | 228 Ų | 228 | 167.5 Ų | 167.5 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -39.7 | 131 | 163 | -76.6 | 173.5 | 160 | 178.3 | -7.3 | 110.5 | Q19 T23 | Q19-R21 PolarHBondContact O-N 3.33Å; R21-T23 PolarHBondContact O-N 3.41Å; R21-T23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | K | 31.2 | Very low | 31.3 | Very low | 213 Ų | 213 | 164 Ų | 164 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | trans | -60.2 | 106.8 | 161.9 | -76 | 176.9 | 174.9 | 177.2 | 0 | 107.1 | ||||
| 23 | T | 28.3 | Very low | 32 | Very low | 128 Ų | 128 | 162.9 Ų | 162.9 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -98.1 | 124.8 | 166.1 | -26.6 | 0 | 0 | 0 | 0 | 106.8 | R21 R25 | R21-T23 PolarHBondContact O-N 3.41Å; R21-T23 VanDerWaalsContact O-N 3.08Å; T23-R25 PolarHBondContact O-N 3.08Å | ||
| 24 | E | 27.5 | Very low | 33.3 | Very low | 185 Ų | 185 | 158.8 Ų | 158.8 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -50.2 | 127.5 | -176.7 | -69 | 159.3 | 148.6 | 0 | 0 | 110.9 | G26 | E24-G26 PolarHBondContact O-N 3.3Å; E24-G26 VanDerWaalsContact O-N 3.13Å | ||
| 25 | R | 28.9 | Very low | 35.4 | Very low | 246 Ų | 246 | 157.5 Ų | 157.5 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | trans | -67.5 | 110.7 | 164.7 | -86.2 | -178.9 | 178.1 | 177 | -0.6 | 106.7 | T23 H27 | T23-R25 PolarHBondContact O-N 3.08Å; R25-H27 PolarHBondContact O-N 3.5Å | ||
| 26 | G | 27.4 | Very low | 37.7 | Very low | 62 Ų | 62 | 150.1 Ų | 150.1 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | trans | -45.1 | 128.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | E24 L28 | E24-G26 PolarHBondContact O-N 3.3Å; E24-G26 VanDerWaalsContact O-N 3.13Å; G26-L28 VanDerWaalsContact C-N 3.32Å; G26-L28 PolarHBondContact O-N 3.46Å | ||
| 27 | H | 30.4 | Very low | 40.4 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -61.7 | 90.3 | 171.4 | -143.6 | -42.6 | 0 | 0 | 0 | 108.2 | R25 S29 | R25-H27 PolarHBondContact O-N 3.5Å; H27-S29 VanDerWaalsContact C-N 3.32Å; H27-S29 PolarHBondContact O-N 3.37Å; H27-S29 VanDerWaalsContact O-N 3.07Å | ||
| 28 | L | 33.6 | Very low | 43.1 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -75.4 | 94.8 | 164.3 | -93.5 | 143.9 | 0 | 0 | 0 | 106.9 | G26 S30 | G26-L28 VanDerWaalsContact C-N 3.32Å; G26-L28 PolarHBondContact O-N 3.46Å; L28-S30 PolarHBondContact O-N 2.86Å | ||
| 29 | S | 31.1 | Very low | 45.9 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -4.4 | 106.4 | 159.8 | 171.9 | 0 | 0 | 0 | 0 | 113.8 | H27 S31 | H27-S29 VanDerWaalsContact C-N 3.32Å; H27-S29 PolarHBondContact O-N 3.37Å; H27-S29 VanDerWaalsContact O-N 3.07Å; S29-S31 PolarHBondContact O-N 3.34Å | ||
| 30 | S | 34.1 | Very low | 48.6 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | trans | -59.9 | 113.9 | 161.3 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | L28 | L28-S30 PolarHBondContact O-N 2.86Š| ||
| 31 | S | 36.6 | Very low | 51.3 | Low | 96 Ų | 96 | 125.7 Ų | 125.7 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | trans | -55 | 149.2 | 157.5 | -56.4 | 0 | 0 | 0 | 0 | 108.7 | S29 E33 | S29-S31 PolarHBondContact O-N 3.34Å; S31-E33 PolarHBondContact O-N 3.37Å | ||
| 32 | P | 41.2 | Very low | 54 | Low | 121 Ų | 121 | 120.4 Ų | 120.4 | 79% | 0.786 | 63% | 0.63 | S | S | * | * | trans | -54.6 | 130.9 | -175.9 | -16.3 | 28.3 | 0 | 0 | 0 | 108.6 | E34 | P32-E34 VanDerWaalsContact C-N 3.26Å; P32-E34 PolarHBondContact O-N 3.46Å | ||
| 33 | E | 48.1 | Very low | 56.6 | Low | 185 Ų | 185 | 114 Ų | 114 | 86% | 0.864 | 60% | 0.603 | S | S | * | * | trans | -61.9 | 94.5 | 173.1 | -68.8 | -176.5 | 157.6 | 0 | 0 | 107.5 | S31 E35 | S31-E33 PolarHBondContact O-N 3.37Å; E33-E35 PolarHBondContact O-N 3.03Å | ||
| 34 | E | 59.3 | Low | 59.4 | Low | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | trans | -51.6 | 110.1 | 170.4 | -77.7 | 177.5 | 163.6 | 0 | 0 | 107.3 | P32 K60 R64 | P32-E34 VanDerWaalsContact C-N 3.26Å; P32-E34 PolarHBondContact O-N 3.46Å; E34-K60 WeakPolarHBondContact O-CE 3.47Å; E34-K60 PolarHBondContact O-NZ 3.15Å; E34-R64 IonicContact OE2-NH2 3.55Å; E34-R64 PolarHBondContact OE2-NH2 3.15Å; E34-R64 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 35 | E | 77.2 | Confident | 62.1 | Low | 179 Ų | 179 | 101.6 Ų | 101.6 | 84% | 0.836 | 54% | 0.536 | S | S | * | . | trans | -61.3 | 143.2 | -179.7 | -157.1 | 168.1 | -175.6 | 0 | 0 | 109.2 | E33 D37 | E33-E35 PolarHBondContact O-N 3.03Å; E35-D37 PolarHBondContact O-N 3.5Å | ||
| 36 | V | 81.1 | Confident | 64.6 | Low | 15 Ų | 15 | 94.6 Ų | 94.6 | 9% | 0.091 | 52% | 0.517 | C | S | . | . | trans | -75.8 | 120.7 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 108 | W38 V41 I56 I59 K60 L63 | V36-W38 VanDerWaalsContact O-CD1 3.28Å; V36-W38 PolarHBondContact O-N 2.91Å; V36-V41 HydrophobicContact CG1-CG2 3.8Å; V36-I56 HydrophobicContact CG2-CG2 3.65Å; V36-I59 HydrophobicContact CG1-CG2 3.97Å; V36-K60 HydrophobicContact CG2-CD 4.32Å; V36-K60 VanDerWaalsContact CG2-CE 3.49Å; V36-K60 HydrophobicContact CG2-CG 3.9Å; V36-L63 HydrophobicContact CG1-CD1 4.13Å | ||
| 37 | D | 86.1 | Confident | 67 | Low | 81 Ų | 81 | 92.7 Ų | 92.7 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | trans | -68.5 | 103.7 | 170.6 | -172.8 | -19.7 | 0 | 0 | 0 | 109.9 | E35 A39 L40 V41 | E35-D37 PolarHBondContact O-N 3.5Å; D37-A39 VanDerWaalsContact C-N 3.28Å; D37-A39 PolarHBondContact O-N 3.44Å; D37-A39 WeakPolarHBondContact OD1-CB 3.47Å; D37-A39 PolarHBondContact OD1-N 2.91Å; D37-L40 HydrophobicContact CB-CB 4.47Å; D37-L40 HydrophobicContact CB-CD1 3.9Å; D37-L40 HydrophobicContact CB-CG 3.98Å; D37-L40 PolarHBondContact O-N 3.29Å; D37-L40 PolarHBondContact OD1-N 3.1Å; D37-L40 WeakPolarHBondContact OD2-CG 3.28Å; D37-V41 PolarHBondContact O-N 3.26Å | ||
| 38 | W | 86.4 | Confident | 69.5 | Low | 132 Ų | 132 | 85 Ų | 85 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.9 | -21.4 | -178.3 | -68.3 | 106.1 | 0 | 0 | 0 | 113.4 | V36 V41 E42 I59 | V36-W38 VanDerWaalsContact O-CD1 3.28Å; V36-W38 PolarHBondContact O-N 2.91Å; W38-V41 HydrophobicContact CE3-CB 4.15Å; W38-V41 HydrophobicContact CE3-CG1 4.18Å; W38-V41 HydrophobicContact CE3-CG2 4.12Å; W38-V41 HydrophobicContact CZ3-CG1 4.36Å; W38-V41 WeakPolarHBondContact O-CB 3.25Å; W38-V41 PolarHBondContact O-N 2.89Å; W38-E42 PolarHBondContact O-N 3.15Å; W38-I59 HydrophobicContact CZ3-CD1 4.5Å |
| 39 | A | 86.8 | Confident | 71.8 | Confident | 55 Ų | 55 | 80.2 Ų | 80.2 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D37 V41 E42 E43 | D37-A39 VanDerWaalsContact C-N 3.28Å; D37-A39 PolarHBondContact O-N 3.44Å; D37-A39 WeakPolarHBondContact OD1-CB 3.47Å; D37-A39 PolarHBondContact OD1-N 2.91Å; A39-V41 VanDerWaalsContact C-N 3.25Å; A39-V41 PolarHBondContact O-N 2.98Å; A39-E42 WeakPolarHBondContact O-CB 3.44Å; A39-E42 PolarHBondContact O-N 2.94Å; A39-E42 VanDerWaalsContact O-N 3.15Å; A39-E43 PolarHBondContact O-N 2.88Å; A39-E43 VanDerWaalsContact O-N 3.15Å |
| 40 | L | 87.5 | Confident | 74.1 | Confident | 43 Ų | 43 | 80.9 Ų | 80.9 | 23% | 0.225 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66 | -29.7 | 174.2 | -55.8 | -178.9 | 0 | 0 | 0 | 112.5 | D37 L44 L63 L67 | D37-L40 HydrophobicContact CB-CB 4.47Å; D37-L40 HydrophobicContact CB-CD1 3.9Å; D37-L40 HydrophobicContact CB-CG 3.98Å; D37-L40 PolarHBondContact O-N 3.29Å; D37-L40 PolarHBondContact OD1-N 3.1Å; D37-L40 WeakPolarHBondContact OD2-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.31Å; L40-L63 HydrophobicContact CB-CD2 3.58Å; L40-L67 HydrophobicContact CB-CD2 4.22Å; L40-L67 HydrophobicContact CD1-CD2 4Å; L40-L67 HydrophobicContact CD2-CD2 4.07Å; L40-L67 HydrophobicContact CG-CD2 4.33Å |
| 41 | V | 86.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.7 | -36.8 | 174.6 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | V36 D37 W38 A39 L44 Q45 I51 R52 I59 L63 | V36-V41 HydrophobicContact CG1-CG2 3.8Å; D37-V41 PolarHBondContact O-N 3.26Å; W38-V41 HydrophobicContact CE3-CB 4.15Å; W38-V41 HydrophobicContact CE3-CG1 4.18Å; W38-V41 HydrophobicContact CE3-CG2 4.12Å; W38-V41 HydrophobicContact CZ3-CG1 4.36Å; W38-V41 WeakPolarHBondContact O-CB 3.25Å; W38-V41 PolarHBondContact O-N 2.89Å; A39-V41 VanDerWaalsContact C-N 3.25Å; A39-V41 PolarHBondContact O-N 2.98Å; V41-L44 PolarHBondContact O-N 3.36Å; V41-Q45 PolarHBondContact O-N 3.49Å; V41-I51 HydrophobicContact CG1-CD1 4.42Å; V41-I51 HydrophobicContact CG1-CG1 4.44Å; V41-I51 HydrophobicContact CG1-CG2 3.72Å; V41-R52 HydrophobicContact CG1-CG 4.39Å; V41-I59 HydrophobicContact CG2-CG2 3.54Å; V41-L63 HydrophobicContact CG2-CD1 4.05Å; V41-L63 HydrophobicContact CG2-CD2 4.42Å |
| 42 | E | 86 | Confident | 78.8 | Confident | 118 Ų | 118 | 78.5 Ų | 78.5 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 176.5 | -171.6 | 160.9 | -139.8 | 0 | 0 | 111.8 | W38 A39 L44 Q45 | W38-E42 PolarHBondContact O-N 3.15Å; A39-E42 WeakPolarHBondContact O-CB 3.44Å; A39-E42 PolarHBondContact O-N 2.94Å; A39-E42 VanDerWaalsContact O-N 3.15Å; E42-L44 PolarHBondContact O-N 3.15Å; E42-Q45 WeakPolarHBondContact O-CB 3.38Å; E42-Q45 PolarHBondContact O-N 3.49Å |
| 43 | E | 85.7 | Confident | 80.9 | Confident | 78 Ų | 78 | 82.2 Ų | 82.2 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.3 | -37.4 | 172.2 | -70.6 | -178.6 | -132.6 | 0 | 0 | 112.7 | A39 Q45 R71 | A39-E43 PolarHBondContact O-N 2.88Å; A39-E43 VanDerWaalsContact O-N 3.15Å; E43-Q45 VanDerWaalsContact C-N 3.28Å; E43-Q45 PolarHBondContact O-N 2.99Å; E43-R71 VanDerWaalsContact CD-NH2 3.29Å; E43-R71 IonicContact OE1-CZ 2.78Å; E43-R71 IonicContact OE1-NH2 3.85Å; E43-R71 PolarHBondContact OE1-NH2 2.96Å; E43-R71 IonicContact OE2-CZ 2.71Å; E43-R71 VanDerWaalsContact OE2-CZ 3.32Å; E43-R71 IonicContact OE2-NE 2.96Å; E43-R71 PolarHBondContact OE2-NE 2.86Å; E43-R71 IonicContact OE2-NH2 3.32Å; E43-R71 PolarHBondContact OE2-NH2 3.49Å |
| 44 | L | 85.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -14.9 | 178.4 | -73.8 | -177.5 | 0 | 0 | 0 | 113.7 | L40 V41 E42 D46 Y47 M48 I51 I62 L63 L67 F70 | L40-L44 PolarHBondContact O-N 3.31Å; V41-L44 PolarHBondContact O-N 3.36Å; E42-L44 PolarHBondContact O-N 3.15Å; L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 PolarHBondContact O-N 2.92Å; L44-Y47 PolarHBondContact O-N 3.2Å; L44-M48 WeakPolarHBondContact O-CA 3.49Å; L44-M48 WeakPolarHBondContact O-CB 3.37Å; L44-M48 PolarHBondContact O-N 2.72Å; L44-I51 HydrophobicContact CB-CD1 3.78Å; L44-I51 HydrophobicContact CD1-CD1 3.54Å; L44-I51 HydrophobicContact CG-CD1 4.33Å; L44-I62 HydrophobicContact CD1-CG2 3.85Å; L44-L63 HydrophobicContact CD1-CD2 3.56Å; L44-L63 HydrophobicContact CD1-CG 4.19Å; L44-L63 HydrophobicContact CG-CD2 4.37Å; L44-L67 HydrophobicContact CD2-CD1 4.04Å; L44-L67 HydrophobicContact CG-CD1 4Å; L44-F70 HydrophobicContact CD2-CB 4.5Å; L44-F70 HydrophobicContact CD2-CD2 3.44Å; L44-F70 VanDerWaalsContact CD2-CD2 3.44Å; L44-F70 HydrophobicContact CD2-CE2 4.11Å; L44-F70 HydrophobicContact CD2-CG 4.43Å |
| 45 | Q | 85.4 | Confident | 83.9 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.7 | -178.8 | -71.7 | -176.3 | -95.1 | 0 | 0 | 112.6 | V41 E42 E43 Y47 M48 P49 I51 R52 | V41-Q45 PolarHBondContact O-N 3.49Å; E42-Q45 WeakPolarHBondContact O-CB 3.38Å; E42-Q45 PolarHBondContact O-N 3.49Å; E43-Q45 VanDerWaalsContact C-N 3.28Å; E43-Q45 PolarHBondContact O-N 2.99Å; Q45-Y47 PolarHBondContact O-N 2.95Å; Q45-M48 CarbonylContact O-C 3.48Å; Q45-M48 VanDerWaalsContact O-C 3.31Å; Q45-M48 PolarHBondContact O-N 3.36Å; Q45-P49 WeakPolarHBondContact O-CA 3.38Å; Q45-I51 HydrophobicContact CG-CG2 3.71Å; Q45-R52 VanDerWaalsContact OE1-CZ 3.32Å |
| 46 | D | 80.3 | Confident | 84.4 | Confident | 100 Ų | 100 | 70.4 Ų | 70.4 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -41.6 | 173.8 | -69.1 | -8 | 0 | 0 | 0 | 111.2 | L44 K74 | L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 PolarHBondContact O-N 2.92Å; D46-K74 IonicContact OD2-NZ 2.84Å; D46-K74 PolarHBondContact OD2-NZ 3.44Å |
| 47 | Y | 79.7 | Confident | 84.6 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 8% | 0.082 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -21.5 | 179.4 | -74 | -99.4 | 0 | 0 | 0 | 113.2 | L44 Q45 F70 F73 K74 V78 A80 | L44-Y47 PolarHBondContact O-N 3.2Å; Q45-Y47 PolarHBondContact O-N 2.95Å; Y47-F70 AromaticContact CD1-CD1 3.4Å; Y47-F70 HydrophobicContact CD1-CD1 3.4Å; Y47-F70 VanDerWaalsContact CD1-CD1 3.4Å; Y47-F70 AromaticContact CD1-CE1 3.73Å; Y47-F70 HydrophobicContact CD1-CE1 3.73Å; Y47-F70 HydrophobicContact CD1-CG 4.06Å; Y47-F70 HydrophobicContact CD2-CB 4.03Å; Y47-F70 HydrophobicContact CD2-CD1 4.35Å; Y47-F70 HydrophobicContact CD2-CG 4.21Å; Y47-F70 AromaticContact CE1-CD1 3.9Å; Y47-F70 HydrophobicContact CE1-CD1 3.9Å; Y47-F70 HydrophobicContact CE1-CE1 4.49Å; Y47-F70 HydrophobicContact CE2-CB 4.25Å; Y47-F70 HydrophobicContact CG-CB 4.2Å; Y47-F70 AromaticContact CG-CD1 3.7Å; Y47-F70 HydrophobicContact CG-CD1 3.7Å; Y47-F70 HydrophobicContact CG-CD2 4.39Å; Y47-F70 HydrophobicContact CG-CE1 4.15Å; Y47-F70 AromaticContact CG-CG 3.86Å; Y47-F70 HydrophobicContact CG-CG 3.86Å; Y47-F73 HydrophobicContact CE1-CB 4.32Å; Y47-K74 HydrophobicContact CE2-CB 4.44Å; Y47-K74 PolarHBondContact OH-N 3.11Å; Y47-V78 PolarHBondContact OH-O 3.46Å; Y47-A80 HydrophobicContact CD1-CB 3.24Å; Y47-A80 HydrophobicContact CE1-CB 3.72Å; Y47-A80 HydrophobicContact CG-CB 3.74Å |
| 48 | M | 81.6 | Confident | 84.6 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | trans | -138.6 | 79.9 | -175.3 | -62.4 | -170.5 | 66.6 | 0 | 0 | 111.9 | L44 Q45 H50 I51 I62 F70 P145 | L44-M48 WeakPolarHBondContact O-CA 3.49Å; L44-M48 WeakPolarHBondContact O-CB 3.37Å; L44-M48 PolarHBondContact O-N 2.72Å; Q45-M48 CarbonylContact O-C 3.48Å; Q45-M48 VanDerWaalsContact O-C 3.31Å; Q45-M48 PolarHBondContact O-N 3.36Å; M48-H50 PolarHBondContact O-N 3.42Å; M48-I51 HydrophobicContact CB-CB 4.16Å; M48-I51 PolarHBondContact O-N 3.2Å; M48-I51 VanDerWaalsContact O-N 3.07Å; M48-I62 HydrophobicContact CE-CD1 4.04Å; M48-I62 HydrophobicContact SD-CG2 3.8Å; M48-F70 HydrophobicContact CG-CE2 4.49Å; M48-F70 HydrophobicContact SD-CE2 4.35Å; M48-P145 HydrophobicContact CE-CB 4.39Å; M48-P145 HydrophobicContact CE-CG 3.98Å; M48-P145 HydrophobicContact CG-CG 3.97Å; M48-P145 HydrophobicContact SD-CB 4.11Å; M48-P145 HydrophobicContact SD-CG 3.62Å | ||
| 49 | P | 81.1 | Confident | 84.6 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22 | -172.6 | -27.5 | 34.2 | 0 | 0 | 0 | 115.4 | Q45 | Q45-P49 WeakPolarHBondContact O-CA 3.38Š|
| 50 | H | 81.3 | Confident | 84.7 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 21.4 | -175.7 | -57.8 | -34.1 | 0 | 0 | 0 | 113.8 | M48 R52 R53 | M48-H50 PolarHBondContact O-N 3.42Å; H50-R52 VanDerWaalsContact C-N 3.27Å; H50-R52 PolarHBondContact O-N 3.22Å; H50-R53 PolarHBondContact O-N 3.48Å; H50-R53 VanDerWaalsContact O-N 3.16Å |
| 51 | I | 83.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -58.3 | -37.2 | -179.2 | -169.1 | 166.8 | 0 | 0 | 0 | 112.9 | V41 L44 Q45 M48 R53 K54 I59 I62 | V41-I51 HydrophobicContact CG1-CD1 4.42Å; V41-I51 HydrophobicContact CG1-CG1 4.44Å; V41-I51 HydrophobicContact CG1-CG2 3.72Å; L44-I51 HydrophobicContact CB-CD1 3.78Å; L44-I51 HydrophobicContact CD1-CD1 3.54Å; L44-I51 HydrophobicContact CG-CD1 4.33Å; Q45-I51 HydrophobicContact CG-CG2 3.71Å; M48-I51 HydrophobicContact CB-CB 4.16Å; M48-I51 PolarHBondContact O-N 3.2Å; M48-I51 VanDerWaalsContact O-N 3.07Å; I51-R53 PolarHBondContact O-N 3.3Å; I51-R53 VanDerWaalsContact O-N 3.11Å; I51-K54 VanDerWaalsContact O-CB 3.32Å; I51-K54 WeakPolarHBondContact O-CB 3.32Å; I51-K54 PolarHBondContact O-N 2.89Å; I51-I59 HydrophobicContact CG1-CG1 4.28Å; I51-I62 HydrophobicContact CD1-CG2 4.14Å |
| 52 | R | 84.1 | Confident | 84.8 | Confident | 139 Ų | 139 | 75.1 Ų | 75.1 | 53% | 0.525 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -62.8 | -18.2 | 179.4 | -61.3 | -171.2 | -174.6 | -159.2 | 2.3 | 114.1 | V41 Q45 H50 K54 | V41-R52 HydrophobicContact CG1-CG 4.39Å; Q45-R52 VanDerWaalsContact OE1-CZ 3.32Å; H50-R52 VanDerWaalsContact C-N 3.27Å; H50-R52 PolarHBondContact O-N 3.22Å; R52-K54 VanDerWaalsContact C-N 3.27Å; R52-K54 PolarHBondContact O-N 3.08Å |
| 53 | R | 86 | Confident | 84.9 | Confident | 200 Ų | 200 | 70.7 Ų | 70.7 | 76% | 0.755 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -80 | -6.7 | 176 | -60.5 | -176.7 | -178 | 161.3 | 0.6 | 113.1 | H50 I51 | H50-R53 PolarHBondContact O-N 3.48Å; H50-R53 VanDerWaalsContact O-N 3.16Å; I51-R53 PolarHBondContact O-N 3.3Å; I51-R53 VanDerWaalsContact O-N 3.11Å |
| 54 | K | 84.5 | Confident | 85.1 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -86.9 | 157.5 | -179.4 | -64.3 | -176.1 | 176.7 | -64 | 0 | 111 | I51 R52 Q58 I59 I62 | I51-K54 VanDerWaalsContact O-CB 3.32Å; I51-K54 WeakPolarHBondContact O-CB 3.32Å; I51-K54 PolarHBondContact O-N 2.89Å; R52-K54 VanDerWaalsContact C-N 3.27Å; R52-K54 PolarHBondContact O-N 3.08Å; K54-Q58 HydrophobicContact CB-CB 4.19Å; K54-I59 HydrophobicContact CB-CG1 4.04Å; K54-I59 WeakPolarHBondContact O-CD1 3.39Å; K54-I62 HydrophobicContact CD-CD1 3.49Å; K54-I62 VanDerWaalsContact CD-CD1 3.49Å |
| 55 | C | 86.5 | Confident | 85.1 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 47% | 0.466 | 35% | 0.353 | S | S | . | . | trans | -70.2 | 151.9 | 173.8 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | N57 Q58 I59 | C55-N57 VanDerWaalsContact C-N 3.26Å; C55-N57 PolarHBondContact O-N 3.03Å; C55-N57 VanDerWaalsContact O-N 3.16Å; C55-Q58 WeakPolarHBondContact O-CA 3.46Å; C55-Q58 WeakPolarHBondContact O-CB 3.38Å; C55-Q58 PolarHBondContact O-N 3.46Å; C55-Q58 VanDerWaalsContact SG-CD 3.5Å; C55-Q58 WeakPolarHBondContact SG-CG 3.35Å; C55-I59 PolarHBondContact O-N 3.33Å | ||
| 56 | I | 86.3 | Confident | 85.3 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -49.4 | -45.6 | -177.5 | -72.1 | 167 | 0 | 0 | 0 | 112.1 | V36 Q58 I59 K60 | V36-I56 HydrophobicContact CG2-CG2 3.65Å; I56-Q58 VanDerWaalsContact C-N 3.27Å; I56-Q58 PolarHBondContact O-N 3.32Å; I56-I59 PolarHBondContact O-N 3.38Å; I56-I59 VanDerWaalsContact O-N 3.15Å; I56-K60 HydrophobicContact CG2-CD 4.29Å; I56-K60 WeakPolarHBondContact O-CG 3.5Å; I56-K60 PolarHBondContact O-N 3.3Å |
| 57 | N | 86.7 | Confident | 85.8 | Confident | 114 Ų | 114 | 69.6 Ų | 69.6 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.5 | -30.7 | 179.1 | -71.4 | -24.7 | 0 | 0 | 0 | 113.6 | C55 K61 | C55-N57 VanDerWaalsContact C-N 3.26Å; C55-N57 PolarHBondContact O-N 3.03Å; C55-N57 VanDerWaalsContact O-N 3.16Å; N57-K61 WeakPolarHBondContact O-CG 3.42Å; N57-K61 PolarHBondContact O-N 2.98Å |
| 58 | Q | 85.1 | Confident | 86.3 | Confident | 95 Ų | 95 | 73.2 Ų | 73.2 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74.9 | -41.7 | 173.6 | -75.7 | 173.4 | 9.9 | 0 | 0 | 111.1 | K54 C55 I56 K60 K61 I62 | K54-Q58 HydrophobicContact CB-CB 4.19Å; C55-Q58 WeakPolarHBondContact O-CA 3.46Å; C55-Q58 WeakPolarHBondContact O-CB 3.38Å; C55-Q58 PolarHBondContact O-N 3.46Å; C55-Q58 VanDerWaalsContact SG-CD 3.5Å; C55-Q58 WeakPolarHBondContact SG-CG 3.35Å; I56-Q58 VanDerWaalsContact C-N 3.27Å; I56-Q58 PolarHBondContact O-N 3.32Å; Q58-K60 VanDerWaalsContact C-N 3.35Å; Q58-K60 PolarHBondContact O-N 2.88Å; Q58-K61 PolarHBondContact O-N 3.21Å; Q58-I62 VanDerWaalsContact O-CG1 3.32Å; Q58-I62 WeakPolarHBondContact O-CG1 3.46Å; Q58-I62 PolarHBondContact O-N 3.47Å |
| 59 | I | 87.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 176.7 | -66.4 | 166 | 0 | 0 | 0 | 110 | V36 W38 V41 I51 K54 C55 I56 K61 I62 L63 | V36-I59 HydrophobicContact CG1-CG2 3.97Å; W38-I59 HydrophobicContact CZ3-CD1 4.5Å; V41-I59 HydrophobicContact CG2-CG2 3.54Å; I51-I59 HydrophobicContact CG1-CG1 4.28Å; K54-I59 HydrophobicContact CB-CG1 4.04Å; K54-I59 WeakPolarHBondContact O-CD1 3.39Å; C55-I59 PolarHBondContact O-N 3.33Å; I56-I59 PolarHBondContact O-N 3.38Å; I56-I59 VanDerWaalsContact O-N 3.15Å; I59-K61 VanDerWaalsContact C-N 3.28Å; I59-K61 PolarHBondContact O-N 3.11Å; I59-I62 PolarHBondContact O-N 3.48Å; I59-I62 VanDerWaalsContact O-N 3.13Å; I59-L63 HydrophobicContact CG2-CD1 3.93Å; I59-L63 HydrophobicContact CG2-CG 4.33Å; I59-L63 WeakPolarHBondContact O-CG 3.46Å; I59-L63 PolarHBondContact O-N 3Å |
| 60 | K | 88.4 | Confident | 87.2 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.8 | -40.1 | 175.9 | -71.4 | -178.2 | 176.4 | -174.1 | 0 | 113.1 | E34 V36 I56 Q58 R64 | E34-K60 WeakPolarHBondContact O-CE 3.47Å; E34-K60 PolarHBondContact O-NZ 3.15Å; V36-K60 HydrophobicContact CG2-CD 4.32Å; V36-K60 VanDerWaalsContact CG2-CE 3.49Å; V36-K60 HydrophobicContact CG2-CG 3.9Å; I56-K60 HydrophobicContact CG2-CD 4.29Å; I56-K60 WeakPolarHBondContact O-CG 3.5Å; I56-K60 PolarHBondContact O-N 3.3Å; Q58-K60 VanDerWaalsContact C-N 3.35Å; Q58-K60 PolarHBondContact O-N 2.88Å; K60-R64 WeakPolarHBondContact O-CG 3.37Å; K60-R64 PolarHBondContact O-N 3.2Å; K60-R64 VanDerWaalsContact O-N 3.16Å |
| 61 | K | 86.6 | Confident | 87.7 | Confident | 149 Ų | 149 | 69.6 Ų | 69.6 | 65% | 0.648 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.7 | -44.8 | 177.4 | -74.3 | 177.5 | -175.9 | -179.3 | 0 | 111.7 | N57 Q58 I59 L63 R64 S65 | N57-K61 WeakPolarHBondContact O-CG 3.42Å; N57-K61 PolarHBondContact O-N 2.98Å; Q58-K61 PolarHBondContact O-N 3.21Å; I59-K61 VanDerWaalsContact C-N 3.28Å; I59-K61 PolarHBondContact O-N 3.11Å; K61-L63 VanDerWaalsContact C-N 3.35Å; K61-R64 PolarHBondContact O-N 3.43Å; K61-S65 PolarHBondContact O-N 3.31Å; K61-S65 PolarHBondContact O-OG 3.19Å |
| 62 | I | 88.3 | Confident | 88.1 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 178.5 | -64.7 | 164 | 0 | 0 | 0 | 110 | L44 M48 I51 K54 Q58 I59 R64 S65 D66 | L44-I62 HydrophobicContact CD1-CG2 3.85Å; M48-I62 HydrophobicContact CE-CD1 4.04Å; M48-I62 HydrophobicContact SD-CG2 3.8Å; I51-I62 HydrophobicContact CD1-CG2 4.14Å; K54-I62 HydrophobicContact CD-CD1 3.49Å; K54-I62 VanDerWaalsContact CD-CD1 3.49Å; Q58-I62 VanDerWaalsContact O-CG1 3.32Å; Q58-I62 WeakPolarHBondContact O-CG1 3.46Å; Q58-I62 PolarHBondContact O-N 3.47Å; I59-I62 PolarHBondContact O-N 3.48Å; I59-I62 VanDerWaalsContact O-N 3.13Å; I62-R64 VanDerWaalsContact C-N 3.28Å; I62-R64 PolarHBondContact O-N 3.22Å; I62-S65 PolarHBondContact O-N 2.77Å; I62-D66 HydrophobicContact CG2-CB 4.08Å; I62-D66 WeakPolarHBondContact O-CA 3.47Å; I62-D66 WeakPolarHBondContact O-CB 3.38Å; I62-D66 PolarHBondContact O-N 2.99Å |
| 63 | L | 89.1 | Confident | 88.4 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.4 | -43.6 | 175.7 | -74 | 169.7 | 0 | 0 | 0 | 111.7 | V36 L40 V41 L44 I59 K61 L67 | V36-L63 HydrophobicContact CG1-CD1 4.13Å; L40-L63 HydrophobicContact CB-CD2 3.58Å; V41-L63 HydrophobicContact CG2-CD1 4.05Å; V41-L63 HydrophobicContact CG2-CD2 4.42Å; L44-L63 HydrophobicContact CD1-CD2 3.56Å; L44-L63 HydrophobicContact CD1-CG 4.19Å; L44-L63 HydrophobicContact CG-CD2 4.37Å; I59-L63 HydrophobicContact CG2-CD1 3.93Å; I59-L63 HydrophobicContact CG2-CG 4.33Å; I59-L63 WeakPolarHBondContact O-CG 3.46Å; I59-L63 PolarHBondContact O-N 3Å; K61-L63 VanDerWaalsContact C-N 3.35Å; L63-L67 HydrophobicContact CD2-CD2 4.4Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å |
| 64 | R | 88.5 | Confident | 88.5 | Confident | 165 Ų | 165 | 65.2 Ų | 65.2 | 62% | 0.623 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.6 | -44.9 | 178.3 | -69.7 | 174.2 | -174.5 | 171.9 | 0.7 | 112.5 | E34 K60 K61 I62 | E34-R64 IonicContact OE2-NH2 3.55Å; E34-R64 PolarHBondContact OE2-NH2 3.15Å; E34-R64 VanDerWaalsContact OE2-NH2 3.08Å; K60-R64 WeakPolarHBondContact O-CG 3.37Å; K60-R64 PolarHBondContact O-N 3.2Å; K60-R64 VanDerWaalsContact O-N 3.16Å; K61-R64 PolarHBondContact O-N 3.43Å; I62-R64 VanDerWaalsContact C-N 3.28Å; I62-R64 PolarHBondContact O-N 3.22Å |
| 65 | S | 85.9 | Confident | 88.7 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -86.6 | -30.4 | -172.9 | 56 | 0 | 0 | 0 | 0 | 115.5 | K61 I62 H68 | K61-S65 PolarHBondContact O-N 3.31Å; K61-S65 PolarHBondContact O-OG 3.19Å; I62-S65 PolarHBondContact O-N 2.77Å; S65-H68 PolarHBondContact O-CE1 3.11Å |
| 66 | D | 89.8 | Confident | 88.8 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.011 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -117.4 | -25.2 | -164.1 | -70 | -77.5 | 0 | 0 | 0 | 114.3 | I62 H68 R69 F70 P145 C146 | I62-D66 HydrophobicContact CG2-CB 4.08Å; I62-D66 WeakPolarHBondContact O-CA 3.47Å; I62-D66 WeakPolarHBondContact O-CB 3.38Å; I62-D66 PolarHBondContact O-N 2.99Å; D66-H68 PolarHBondContact O-N 3.15Å; D66-R69 PolarHBondContact O-N 3.07Å; D66-R69 IonicContact OD1-NH1 2.8Å; D66-R69 PolarHBondContact OD1-NH1 2.64Å; D66-F70 HydrophobicContact CB-CD2 3.94Å; D66-F70 HydrophobicContact CB-CE2 3.62Å; D66-F70 HydrophobicContact CB-CZ 4.36Å; D66-F70 VanDerWaalsContact O-CD2 3.32Å; D66-F70 WeakPolarHBondContact O-CD2 3.14Å; D66-F70 PolarHBondContact O-N 3.44Å; D66-P145 VanDerWaalsContact OD1-CA 3.28Å; D66-P145 WeakPolarHBondContact OD1-CA 3.4Å; D66-C146 PolarHBondContact OD1-N 2.77Å; D66-C146 PolarHBondContact OD1-SG 2.75Å |
| 67 | L | 90.1 | Very high | 88.8 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57 | -50.2 | -174 | -179 | 67.5 | 0 | 0 | 0 | 112.8 | L40 L44 L63 R69 F70 R71 | L40-L67 HydrophobicContact CB-CD2 4.22Å; L40-L67 HydrophobicContact CD1-CD2 4Å; L40-L67 HydrophobicContact CD2-CD2 4.07Å; L40-L67 HydrophobicContact CG-CD2 4.33Å; L44-L67 HydrophobicContact CD2-CD1 4.04Å; L44-L67 HydrophobicContact CG-CD1 4Å; L63-L67 HydrophobicContact CD2-CD2 4.4Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L67-R69 VanDerWaalsContact C-N 3.33Å; L67-R69 PolarHBondContact O-N 3.34Å; L67-F70 PolarHBondContact O-N 2.88Å; L67-R71 WeakPolarHBondContact O-CG 3.12Å; L67-R71 PolarHBondContact O-N 3.1Å |
| 68 | H | 90.8 | Very high | 88.8 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | -178.8 | 66.9 | -85.2 | 0 | 0 | 0 | 112.2 | S65 D66 R71 K72 | S65-H68 PolarHBondContact O-CE1 3.11Å; D66-H68 PolarHBondContact O-N 3.15Å; H68-R71 PolarHBondContact O-N 3.37Å; H68-K72 PolarHBondContact O-N 3.46Å; H68-K72 VanDerWaalsContact O-N 3.11Å |
| 69 | R | 91.9 | Very high | 88.7 | Confident | 16 Ų | 16 | 67 Ų | 67 | 6% | 0.06 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.5 | -66 | 173.5 | 58.3 | -108.8 | -11.8 | 110.9 | D66 L67 K72 F73 A139 I142 R144 C146 | D66-R69 PolarHBondContact O-N 3.07Å; D66-R69 IonicContact OD1-NH1 2.8Å; D66-R69 PolarHBondContact OD1-NH1 2.64Å; L67-R69 VanDerWaalsContact C-N 3.33Å; L67-R69 PolarHBondContact O-N 3.34Å; R69-K72 WeakPolarHBondContact O-CB 3.48Å; R69-K72 PolarHBondContact O-N 3.39Å; R69-F73 HydrophobicContact CB-CE2 4.25Å; R69-F73 WeakPolarHBondContact O-CD2 3.46Å; R69-F73 WeakPolarHBondContact O-CG 3.41Å; R69-F73 PolarHBondContact O-N 3.05Å; R69-A139 VanDerWaalsContact CZ-CB 3.48Å; R69-A139 PolarHBondContact NH2-O 3.42Å; R69-I142 PolarHBondContact NH2-O 2.71Å; R69-R144 PolarHBondContact NH1-O 3.27Å; R69-R144 PolarHBondContact NH2-O 3.05Å; R69-C146 PolarHBondContact NH1-SG 3.33Å |
| 70 | F | 90.3 | Very high | 88.3 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.3 | -34.3 | 178.7 | -66.5 | -43.1 | 0 | 0 | 0 | 113.1 | L44 Y47 M48 D66 L67 K72 F73 K74 P145 | L44-F70 HydrophobicContact CD2-CB 4.5Å; L44-F70 HydrophobicContact CD2-CD2 3.44Å; L44-F70 VanDerWaalsContact CD2-CD2 3.44Å; L44-F70 HydrophobicContact CD2-CE2 4.11Å; L44-F70 HydrophobicContact CD2-CG 4.43Å; Y47-F70 AromaticContact CD1-CD1 3.4Å; Y47-F70 HydrophobicContact CD1-CD1 3.4Å; Y47-F70 VanDerWaalsContact CD1-CD1 3.4Å; Y47-F70 AromaticContact CD1-CE1 3.73Å; Y47-F70 HydrophobicContact CD1-CE1 3.73Å; Y47-F70 HydrophobicContact CD1-CG 4.06Å; Y47-F70 HydrophobicContact CD2-CB 4.03Å; Y47-F70 HydrophobicContact CD2-CD1 4.35Å; Y47-F70 HydrophobicContact CD2-CG 4.21Å; Y47-F70 AromaticContact CE1-CD1 3.9Å; Y47-F70 HydrophobicContact CE1-CD1 3.9Å; Y47-F70 HydrophobicContact CE1-CE1 4.49Å; Y47-F70 HydrophobicContact CE2-CB 4.25Å; Y47-F70 HydrophobicContact CG-CB 4.2Å; Y47-F70 AromaticContact CG-CD1 3.7Å; Y47-F70 HydrophobicContact CG-CD1 3.7Å; Y47-F70 HydrophobicContact CG-CD2 4.39Å; Y47-F70 HydrophobicContact CG-CE1 4.15Å; Y47-F70 AromaticContact CG-CG 3.86Å; Y47-F70 HydrophobicContact CG-CG 3.86Å; M48-F70 HydrophobicContact CG-CE2 4.49Å; M48-F70 HydrophobicContact SD-CE2 4.35Å; D66-F70 HydrophobicContact CB-CD2 3.94Å; D66-F70 HydrophobicContact CB-CE2 3.62Å; D66-F70 HydrophobicContact CB-CZ 4.36Å; D66-F70 VanDerWaalsContact O-CD2 3.32Å; D66-F70 WeakPolarHBondContact O-CD2 3.14Å; D66-F70 PolarHBondContact O-N 3.44Å; L67-F70 PolarHBondContact O-N 2.88Å; F70-K72 VanDerWaalsContact C-N 3.33Å; F70-K72 PolarHBondContact O-N 3.18Å; F70-F73 AromaticContact CD1-CD2 3.97Å; F70-F73 HydrophobicContact CD1-CD2 3.97Å; F70-F73 PolarHBondContact O-N 3.23Å; F70-K74 WeakPolarHBondContact O-CB 3.35Å; F70-K74 PolarHBondContact O-N 3.45Å; F70-P145 HydrophobicContact CZ-CB 4.41Å; F70-P145 HydrophobicContact CZ-CG 3.98Å |
| 71 | R | 91.2 | Very high | 88 | Confident | 104 Ų | 104 | 69.5 Ų | 69.5 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 170 | -75.2 | 177.3 | 173.8 | 175 | -4.2 | 111.8 | E43 L67 H68 K74 Q75 | E43-R71 VanDerWaalsContact CD-NH2 3.29Å; E43-R71 IonicContact OE1-CZ 2.78Å; E43-R71 IonicContact OE1-NH2 3.85Å; E43-R71 PolarHBondContact OE1-NH2 2.96Å; E43-R71 IonicContact OE2-CZ 2.71Å; E43-R71 VanDerWaalsContact OE2-CZ 3.32Å; E43-R71 IonicContact OE2-NE 2.96Å; E43-R71 PolarHBondContact OE2-NE 2.86Å; E43-R71 IonicContact OE2-NH2 3.32Å; E43-R71 PolarHBondContact OE2-NH2 3.49Å; L67-R71 WeakPolarHBondContact O-CG 3.12Å; L67-R71 PolarHBondContact O-N 3.1Å; H68-R71 PolarHBondContact O-N 3.37Å; R71-K74 PolarHBondContact O-N 3.42Å; R71-Q75 WeakPolarHBondContact O-CG 3.31Å; R71-Q75 PolarHBondContact O-N 3.04Å |
| 72 | K | 91.4 | Very high | 87.4 | Confident | 110 Ų | 110 | 67.5 Ų | 67.5 | 48% | 0.478 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 175.2 | -174.5 | -178.4 | 176.9 | -174.5 | 0 | 111.6 | H68 R69 F70 K74 Q75 Q76 | H68-K72 PolarHBondContact O-N 3.46Å; H68-K72 VanDerWaalsContact O-N 3.11Å; R69-K72 WeakPolarHBondContact O-CB 3.48Å; R69-K72 PolarHBondContact O-N 3.39Å; F70-K72 VanDerWaalsContact C-N 3.33Å; F70-K72 PolarHBondContact O-N 3.18Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.17Å; K72-Q75 PolarHBondContact O-N 3.31Å; K72-Q76 VanDerWaalsContact O-CG 3.28Å; K72-Q76 WeakPolarHBondContact O-CG 3.12Å; K72-Q76 PolarHBondContact O-N 3.24Å |
| 73 | F | 90.9 | Very high | 86.7 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 176.8 | -67.9 | -48.5 | 0 | 0 | 0 | 112.6 | Y47 R69 F70 Q75 Q76 G77 V78 P143 | Y47-F73 HydrophobicContact CE1-CB 4.32Å; R69-F73 HydrophobicContact CB-CE2 4.25Å; R69-F73 WeakPolarHBondContact O-CD2 3.46Å; R69-F73 WeakPolarHBondContact O-CG 3.41Å; R69-F73 PolarHBondContact O-N 3.05Å; F70-F73 AromaticContact CD1-CD2 3.97Å; F70-F73 HydrophobicContact CD1-CD2 3.97Å; F70-F73 PolarHBondContact O-N 3.23Å; F73-Q75 PolarHBondContact O-N 3.27Å; F73-Q76 CarbonylContact O-C 3.49Å; F73-Q76 PolarHBondContact O-N 3.31Å; F73-Q76 VanDerWaalsContact O-N 3.15Å; F73-G77 PolarHBondContact O-N 3.45Å; F73-G77 VanDerWaalsContact O-N 3.08Å; F73-V78 HydrophobicContact CB-CB 4.12Å; F73-V78 HydrophobicContact CD1-CB 4.17Å; F73-V78 HydrophobicContact CD1-CG1 4.26Å; F73-V78 HydrophobicContact CD1-CG2 4.44Å; F73-V78 PolarHBondContact O-N 3.09Å; F73-P143 HydrophobicContact CD2-CB 4.38Å; F73-P143 HydrophobicContact CE2-CB 4.43Å |
| 74 | K | 88.1 | Confident | 86 | Confident | 123 Ų | 123 | 78.9 Ų | 78.9 | 54% | 0.535 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.2 | -169.3 | 167.5 | -176 | 164.9 | 0 | 111.8 | D46 Y47 F70 R71 K72 Q76 G77 | D46-K74 IonicContact OD2-NZ 2.84Å; D46-K74 PolarHBondContact OD2-NZ 3.44Å; Y47-K74 HydrophobicContact CE2-CB 4.44Å; Y47-K74 PolarHBondContact OH-N 3.11Å; F70-K74 WeakPolarHBondContact O-CB 3.35Å; F70-K74 PolarHBondContact O-N 3.45Å; R71-K74 PolarHBondContact O-N 3.42Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.17Å; K74-Q76 VanDerWaalsContact C-N 3.3Å; K74-Q76 PolarHBondContact O-N 3.47Å; K74-G77 PolarHBondContact O-N 3.47Å |
| 75 | Q | 89.9 | Confident | 85.6 | Confident | 169 Ų | 169 | 72.9 Ų | 72.9 | 79% | 0.79 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.9 | -33.4 | 174.3 | -71 | 172.4 | 2.1 | 0 | 0 | 112.9 | R71 K72 F73 G77 | R71-Q75 WeakPolarHBondContact O-CG 3.31Å; R71-Q75 PolarHBondContact O-N 3.04Å; K72-Q75 PolarHBondContact O-N 3.31Å; F73-Q75 PolarHBondContact O-N 3.27Å; Q75-G77 VanDerWaalsContact C-N 3.27Å; Q75-G77 PolarHBondContact O-N 2.91Å |
| 76 | Q | 88.4 | Confident | 85.5 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.1 | 177.4 | -67.9 | 175.1 | -21.5 | 0 | 0 | 113.4 | K72 F73 K74 V78 | K72-Q76 VanDerWaalsContact O-CG 3.28Å; K72-Q76 WeakPolarHBondContact O-CG 3.12Å; K72-Q76 PolarHBondContact O-N 3.24Å; F73-Q76 CarbonylContact O-C 3.49Å; F73-Q76 PolarHBondContact O-N 3.31Å; F73-Q76 VanDerWaalsContact O-N 3.15Å; K74-Q76 VanDerWaalsContact C-N 3.3Å; K74-Q76 PolarHBondContact O-N 3.47Å; Q76-V78 HydrophobicContact CB-CG2 4Å; Q76-V78 PolarHBondContact O-N 3.03Å |
| 77 | G | 86.6 | Confident | 84.9 | Confident | 62 Ų | 62 | 77 Ų | 77 | 64% | 0.639 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 17.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F73 K74 Q75 P79 | F73-G77 PolarHBondContact O-N 3.45Å; F73-G77 VanDerWaalsContact O-N 3.08Å; K74-G77 PolarHBondContact O-N 3.47Å; Q75-G77 VanDerWaalsContact C-N 3.27Å; Q75-G77 PolarHBondContact O-N 2.91Å; G77-P79 WeakPolarHBondContact O-CD 3.08Å |
| 78 | V | 85.5 | Confident | 84.7 | Confident | 47 Ų | 47 | 82.5 Ų | 82.5 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | trans | -84 | 115.4 | -179.1 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | Y47 F73 Q76 P143 | Y47-V78 PolarHBondContact OH-O 3.46Å; F73-V78 HydrophobicContact CB-CB 4.12Å; F73-V78 HydrophobicContact CD1-CB 4.17Å; F73-V78 HydrophobicContact CD1-CG1 4.26Å; F73-V78 HydrophobicContact CD1-CG2 4.44Å; F73-V78 PolarHBondContact O-N 3.09Å; Q76-V78 HydrophobicContact CB-CG2 4Å; Q76-V78 PolarHBondContact O-N 3.03Å; V78-P143 HydrophobicContact CG1-CB 3.82Å; V78-P143 HydrophobicContact CG1-CG 4.13Å | ||
| 79 | P | 82.4 | Confident | 84.5 | Confident | 97 Ų | 97 | 78.2 Ų | 78.2 | 63% | 0.63 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 158.6 | -178.3 | 29.6 | -35 | 0 | 0 | 0 | 112.3 | G77 R81 | G77-P79 WeakPolarHBondContact O-CD 3.08Å; P79-R81 PolarHBondContact O-N 3.15Å |
| 80 | A | 80.5 | Confident | 84.2 | Confident | 34 Ų | 34 | 78.2 Ų | 78.2 | 28% | 0.281 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 129.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | Y47 | Y47-A80 HydrophobicContact CD1-CB 3.24Å; Y47-A80 HydrophobicContact CE1-CB 3.72Å; Y47-A80 HydrophobicContact CG-CB 3.74Å |
| 81 | R | 80.8 | Confident | 84.2 | Confident | 66 Ų | 66 | 81.7 Ų | 81.7 | 25% | 0.249 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 124.9 | 174.8 | -75.2 | -169.8 | 162.5 | 144.3 | -4.7 | 112 | P79 E89 P143 R144 D316 | P79-R81 PolarHBondContact O-N 3.15Å; R81-E89 WeakPolarHBondContact CD-OE1 3.12Å; R81-P143 HydrophobicContact CB-CG 4.26Å; R81-P143 HydrophobicContact CG-CG 4Å; R81-P143 PolarHBondContact N-O 2.97Å; R81-R144 HydrophobicContact CB-CG 4.34Å; R81-R144 PolarHBondContact O-NH1 3.07Å; R81-D316 IonicContact CZ-OD2 3.11Å; R81-D316 IonicContact NE-OD1 2.66Å; R81-D316 IonicContact NH2-OD2 3.15Å; R81-D316 PolarHBondContact NH2-OD2 2.93Å; R81-D316 VanDerWaalsContact NH2-OD2 3.15Å |
| 82 | L | 74.4 | Confident | 84.3 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | trans | -115.2 | 165 | 175 | -61.3 | 176 | 0 | 0 | 0 | 110.1 | ||||
| 83 | G | 74.6 | Confident | 84.5 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 83.3 | -141.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R144 | G83-R144 PolarHBondContact O-NH1 3.24Å; G83-R144 VanDerWaalsContact O-NH1 3.13Å |
| 84 | R | 74.4 | Confident | 84.6 | Confident | 214 Ų | 214 | 79.1 Ų | 79.1 | 81% | 0.808 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -74.4 | 145.9 | -173.5 | -66.9 | -176.3 | -179.5 | -177.8 | 2.6 | 110.7 | R144 | R84-R144 PolarHBondContact O-NH2 3.36Š|
| 85 | F | 80.1 | Confident | 85.1 | Confident | 39 Ų | 39 | 77 Ų | 77 | 17% | 0.171 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -74 | 129 | 174.4 | -80 | -104.8 | 0 | 0 | 0 | 110.4 | E89 N90 I93 Q148 V149 R152 | F85-E89 VanDerWaalsContact CA-OE2 3.26Å; F85-E89 WeakPolarHBondContact CA-OE2 3.5Å; F85-E89 HydrophobicContact CD1-CB 4.03Å; F85-N90 WeakPolarHBondContact CB-OD1 3.27Å; F85-I93 HydrophobicContact CD1-CD1 4.1Å; F85-I93 HydrophobicContact CE1-CD1 4.04Å; F85-Q148 HydrophobicContact CZ-CB 4.36Å; F85-V149 HydrophobicContact CE1-CG2 4.35Å; F85-R152 HydrophobicContact CB-CG 4.46Å; F85-R152 HydrophobicContact CD1-CB 4.3Å; F85-R152 HydrophobicContact CD1-CG 3.8Å; F85-R152 HydrophobicContact CD2-CB 4.2Å; F85-R152 HydrophobicContact CD2-CG 3.93Å; F85-R152 HydrophobicContact CE1-CB 3.91Å; F85-R152 HydrophobicContact CE1-CG 3.92Å; F85-R152 HydrophobicContact CE2-CB 3.81Å; F85-R152 HydrophobicContact CE2-CG 4.06Å; F85-R152 HydrophobicContact CG-CB 4.43Å; F85-R152 HydrophobicContact CG-CG 3.8Å; F85-R152 HydrophobicContact CZ-CB 3.65Å; F85-R152 HydrophobicContact CZ-CG 4.05Å |
| 86 | S | 82.6 | Confident | 85.4 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.014 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 166.7 | 176.2 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | Q88 E89 N90 D313 | S86-Q88 VanDerWaalsContact C-N 3.31Å; S86-E89 PolarHBondContact N-OE2 3.23Å; S86-E89 PolarHBondContact O-N 2.96Å; S86-E89 VanDerWaalsContact OG-CG 3.28Å; S86-E89 WeakPolarHBondContact OG-CG 3.49Å; S86-E89 PolarHBondContact OG-N 3.43Å; S86-N90 PolarHBondContact O-N 3.4Å; S86-N90 VanDerWaalsContact O-N 3.09Å; S86-N90 PolarHBondContact O-ND2 3.05Å; S86-D313 VanDerWaalsContact CB-OD2 3.26Å; S86-D313 WeakPolarHBondContact CB-OD2 3.42Å |
| 87 | V | 78.4 | Confident | 85.8 | Confident | 109 Ų | 109 | 64.2 Ų | 64.2 | 66% | 0.661 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | N90 Q91 | V87-N90 PolarHBondContact O-N 2.91Å; V87-Q91 PolarHBondContact O-N 3.35Å |
| 88 | Q | 84.9 | Confident | 86.2 | Confident | 134 Ų | 134 | 64.3 Ų | 64.3 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 176.7 | -65 | 173.1 | -3.3 | 0 | 0 | 111.7 | S86 N90 Q91 Q92 | S86-Q88 VanDerWaalsContact C-N 3.31Å; Q88-N90 VanDerWaalsContact C-N 3.3Å; Q88-N90 PolarHBondContact O-N 3.29Å; Q88-Q91 WeakPolarHBondContact O-CB 3.5Å; Q88-Q91 PolarHBondContact O-N 3.16Å; Q88-Q91 VanDerWaalsContact O-N 3.1Å; Q88-Q92 PolarHBondContact O-N 3.14Å |
| 89 | E | 86.4 | Confident | 86.7 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 176.9 | -71.4 | 176.1 | 130.3 | 0 | 0 | 111.3 | R81 F85 S86 Q91 Q92 I93 I142 R144 | R81-E89 WeakPolarHBondContact CD-OE1 3.12Å; F85-E89 VanDerWaalsContact CA-OE2 3.26Å; F85-E89 WeakPolarHBondContact CA-OE2 3.5Å; F85-E89 HydrophobicContact CD1-CB 4.03Å; S86-E89 PolarHBondContact N-OE2 3.23Å; S86-E89 PolarHBondContact O-N 2.96Å; S86-E89 VanDerWaalsContact OG-CG 3.28Å; S86-E89 WeakPolarHBondContact OG-CG 3.49Å; S86-E89 PolarHBondContact OG-N 3.43Å; E89-Q91 VanDerWaalsContact C-N 3.3Å; E89-Q91 PolarHBondContact O-N 2.95Å; E89-Q92 PolarHBondContact O-N 3.38Å; E89-I93 VanDerWaalsContact O-CG1 3.25Å; E89-I93 WeakPolarHBondContact O-CG1 3.46Å; E89-I93 PolarHBondContact O-N 3.39Å; E89-I142 HydrophobicContact CG-CG2 4.29Å; E89-R144 VanDerWaalsContact CD-NE 3.32Å; E89-R144 IonicContact OE1-CZ 2.6Å; E89-R144 IonicContact OE1-NE 3.96Å; E89-R144 PolarHBondContact OE1-NE 2.97Å; E89-R144 IonicContact OE1-NH2 3.48Å; E89-R144 PolarHBondContact OE1-NH2 3.33Å; E89-R144 IonicContact OE2-CZ 3.7Å; E89-R144 IonicContact OE2-NE 2.82Å; E89-R144 PolarHBondContact OE2-NE 2.92Å; E89-R144 IonicContact OE2-NH2 2.84Å; E89-R144 PolarHBondContact OE2-NH2 2.98Å |
| 90 | N | 87.2 | Confident | 87.3 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.08 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -36 | 176.4 | -64.8 | -45.1 | 0 | 0 | 0 | 111.8 | F85 S86 V87 Q88 I93 R94 R152 M156 | F85-N90 WeakPolarHBondContact CB-OD1 3.27Å; S86-N90 PolarHBondContact O-N 3.4Å; S86-N90 VanDerWaalsContact O-N 3.09Å; S86-N90 PolarHBondContact O-ND2 3.05Å; V87-N90 PolarHBondContact O-N 2.91Å; Q88-N90 VanDerWaalsContact C-N 3.3Å; Q88-N90 PolarHBondContact O-N 3.29Å; N90-I93 PolarHBondContact O-N 3.07Å; N90-R94 WeakPolarHBondContact O-CG 3.25Å; N90-R94 PolarHBondContact O-N 2.97Å; N90-R152 VanDerWaalsContact CG-NH2 3.32Å; N90-R152 PolarHBondContact ND2-NH2 3.3Å; N90-R152 VanDerWaalsContact OD1-CZ 3.32Å; N90-R152 PolarHBondContact OD1-NE 3.45Å; N90-R152 PolarHBondContact OD1-NH2 2.95Å; N90-M156 HydrophobicContact CB-CE 3.86Å; N90-M156 HydrophobicContact CB-SD 4.16Å; N90-M156 WeakPolarHBondContact O-CE 3.42Å; N90-M156 PolarHBondContact OD1-SD 3.12Å |
| 91 | Q | 88.8 | Confident | 88 | Confident | 80 Ų | 80 | 62 Ų | 62 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 176.9 | -175.7 | 53.6 | 28.1 | 0 | 0 | 111.4 | V87 Q88 E89 I93 R94 E95 | V87-Q91 PolarHBondContact O-N 3.35Å; Q88-Q91 WeakPolarHBondContact O-CB 3.5Å; Q88-Q91 PolarHBondContact O-N 3.16Å; Q88-Q91 VanDerWaalsContact O-N 3.1Å; E89-Q91 VanDerWaalsContact C-N 3.3Å; E89-Q91 PolarHBondContact O-N 2.95Å; Q91-I93 VanDerWaalsContact C-N 3.27Å; Q91-I93 PolarHBondContact O-N 3.5Å; Q91-R94 WeakPolarHBondContact O-CA 3.47Å; Q91-R94 WeakPolarHBondContact O-CB 3.37Å; Q91-R94 PolarHBondContact O-N 3.25Å; Q91-R94 VanDerWaalsContact OE1-NH1 3.15Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.43Å; Q91-E95 PolarHBondContact NE2-OE1 3.28Å; Q91-E95 PolarHBondContact O-N 3.32Å; Q91-E95 VanDerWaalsContact O-N 3.1Å |
| 92 | Q | 94.4 | Very high | 88.7 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.7 | -39.1 | 174 | -166.9 | 64.4 | 63.5 | 0 | 0 | 112.2 | Q88 E89 R94 E95 N96 I142 | Q88-Q92 PolarHBondContact O-N 3.14Å; E89-Q92 PolarHBondContact O-N 3.38Å; Q92-R94 VanDerWaalsContact C-N 3.28Å; Q92-R94 PolarHBondContact O-N 3.2Å; Q92-E95 PolarHBondContact O-N 3.16Å; Q92-N96 PolarHBondContact NE2-OD1 3.45Å; Q92-N96 WeakPolarHBondContact O-CB 3.34Å; Q92-N96 PolarHBondContact O-N 2.71Å; Q92-N96 PolarHBondContact O-ND2 3.06Å; Q92-N96 PolarHBondContact O-OD1 2.71Å; Q92-I142 HydrophobicContact CB-CD1 4.21Å; Q92-I142 HydrophobicContact CB-CG1 4.07Å; Q92-I142 HydrophobicContact CG-CD1 4.18Å; Q92-I142 HydrophobicContact CG-CG1 3.86Å |
| 93 | I | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 174.3 | -69 | 169.1 | 0 | 0 | 0 | 111.4 | F85 E89 N90 Q91 I97 I142 V149 R152 A153 M156 F157 | F85-I93 HydrophobicContact CD1-CD1 4.1Å; F85-I93 HydrophobicContact CE1-CD1 4.04Å; E89-I93 VanDerWaalsContact O-CG1 3.25Å; E89-I93 WeakPolarHBondContact O-CG1 3.46Å; E89-I93 PolarHBondContact O-N 3.39Å; N90-I93 PolarHBondContact O-N 3.07Å; Q91-I93 VanDerWaalsContact C-N 3.27Å; Q91-I93 PolarHBondContact O-N 3.5Å; I93-I97 HydrophobicContact CG2-CD1 3.87Å; I93-I97 WeakPolarHBondContact O-CB 3.3Å; I93-I97 WeakPolarHBondContact O-CD1 3.45Å; I93-I97 VanDerWaalsContact O-CG1 3.27Å; I93-I97 WeakPolarHBondContact O-CG1 3.38Å; I93-I97 PolarHBondContact O-N 3.42Å; I93-I97 VanDerWaalsContact O-N 3.15Å; I93-I142 HydrophobicContact CD1-CD1 4.31Å; I93-I142 HydrophobicContact CG1-CD1 3.42Å; I93-I142 VanDerWaalsContact CG1-CD1 3.42Å; I93-V149 HydrophobicContact CD1-CG1 3.83Å; I93-V149 HydrophobicContact CG1-CG1 3.69Å; I93-R152 HydrophobicContact CD1-CB 4.14Å; I93-R152 HydrophobicContact CD1-CG 3.66Å; I93-A153 HydrophobicContact CG2-CB 3.83Å; I93-M156 HydrophobicContact CD1-SD 4.29Å; I93-M156 HydrophobicContact CG2-SD 4.41Å; I93-F157 HydrophobicContact CG2-CE2 4.37Å |
| 94 | R | 94.4 | Very high | 90.5 | Very high | 112 Ų | 112 | 60.6 Ų | 60.6 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 179 | -63 | -172.6 | -175.8 | 93.2 | 1.1 | 111.2 | N90 Q91 Q92 I97 S98 M156 F157 | N90-R94 WeakPolarHBondContact O-CG 3.25Å; N90-R94 PolarHBondContact O-N 2.97Å; Q91-R94 WeakPolarHBondContact O-CA 3.47Å; Q91-R94 WeakPolarHBondContact O-CB 3.37Å; Q91-R94 PolarHBondContact O-N 3.25Å; Q91-R94 VanDerWaalsContact OE1-NH1 3.15Å; Q92-R94 VanDerWaalsContact C-N 3.28Å; Q92-R94 PolarHBondContact O-N 3.2Å; R94-I97 PolarHBondContact O-N 2.96Å; R94-S98 WeakPolarHBondContact O-CB 3.48Å; R94-S98 PolarHBondContact O-N 2.8Å; R94-M156 HydrophobicContact CG-CE 4.16Å; R94-F157 HydrophobicContact CB-CZ 4.47Å; R94-F157 HydrophobicContact CG-CZ 3.93Å |
| 95 | E | 96.8 | Very high | 91.4 | Very high | 79 Ų | 79 | 53.5 Ų | 53.5 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -51 | 178.5 | -72 | 163 | -162.1 | 0 | 0 | 110.9 | Q91 Q92 I97 S98 D99 | Q91-E95 WeakPolarHBondContact CG-OE1 3.43Å; Q91-E95 PolarHBondContact NE2-OE1 3.28Å; Q91-E95 PolarHBondContact O-N 3.32Å; Q91-E95 VanDerWaalsContact O-N 3.1Å; Q92-E95 PolarHBondContact O-N 3.16Å; E95-I97 PolarHBondContact O-N 3.13Å; E95-I97 VanDerWaalsContact O-N 3.15Å; E95-S98 WeakPolarHBondContact O-CA 3.44Å; E95-S98 VanDerWaalsContact O-CB 3.32Å; E95-S98 WeakPolarHBondContact O-CB 3.38Å; E95-S98 PolarHBondContact O-N 2.84Å; E95-D99 PolarHBondContact O-N 3.21Å |
| 96 | N | 97.1 | Very high | 92 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.5 | -34.3 | 178.2 | -65.9 | -4.1 | 0 | 0 | 0 | 112.8 | Q92 F100 R137 I138 D140 | Q92-N96 PolarHBondContact NE2-OD1 3.45Å; Q92-N96 WeakPolarHBondContact O-CB 3.34Å; Q92-N96 PolarHBondContact O-N 2.71Å; Q92-N96 PolarHBondContact O-ND2 3.06Å; Q92-N96 PolarHBondContact O-OD1 2.71Å; N96-F100 WeakPolarHBondContact O-CB 3.43Å; N96-F100 PolarHBondContact O-N 2.78Å; N96-F100 VanDerWaalsContact O-N 3.15Å; N96-R137 WeakPolarHBondContact CB-O 3.39Å; N96-R137 PolarHBondContact ND2-O 3.31Å; N96-I138 PolarHBondContact ND2-O 3.2Å; N96-D140 PolarHBondContact ND2-N 3.45Å; N96-D140 PolarHBondContact ND2-O 2.85Å |
| 97 | I | 95.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.5 | -46 | 174.5 | -75.4 | 167.7 | 0 | 0 | 0 | 110.8 | I93 R94 E95 D99 F100 L101 V109 L112 L113 I138 A153 F157 | I93-I97 HydrophobicContact CG2-CD1 3.87Å; I93-I97 WeakPolarHBondContact O-CB 3.3Å; I93-I97 WeakPolarHBondContact O-CD1 3.45Å; I93-I97 VanDerWaalsContact O-CG1 3.27Å; I93-I97 WeakPolarHBondContact O-CG1 3.38Å; I93-I97 PolarHBondContact O-N 3.42Å; I93-I97 VanDerWaalsContact O-N 3.15Å; R94-I97 PolarHBondContact O-N 2.96Å; E95-I97 PolarHBondContact O-N 3.13Å; E95-I97 VanDerWaalsContact O-N 3.15Å; I97-D99 VanDerWaalsContact C-N 3.32Å; I97-D99 PolarHBondContact O-N 2.91Å; I97-F100 PolarHBondContact O-N 3.41Å; I97-L101 HydrophobicContact CG2-CD1 4.19Å; I97-L101 HydrophobicContact CG2-CG 4.41Å; I97-L101 WeakPolarHBondContact O-CG 3.43Å; I97-L101 PolarHBondContact O-N 3.09Å; I97-V109 HydrophobicContact CG2-CG1 3.99Å; I97-V109 HydrophobicContact CG2-CG2 3.92Å; I97-L112 HydrophobicContact CG2-CD2 4.14Å; I97-L113 HydrophobicContact CD1-CD1 4.35Å; I97-I138 HydrophobicContact CD1-CD1 3.98Å; I97-I138 HydrophobicContact CG1-CD1 3.87Å; I97-I138 HydrophobicContact CG1-CG1 4.08Å; I97-A153 HydrophobicContact CD1-CB 4.07Å; I97-F157 HydrophobicContact CD1-CD2 3.84Å; I97-F157 HydrophobicContact CD1-CE2 3.27Å; I97-F157 HydrophobicContact CD1-CZ 3.84Å |
| 98 | S | 95.6 | Very high | 92.9 | Very high | 63 Ų | 63 | 52.5 Ų | 52.5 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.4 | -49.9 | 177.1 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | R94 E95 F100 L101 V102 | R94-S98 WeakPolarHBondContact O-CB 3.48Å; R94-S98 PolarHBondContact O-N 2.8Å; E95-S98 WeakPolarHBondContact O-CA 3.44Å; E95-S98 VanDerWaalsContact O-CB 3.32Å; E95-S98 WeakPolarHBondContact O-CB 3.38Å; E95-S98 PolarHBondContact O-N 2.84Å; S98-F100 VanDerWaalsContact C-N 3.29Å; S98-F100 PolarHBondContact O-N 2.82Å; S98-L101 WeakPolarHBondContact O-CB 3.38Å; S98-L101 PolarHBondContact O-N 3.43Å; S98-L101 VanDerWaalsContact O-N 3.11Å; S98-V102 WeakPolarHBondContact O-CG2 3.45Å; S98-V102 PolarHBondContact O-N 3.01Å |
| 99 | D | 96.2 | Very high | 93.2 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 178.9 | -65.8 | -14.1 | 0 | 0 | 0 | 112 | E95 I97 V102 L103 | E95-D99 PolarHBondContact O-N 3.21Å; I97-D99 VanDerWaalsContact C-N 3.32Å; I97-D99 PolarHBondContact O-N 2.91Å; D99-V102 PolarHBondContact O-N 3.13Å; D99-L103 WeakPolarHBondContact O-CB 3.42Å; D99-L103 PolarHBondContact O-N 3Å |
| 100 | F | 95.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 176.7 | -166 | -88.8 | 0 | 0 | 0 | 112.6 | N96 I97 S98 L103 T104 I106 L112 K129 H132 F134 R137 | N96-F100 WeakPolarHBondContact O-CB 3.43Å; N96-F100 PolarHBondContact O-N 2.78Å; N96-F100 VanDerWaalsContact O-N 3.15Å; I97-F100 PolarHBondContact O-N 3.41Å; S98-F100 VanDerWaalsContact C-N 3.29Å; S98-F100 PolarHBondContact O-N 2.82Å; F100-L103 PolarHBondContact O-N 3.47Å; F100-T104 HydrophobicContact CD1-CG2 4.05Å; F100-T104 HydrophobicContact CE1-CG2 3.56Å; F100-T104 HydrophobicContact CE2-CG2 4.27Å; F100-T104 HydrophobicContact CZ-CG2 3.67Å; F100-T104 WeakPolarHBondContact O-CB 3.46Å; F100-T104 WeakPolarHBondContact O-CG2 3.34Å; F100-T104 PolarHBondContact O-N 3.37Å; F100-T104 VanDerWaalsContact O-N 3.08Å; F100-T104 PolarHBondContact O-OG1 2.82Å; F100-I106 HydrophobicContact CE1-CD1 4.4Å; F100-L112 HydrophobicContact CD1-CD1 3.68Å; F100-L112 HydrophobicContact CD1-CD2 3.94Å; F100-L112 HydrophobicContact CD1-CG 4.48Å; F100-L112 HydrophobicContact CE1-CD1 3.61Å; F100-K129 HydrophobicContact CE1-CG 4.44Å; F100-H132 HydrophobicContact CE2-CB 3.68Å; F100-H132 HydrophobicContact CZ-CB 3.95Å; F100-F134 AromaticContact CD1-CD2 3.7Å; F100-F134 HydrophobicContact CD1-CD2 3.7Å; F100-F134 HydrophobicContact CD1-CE2 4.12Å; F100-F134 AromaticContact CD2-CD2 3.89Å; F100-F134 HydrophobicContact CD2-CD2 3.89Å; F100-F134 HydrophobicContact CE1-CB 4.41Å; F100-F134 AromaticContact CE1-CD2 3.66Å; F100-F134 HydrophobicContact CE1-CD2 3.66Å; F100-F134 HydrophobicContact CE1-CE2 4.42Å; F100-F134 HydrophobicContact CE1-CG 4.4Å; F100-F134 HydrophobicContact CE2-CB 3.89Å; F100-F134 AromaticContact CE2-CD2 3.86Å; F100-F134 HydrophobicContact CE2-CD2 3.86Å; F100-F134 HydrophobicContact CE2-CG 4.39Å; F100-F134 AromaticContact CG-CD2 3.82Å; F100-F134 HydrophobicContact CG-CD2 3.82Å; F100-F134 HydrophobicContact CG-CE2 4.29Å; F100-F134 HydrophobicContact CZ-CB 3.75Å; F100-F134 AromaticContact CZ-CD2 3.76Å; F100-F134 HydrophobicContact CZ-CD2 3.76Å; F100-F134 HydrophobicContact CZ-CG 4.2Å; F100-R137 HydrophobicContact CD2-CB 4.04Å; F100-R137 HydrophobicContact CD2-CG 4.31Å |
| 101 | L | 95.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 175.1 | -68.8 | 175.5 | 0 | 0 | 0 | 110.9 | I97 S98 L103 T104 G105 I106 V109 L112 | I97-L101 HydrophobicContact CG2-CD1 4.19Å; I97-L101 HydrophobicContact CG2-CG 4.41Å; I97-L101 WeakPolarHBondContact O-CG 3.43Å; I97-L101 PolarHBondContact O-N 3.09Å; S98-L101 WeakPolarHBondContact O-CB 3.38Å; S98-L101 PolarHBondContact O-N 3.43Å; S98-L101 VanDerWaalsContact O-N 3.11Å; L101-L103 VanDerWaalsContact C-N 3.34Å; L101-L103 PolarHBondContact O-N 2.98Å; L101-T104 PolarHBondContact O-N 3.38Å; L101-G105 WeakPolarHBondContact O-CA 3.43Å; L101-G105 PolarHBondContact O-N 3.03Å; L101-I106 HydrophobicContact CD2-CB 3.85Å; L101-I106 HydrophobicContact CD2-CG2 3.93Å; L101-I106 WeakPolarHBondContact CD2-O 3.28Å; L101-V109 HydrophobicContact CD1-CB 4.48Å; L101-V109 HydrophobicContact CD1-CG2 3.61Å; L101-L112 HydrophobicContact CD2-CB 3.99Å; L101-L112 HydrophobicContact CD2-CD2 3.7Å; L101-L112 HydrophobicContact CD2-CG 4.43Å; L101-L112 HydrophobicContact CG-CD2 4.14Å |
| 102 | V | 95.3 | Very high | 93.8 | Very high | 118 Ų | 118 | 48.7 Ų | 48.7 | 72% | 0.715 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.1 | -45.8 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 111 | S98 D99 T104 | S98-V102 WeakPolarHBondContact O-CG2 3.45Å; S98-V102 PolarHBondContact O-N 3.01Å; D99-V102 PolarHBondContact O-N 3.13Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-T104 PolarHBondContact O-N 3Å |
| 103 | L | 94.1 | Very high | 93.7 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 179.3 | -178.2 | 77.7 | 0 | 0 | 0 | 113.2 | D99 F100 L101 H132 | D99-L103 WeakPolarHBondContact O-CB 3.42Å; D99-L103 PolarHBondContact O-N 3Å; F100-L103 PolarHBondContact O-N 3.47Å; L101-L103 VanDerWaalsContact C-N 3.34Å; L101-L103 PolarHBondContact O-N 2.98Å; L103-H132 HydrophobicContact CD2-CB 4.03Å |
| 104 | T | 92.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 46 Ų | 46 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -100 | -11.6 | -169.5 | 58 | 0 | 0 | 0 | 0 | 114.3 | F100 L101 V102 I106 H132 | F100-T104 HydrophobicContact CD1-CG2 4.05Å; F100-T104 HydrophobicContact CE1-CG2 3.56Å; F100-T104 HydrophobicContact CE2-CG2 4.27Å; F100-T104 HydrophobicContact CZ-CG2 3.67Å; F100-T104 WeakPolarHBondContact O-CB 3.46Å; F100-T104 WeakPolarHBondContact O-CG2 3.34Å; F100-T104 PolarHBondContact O-N 3.37Å; F100-T104 VanDerWaalsContact O-N 3.08Å; F100-T104 PolarHBondContact O-OG1 2.82Å; L101-T104 PolarHBondContact O-N 3.38Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-T104 PolarHBondContact O-N 3Å; T104-I106 PolarHBondContact O-N 2.94Å; T104-I106 WeakPolarHBondContact OG1-CD1 3.08Å; T104-I106 WeakPolarHBondContact OG1-CG1 3.32Å; T104-H132 HydrophobicContact CG2-CB 4.47Å |
| 105 | G | 91.9 | Very high | 93.2 | Very high | 65 Ų | 65 | 41.1 Ų | 41.1 | 67% | 0.67 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 16.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | L101 G107 | L101-G105 WeakPolarHBondContact O-CA 3.43Å; L101-G105 PolarHBondContact O-N 3.03Å; G105-G107 PolarHBondContact O-N 3.48Å |
| 106 | I | 93.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | trans | -69.6 | 125.8 | 177.3 | -65.7 | 168.6 | 0 | 0 | 0 | 108.6 | F100 L101 T104 S108 K111 L112 I125 L128 | F100-I106 HydrophobicContact CE1-CD1 4.4Å; L101-I106 HydrophobicContact CD2-CB 3.85Å; L101-I106 HydrophobicContact CD2-CG2 3.93Å; L101-I106 WeakPolarHBondContact CD2-O 3.28Å; T104-I106 PolarHBondContact O-N 2.94Å; T104-I106 WeakPolarHBondContact OG1-CD1 3.08Å; T104-I106 WeakPolarHBondContact OG1-CG1 3.32Å; I106-S108 VanDerWaalsContact C-N 3.29Å; I106-S108 PolarHBondContact O-N 3.29Å; I106-K111 HydrophobicContact CG2-CB 3.95Å; I106-L112 HydrophobicContact CD1-CD1 3.88Å; I106-L112 HydrophobicContact CG2-CB 4.28Å; I106-I125 HydrophobicContact CD1-CG2 4.24Å; I106-L128 HydrophobicContact CD1-CD1 4.15Å; I106-L128 HydrophobicContact CG1-CD1 3.98Å | ||
| 107 | G | 88.6 | Confident | 92 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 75% | 0.753 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -71.2 | -11.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | G105 | G105-G107 PolarHBondContact O-N 3.48Š|
| 108 | S | 92.4 | Very high | 91.6 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | trans | -158 | 154.5 | 175.6 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | I106 E110 K111 L112 | I106-S108 VanDerWaalsContact C-N 3.29Å; I106-S108 PolarHBondContact O-N 3.29Å; S108-E110 PolarHBondContact O-N 2.77Å; S108-K111 PolarHBondContact O-N 3.48Å; S108-K111 WeakPolarHBondContact OG-CG 3.19Å; S108-K111 PolarHBondContact OG-N 3.37Å; S108-K111 VanDerWaalsContact OG-N 3.13Å; S108-L112 PolarHBondContact O-N 3.18Å | ||
| 109 | V | 91.4 | Very high | 91.2 | Very high | 38 Ų | 38 | 51 Ų | 51 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 111 | I97 L101 K111 L112 L113 F157 | I97-V109 HydrophobicContact CG2-CG1 3.99Å; I97-V109 HydrophobicContact CG2-CG2 3.92Å; L101-V109 HydrophobicContact CD1-CB 4.48Å; L101-V109 HydrophobicContact CD1-CG2 3.61Å; V109-K111 PolarHBondContact O-N 3.05Å; V109-L112 PolarHBondContact O-N 3.45Å; V109-L113 HydrophobicContact CG1-CD1 3.65Å; V109-L113 HydrophobicContact CG1-CG 4.1Å; V109-L113 WeakPolarHBondContact O-CB 3.35Å; V109-L113 PolarHBondContact O-N 2.99Å; V109-F157 HydrophobicContact CB-CD1 4.36Å; V109-F157 HydrophobicContact CG1-CB 3.97Å; V109-F157 HydrophobicContact CG1-CD1 3.54Å; V109-F157 HydrophobicContact CG1-CD2 4.26Å; V109-F157 HydrophobicContact CG1-CE1 3.97Å; V109-F157 HydrophobicContact CG1-CG 3.67Å; V109-F157 HydrophobicContact CG1-CZ 4.5Å; V109-F157 HydrophobicContact CG2-CE1 4.39Å |
| 110 | E | 90.4 | Very high | 90.9 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | -180 | -164.2 | -170.8 | -178.6 | 0 | 0 | 111.5 | S108 L112 L113 F114 R117 F118 | S108-E110 PolarHBondContact O-N 2.77Å; E110-L112 VanDerWaalsContact C-N 3.33Å; E110-L112 PolarHBondContact O-N 3.5Å; E110-L113 PolarHBondContact O-N 2.98Å; E110-F114 HydrophobicContact CG-CD2 3.88Å; E110-F114 CarbonylContact O-C 3.3Å; E110-F114 WeakPolarHBondContact O-CA 3.12Å; E110-F114 WeakPolarHBondContact O-CB 3.48Å; E110-F114 PolarHBondContact O-N 3.14Å; E110-R117 VanDerWaalsContact OE1-CD 3.24Å; E110-R117 WeakPolarHBondContact OE1-CD 3.25Å; E110-R117 IonicContact OE1-CZ 3.57Å; E110-R117 IonicContact OE1-NE 3.48Å; E110-R117 IonicContact OE1-NH1 2.74Å; E110-R117 PolarHBondContact OE1-NH1 3.02Å; E110-F118 HydrophobicContact CB-CE2 4.46Å; E110-F118 HydrophobicContact CG-CE2 4.1Å; E110-F118 HydrophobicContact CG-CZ 4.37Å |
| 111 | K | 91.4 | Very high | 90.6 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 175 | -75.2 | 179.4 | 177 | -158.9 | 0 | 111.5 | I106 S108 V109 P115 F118 E121 I125 | I106-K111 HydrophobicContact CG2-CB 3.95Å; S108-K111 PolarHBondContact O-N 3.48Å; S108-K111 WeakPolarHBondContact OG-CG 3.19Å; S108-K111 PolarHBondContact OG-N 3.37Å; S108-K111 VanDerWaalsContact OG-N 3.13Å; V109-K111 PolarHBondContact O-N 3.05Å; K111-P115 WeakPolarHBondContact O-CA 3.4Å; K111-F118 HydrophobicContact CB-CD2 4.3Å; K111-F118 HydrophobicContact CB-CE2 4.31Å; K111-F118 HydrophobicContact CG-CD1 4.15Å; K111-F118 HydrophobicContact CG-CD2 3.71Å; K111-F118 HydrophobicContact CG-CE1 4.08Å; K111-F118 HydrophobicContact CG-CE2 3.63Å; K111-F118 HydrophobicContact CG-CG 3.97Å; K111-F118 HydrophobicContact CG-CZ 3.83Å; K111-E121 WeakPolarHBondContact CE-OE1 3.22Å; K111-E121 IonicContact NZ-OE1 2.84Å; K111-E121 PolarHBondContact NZ-OE1 2.81Å; K111-E121 IonicContact NZ-OE2 2.8Å; K111-E121 PolarHBondContact NZ-OE2 3Å; K111-I125 HydrophobicContact CB-CD1 3.95Å |
| 112 | L | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 180 | 175.9 | 62.1 | 0 | 0 | 0 | 113.1 | I97 F100 L101 I106 S108 V109 E110 K129 F134 | I97-L112 HydrophobicContact CG2-CD2 4.14Å; F100-L112 HydrophobicContact CD1-CD1 3.68Å; F100-L112 HydrophobicContact CD1-CD2 3.94Å; F100-L112 HydrophobicContact CD1-CG 4.48Å; F100-L112 HydrophobicContact CE1-CD1 3.61Å; L101-L112 HydrophobicContact CD2-CB 3.99Å; L101-L112 HydrophobicContact CD2-CD2 3.7Å; L101-L112 HydrophobicContact CD2-CG 4.43Å; L101-L112 HydrophobicContact CG-CD2 4.14Å; I106-L112 HydrophobicContact CD1-CD1 3.88Å; I106-L112 HydrophobicContact CG2-CB 4.28Å; S108-L112 PolarHBondContact O-N 3.18Å; V109-L112 PolarHBondContact O-N 3.45Å; E110-L112 VanDerWaalsContact C-N 3.33Å; E110-L112 PolarHBondContact O-N 3.5Å; L112-K129 HydrophobicContact CD1-CD 4.1Å; L112-K129 HydrophobicContact CD1-CG 4.03Å; L112-K129 PolarHBondContact O-NZ 3.3Å; L112-F134 HydrophobicContact CD1-CD2 4Å; L112-F134 HydrophobicContact CD1-CE2 3.75Å; L112-F134 HydrophobicContact CD1-CZ 4.23Å; L112-F134 HydrophobicContact CD2-CE2 3.78Å; L112-F134 HydrophobicContact CD2-CZ 4.34Å; L112-F134 HydrophobicContact CG-CE2 3.89Å; L112-F134 HydrophobicContact CG-CZ 4.14Å |
| 113 | L | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -91.2 | -32.4 | -173.6 | -69.1 | -175.7 | 0 | 0 | 0 | 113.5 | I97 V109 E110 P115 F134 Y150 A153 L154 F157 | I97-L113 HydrophobicContact CD1-CD1 4.35Å; V109-L113 HydrophobicContact CG1-CD1 3.65Å; V109-L113 HydrophobicContact CG1-CG 4.1Å; V109-L113 WeakPolarHBondContact O-CB 3.35Å; V109-L113 PolarHBondContact O-N 2.99Å; E110-L113 PolarHBondContact O-N 2.98Å; L113-P115 WeakPolarHBondContact O-CD 3.46Å; L113-F134 HydrophobicContact CD2-CZ 3.89Å; L113-Y150 HydrophobicContact CD2-CE2 4.17Å; L113-A153 HydrophobicContact CD1-CB 4.43Å; L113-A153 HydrophobicContact CD2-CB 4.43Å; L113-L154 HydrophobicContact CB-CD2 4Å; L113-L154 HydrophobicContact CD2-CD2 4.38Å; L113-L154 WeakPolarHBondContact O-CD2 3.49Å; L113-F157 HydrophobicContact CD1-CB 3.55Å; L113-F157 HydrophobicContact CD1-CD2 3.72Å; L113-F157 HydrophobicContact CD1-CG 3.86Å |
| 114 | F | 89.9 | Confident | 90.1 | Very high | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | trans | -122.4 | 54.3 | -178.7 | -47.4 | -78.1 | 0 | 0 | 0 | 112.7 | E110 Q116 R117 L154 F157 D158 | E110-F114 HydrophobicContact CG-CD2 3.88Å; E110-F114 CarbonylContact O-C 3.3Å; E110-F114 WeakPolarHBondContact O-CA 3.12Å; E110-F114 WeakPolarHBondContact O-CB 3.48Å; E110-F114 PolarHBondContact O-N 3.14Å; F114-Q116 VanDerWaalsContact C-OE1 3.28Å; F114-Q116 PolarHBondContact O-N 3.39Å; F114-R117 HydrophobicContact CB-CG 4.07Å; F114-R117 WeakPolarHBondContact O-CB 3.33Å; F114-R117 PolarHBondContact O-N 3.49Å; F114-L154 HydrophobicContact CD1-CD2 4.33Å; F114-L154 HydrophobicContact CE1-CD2 3.79Å; F114-L154 HydrophobicContact CZ-CD2 4.13Å; F114-L154 WeakPolarHBondContact CZ-O 3.28Å; F114-F157 WeakPolarHBondContact CE2-O 3.34Å; F114-D158 HydrophobicContact CE1-CB 4.1Å; F114-D158 HydrophobicContact CE2-CB 4.32Å; F114-D158 HydrophobicContact CZ-CB 3.57Å | ||
| 115 | P | 88.7 | Confident | 90.1 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -60.9 | -19.5 | -176.9 | 27.5 | -36.8 | 0 | 0 | 0 | 113.1 | K111 L113 R117 F118 Q122 I125 | K111-P115 WeakPolarHBondContact O-CA 3.4Å; L113-P115 WeakPolarHBondContact O-CD 3.46Å; P115-R117 PolarHBondContact O-N 3.19Å; P115-F118 CarbonylContact O-C 3.5Å; P115-F118 PolarHBondContact O-N 2.85Å; P115-F118 VanDerWaalsContact O-N 3.1Å; P115-Q122 HydrophobicContact CB-CG 4.15Å; P115-I125 HydrophobicContact CB-CB 4.34Å; P115-I125 HydrophobicContact CB-CD1 4.35Å; P115-I125 HydrophobicContact CB-CG2 4.06Å |
| 116 | Q | 83.8 | Confident | 90.2 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -63.6 | -18.4 | 173.1 | 67.3 | -82.7 | 6.4 | 0 | 0 | 114.7 | F114 F118 | F114-Q116 VanDerWaalsContact C-OE1 3.28Å; F114-Q116 PolarHBondContact O-N 3.39Å; Q116-F118 VanDerWaalsContact C-N 3.3Å |
| 117 | R | 84.9 | Confident | 90.2 | Very high | 78 Ų | 78 | 65.3 Ų | 65.3 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -78.8 | -18.4 | 174.6 | -62.2 | -179.8 | -176 | 176.8 | 4 | 111.6 | E110 F114 P115 D158 | E110-R117 VanDerWaalsContact OE1-CD 3.24Å; E110-R117 WeakPolarHBondContact OE1-CD 3.25Å; E110-R117 IonicContact OE1-CZ 3.57Å; E110-R117 IonicContact OE1-NE 3.48Å; E110-R117 IonicContact OE1-NH1 2.74Å; E110-R117 PolarHBondContact OE1-NH1 3.02Å; F114-R117 HydrophobicContact CB-CG 4.07Å; F114-R117 WeakPolarHBondContact O-CB 3.33Å; F114-R117 PolarHBondContact O-N 3.49Å; P115-R117 PolarHBondContact O-N 3.19Å; R117-D158 IonicContact CZ-OD1 3.36Å; R117-D158 IonicContact NH1-OD1 3.73Å; R117-D158 IonicContact NH2-OD1 2.84Å; R117-D158 PolarHBondContact NH2-OD1 3.08Å |
| 118 | F | 88.1 | Confident | 90.4 | Very high | 53 Ų | 53 | 64 Ų | 64 | 23% | 0.232 | 32% | 0.32 | C | S | . | . | trans | -121.1 | 79.1 | -174.2 | -55.4 | -83.7 | 0 | 0 | 0 | 109.8 | E110 K111 P115 Q116 E120 E121 Q122 | E110-F118 HydrophobicContact CB-CE2 4.46Å; E110-F118 HydrophobicContact CG-CE2 4.1Å; E110-F118 HydrophobicContact CG-CZ 4.37Å; K111-F118 HydrophobicContact CB-CD2 4.3Å; K111-F118 HydrophobicContact CB-CE2 4.31Å; K111-F118 HydrophobicContact CG-CD1 4.15Å; K111-F118 HydrophobicContact CG-CD2 3.71Å; K111-F118 HydrophobicContact CG-CE1 4.08Å; K111-F118 HydrophobicContact CG-CE2 3.63Å; K111-F118 HydrophobicContact CG-CG 3.97Å; K111-F118 HydrophobicContact CG-CZ 3.83Å; P115-F118 CarbonylContact O-C 3.5Å; P115-F118 PolarHBondContact O-N 2.85Å; P115-F118 VanDerWaalsContact O-N 3.1Å; Q116-F118 VanDerWaalsContact C-N 3.3Å; F118-E120 VanDerWaalsContact C-N 3.28Å; F118-E120 PolarHBondContact O-N 3.12Å; F118-E121 HydrophobicContact CB-CB 4.42Å; F118-E121 PolarHBondContact O-N 3.22Å; F118-Q122 WeakPolarHBondContact O-CB 3.49Å; F118-Q122 PolarHBondContact O-N 3.29Å | ||
| 119 | I | 86.9 | Confident | 90.5 | Very high | 145 Ų | 145 | 63.5 Ų | 63.5 | 74% | 0.744 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -41 | -169.4 | -66.1 | 162.4 | 0 | 0 | 0 | 112.2 | Q122 | I119-Q122 WeakPolarHBondContact O-CB 3.35Š|
| 120 | E | 89.3 | Confident | 90.5 | Very high | 192 Ų | 192 | 70.4 Ų | 70.4 | 90% | 0.897 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -45.7 | -178.1 | -62.9 | 175.1 | -175.9 | 0 | 0 | 112.1 | F118 | F118-E120 VanDerWaalsContact C-N 3.28Å; F118-E120 PolarHBondContact O-N 3.12Å |
| 121 | E | 89.5 | Confident | 90.7 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.5 | -177.3 | -64.8 | 175.7 | -113.6 | 0 | 0 | 113 | K111 F118 A123 A124 I125 | K111-E121 WeakPolarHBondContact CE-OE1 3.22Å; K111-E121 IonicContact NZ-OE1 2.84Å; K111-E121 PolarHBondContact NZ-OE1 2.81Å; K111-E121 IonicContact NZ-OE2 2.8Å; K111-E121 PolarHBondContact NZ-OE2 3Å; F118-E121 HydrophobicContact CB-CB 4.42Å; F118-E121 PolarHBondContact O-N 3.22Å; E121-A123 VanDerWaalsContact C-N 3.31Å; E121-A123 PolarHBondContact O-N 2.75Å; E121-A124 PolarHBondContact O-N 2.97Å; E121-A124 VanDerWaalsContact O-N 3.16Å; E121-I125 HydrophobicContact CB-CD1 3.85Å; E121-I125 HydrophobicContact CB-CG1 4.44Å; E121-I125 WeakPolarHBondContact O-CG1 3.24Å; E121-I125 PolarHBondContact O-N 3.26Å |
| 122 | Q | 90.3 | Very high | 90.8 | Very high | 45 Ų | 45 | 73.5 Ų | 73.5 | 21% | 0.21 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.3 | -44 | -172.2 | -172 | -171.6 | -109.7 | 0 | 0 | 113.1 | P115 F118 I119 R126 | P115-Q122 HydrophobicContact CB-CG 4.15Å; F118-Q122 WeakPolarHBondContact O-CB 3.49Å; F118-Q122 PolarHBondContact O-N 3.29Å; I119-Q122 WeakPolarHBondContact O-CB 3.35Å; Q122-R126 VanDerWaalsContact CD-CZ 3.49Å; Q122-R126 VanDerWaalsContact NE2-NH2 3.17Å; Q122-R126 WeakPolarHBondContact O-CB 3.24Å; Q122-R126 VanDerWaalsContact O-CG 3.28Å; Q122-R126 WeakPolarHBondContact O-CG 3.26Å; Q122-R126 PolarHBondContact O-N 3.33Å; Q122-R126 VanDerWaalsContact O-N 3.07Å |
| 123 | A | 92 | Very high | 90.7 | Very high | 73 Ų | 73 | 74.8 Ų | 74.8 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.7 | -42.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E121 R126 K127 | E121-A123 VanDerWaalsContact C-N 3.31Å; E121-A123 PolarHBondContact O-N 2.75Å; A123-R126 PolarHBondContact O-N 2.83Å; A123-K127 PolarHBondContact O-N 3.21Å |
| 124 | A | 93.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 75 Ų | 75 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E121 R126 K127 L128 | E121-A124 PolarHBondContact O-N 2.97Å; E121-A124 VanDerWaalsContact O-N 3.16Å; A124-R126 VanDerWaalsContact C-N 3.34Å; A124-R126 PolarHBondContact O-N 2.87Å; A124-K127 WeakPolarHBondContact O-CB 3.33Å; A124-K127 PolarHBondContact O-N 2.73Å; A124-K127 VanDerWaalsContact O-N 3.12Å; A124-L128 PolarHBondContact O-N 2.85Å |
| 125 | I | 92.5 | Very high | 91 | Very high | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 178.1 | -65.6 | 163.1 | 0 | 0 | 0 | 111 | I106 K111 P115 E121 K127 L128 K129 | I106-I125 HydrophobicContact CD1-CG2 4.24Å; K111-I125 HydrophobicContact CB-CD1 3.95Å; P115-I125 HydrophobicContact CB-CB 4.34Å; P115-I125 HydrophobicContact CB-CD1 4.35Å; P115-I125 HydrophobicContact CB-CG2 4.06Å; E121-I125 HydrophobicContact CB-CD1 3.85Å; E121-I125 HydrophobicContact CB-CG1 4.44Å; E121-I125 WeakPolarHBondContact O-CG1 3.24Å; E121-I125 PolarHBondContact O-N 3.26Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 3.16Å; I125-L128 PolarHBondContact O-N 3.46Å; I125-K129 HydrophobicContact CG2-CD 4.01Å; I125-K129 HydrophobicContact CG2-CG 4.41Å; I125-K129 VanDerWaalsContact O-CG 3.3Å; I125-K129 WeakPolarHBondContact O-CG 3.28Å; I125-K129 PolarHBondContact O-N 3.18Å |
| 126 | R | 92.7 | Very high | 91.2 | Very high | 139 Ų | 139 | 81.4 Ų | 81.4 | 53% | 0.525 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 176.3 | -75.6 | 178.1 | -173.1 | 173.1 | 7.5 | 112.4 | Q122 A123 A124 K130 | Q122-R126 VanDerWaalsContact CD-CZ 3.49Å; Q122-R126 VanDerWaalsContact NE2-NH2 3.17Å; Q122-R126 WeakPolarHBondContact O-CB 3.24Å; Q122-R126 VanDerWaalsContact O-CG 3.28Å; Q122-R126 WeakPolarHBondContact O-CG 3.26Å; Q122-R126 PolarHBondContact O-N 3.33Å; Q122-R126 VanDerWaalsContact O-N 3.07Å; A123-R126 PolarHBondContact O-N 2.83Å; A124-R126 VanDerWaalsContact C-N 3.34Å; A124-R126 PolarHBondContact O-N 2.87Å; R126-K130 PolarHBondContact O-N 3.43Å; R126-K130 VanDerWaalsContact O-N 3.16Å |
| 127 | K | 93.8 | Very high | 91.7 | Very high | 134 Ų | 134 | 82.7 Ų | 82.7 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.4 | -49 | 176 | -173.3 | -178.3 | 175.1 | -175.4 | 0 | 110.7 | A123 A124 I125 K129 K130 Q131 | A123-K127 PolarHBondContact O-N 3.21Å; A124-K127 WeakPolarHBondContact O-CB 3.33Å; A124-K127 PolarHBondContact O-N 2.73Å; A124-K127 VanDerWaalsContact O-N 3.12Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 3.16Å; K127-K129 PolarHBondContact O-N 3.36Å; K127-K130 PolarHBondContact O-N 2.88Å; K127-K130 VanDerWaalsContact O-N 3.14Å; K127-Q131 HydrophobicContact CG-CG 4.43Å; K127-Q131 WeakPolarHBondContact O-CG 3.26Å; K127-Q131 PolarHBondContact O-N 3.03Å |
| 128 | L | 93.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 79 Ų | 79 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 177 | -70.8 | 170.1 | 0 | 0 | 0 | 112.1 | I106 A124 I125 K130 Q131 H132 | I106-L128 HydrophobicContact CD1-CD1 4.15Å; I106-L128 HydrophobicContact CG1-CD1 3.98Å; A124-L128 PolarHBondContact O-N 2.85Å; I125-L128 PolarHBondContact O-N 3.46Å; L128-K130 VanDerWaalsContact C-N 3.26Å; L128-K130 PolarHBondContact O-N 3.14Å; L128-Q131 PolarHBondContact O-N 3Å; L128-H132 PolarHBondContact O-CD2 3.49Å; L128-H132 PolarHBondContact O-N 2.87Å |
| 129 | K | 93.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.1 | -37.1 | 176.9 | -70.8 | 176.3 | 82.3 | 161.9 | 0 | 112.8 | F100 L112 I125 K127 G133 F134 | F100-K129 HydrophobicContact CE1-CG 4.44Å; L112-K129 HydrophobicContact CD1-CD 4.1Å; L112-K129 HydrophobicContact CD1-CG 4.03Å; L112-K129 PolarHBondContact O-NZ 3.3Å; I125-K129 HydrophobicContact CG2-CD 4.01Å; I125-K129 HydrophobicContact CG2-CG 4.41Å; I125-K129 VanDerWaalsContact O-CG 3.3Å; I125-K129 WeakPolarHBondContact O-CG 3.28Å; I125-K129 PolarHBondContact O-N 3.18Å; K127-K129 PolarHBondContact O-N 3.36Å; K129-G133 PolarHBondContact O-N 3.11Å; K129-F134 HydrophobicContact CB-CB 3.77Å; K129-F134 HydrophobicContact CB-CG 4.34Å; K129-F134 HydrophobicContact CD-CD1 4.33Å; K129-F134 HydrophobicContact CD-CG 4.44Å; K129-F134 HydrophobicContact CG-CB 3.97Å; K129-F134 HydrophobicContact CG-CD1 4.39Å; K129-F134 HydrophobicContact CG-CG 4.04Å; K129-F134 WeakPolarHBondContact O-CB 3.39Å; K129-F134 PolarHBondContact O-N 2.89Å |
| 130 | K | 92.7 | Very high | 92.8 | Very high | 183 Ų | 183 | 73.9 Ų | 73.9 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.7 | -44.1 | 176.8 | -171.6 | -178.3 | 178.8 | -173.2 | 0 | 111.5 | R126 K127 L128 H132 | R126-K130 PolarHBondContact O-N 3.43Å; R126-K130 VanDerWaalsContact O-N 3.16Å; K127-K130 PolarHBondContact O-N 2.88Å; K127-K130 VanDerWaalsContact O-N 3.14Å; L128-K130 VanDerWaalsContact C-N 3.26Å; L128-K130 PolarHBondContact O-N 3.14Å; K130-H132 PolarHBondContact O-N 2.78Å |
| 131 | Q | 93.8 | Very high | 92.9 | Very high | 119 Ų | 119 | 66.9 Ų | 66.9 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.9 | -40.8 | -178.4 | -75.6 | 175.7 | -46.3 | 0 | 0 | 112.5 | K127 L128 | K127-Q131 HydrophobicContact CG-CG 4.43Å; K127-Q131 WeakPolarHBondContact O-CG 3.26Å; K127-Q131 PolarHBondContact O-N 3.03Å; L128-Q131 PolarHBondContact O-N 3Å |
| 132 | H | 92.9 | Very high | 93 | Very high | 64 Ų | 64 | 63.2 Ų | 63.2 | 30% | 0.296 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 10.5 | -175.9 | -65 | -80.2 | 0 | 0 | 0 | 114.3 | F100 L103 T104 L128 K130 R137 | F100-H132 HydrophobicContact CE2-CB 3.68Å; F100-H132 HydrophobicContact CZ-CB 3.95Å; L103-H132 HydrophobicContact CD2-CB 4.03Å; T104-H132 HydrophobicContact CG2-CB 4.47Å; L128-H132 PolarHBondContact O-CD2 3.49Å; L128-H132 PolarHBondContact O-N 2.87Å; K130-H132 PolarHBondContact O-N 2.78Å; H132-R137 PolarHBondContact O-NE 3.44Å |
| 133 | G | 92 | Very high | 93 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K129 M135 E136 R137 | K129-G133 PolarHBondContact O-N 3.11Å; G133-M135 VanDerWaalsContact C-N 3.25Å; G133-M135 PolarHBondContact O-N 3.44Å; G133-E136 PolarHBondContact O-N 3.49Å; G133-R137 PolarHBondContact O-N 3.08Å; G133-R137 VanDerWaalsContact O-N 3.17Å |
| 134 | F | 94.4 | Very high | 93 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.022 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -50.3 | -39.6 | -171.1 | 173.5 | -106.5 | 0 | 0 | 0 | 115.1 | F100 L112 L113 K129 E136 R137 I138 Y150 | F100-F134 AromaticContact CD1-CD2 3.7Å; F100-F134 HydrophobicContact CD1-CD2 3.7Å; F100-F134 HydrophobicContact CD1-CE2 4.12Å; F100-F134 AromaticContact CD2-CD2 3.89Å; F100-F134 HydrophobicContact CD2-CD2 3.89Å; F100-F134 HydrophobicContact CE1-CB 4.41Å; F100-F134 AromaticContact CE1-CD2 3.66Å; F100-F134 HydrophobicContact CE1-CD2 3.66Å; F100-F134 HydrophobicContact CE1-CE2 4.42Å; F100-F134 HydrophobicContact CE1-CG 4.4Å; F100-F134 HydrophobicContact CE2-CB 3.89Å; F100-F134 AromaticContact CE2-CD2 3.86Å; F100-F134 HydrophobicContact CE2-CD2 3.86Å; F100-F134 HydrophobicContact CE2-CG 4.39Å; F100-F134 AromaticContact CG-CD2 3.82Å; F100-F134 HydrophobicContact CG-CD2 3.82Å; F100-F134 HydrophobicContact CG-CE2 4.29Å; F100-F134 HydrophobicContact CZ-CB 3.75Å; F100-F134 AromaticContact CZ-CD2 3.76Å; F100-F134 HydrophobicContact CZ-CD2 3.76Å; F100-F134 HydrophobicContact CZ-CG 4.2Å; L112-F134 HydrophobicContact CD1-CD2 4Å; L112-F134 HydrophobicContact CD1-CE2 3.75Å; L112-F134 HydrophobicContact CD1-CZ 4.23Å; L112-F134 HydrophobicContact CD2-CE2 3.78Å; L112-F134 HydrophobicContact CD2-CZ 4.34Å; L112-F134 HydrophobicContact CG-CE2 3.89Å; L112-F134 HydrophobicContact CG-CZ 4.14Å; L113-F134 HydrophobicContact CD2-CZ 3.89Å; K129-F134 HydrophobicContact CB-CB 3.77Å; K129-F134 HydrophobicContact CB-CG 4.34Å; K129-F134 HydrophobicContact CD-CD1 4.33Å; K129-F134 HydrophobicContact CD-CG 4.44Å; K129-F134 HydrophobicContact CG-CB 3.97Å; K129-F134 HydrophobicContact CG-CD1 4.39Å; K129-F134 HydrophobicContact CG-CG 4.04Å; K129-F134 WeakPolarHBondContact O-CB 3.39Å; K129-F134 PolarHBondContact O-N 2.89Å; F134-E136 VanDerWaalsContact C-N 3.32Å; F134-E136 PolarHBondContact O-N 2.85Å; F134-R137 PolarHBondContact O-N 3.01Å; F134-I138 HydrophobicContact CE1-CD1 4.34Å; F134-I138 HydrophobicContact CE2-CB 4.33Å; F134-I138 HydrophobicContact CE2-CD1 4.27Å; F134-I138 HydrophobicContact CZ-CB 4.35Å; F134-I138 HydrophobicContact CZ-CD1 3.7Å; F134-I138 WeakPolarHBondContact O-CG2 3.28Å; F134-I138 PolarHBondContact O-N 2.97Å; F134-Y150 AromaticContact CE1-CD2 3.74Å; F134-Y150 HydrophobicContact CE1-CD2 3.74Å; F134-Y150 AromaticContact CE1-CE2 3.69Å; F134-Y150 HydrophobicContact CE1-CE2 3.69Å; F134-Y150 HydrophobicContact CZ-CD2 4.45Å; F134-Y150 HydrophobicContact CZ-CE2 4.44Å |
| 135 | M | 92.6 | Very high | 92.9 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -33.3 | -177.3 | -67.8 | -62.9 | -119.4 | 0 | 0 | 112.9 | G133 I138 C146 Y150 | G133-M135 VanDerWaalsContact C-N 3.25Å; G133-M135 PolarHBondContact O-N 3.44Å; M135-I138 WeakPolarHBondContact O-CG2 3.48Å; M135-C146 HydrophobicContact CB-CB 4.4Å; M135-C146 WeakPolarHBondContact O-CB 3.33Å; M135-C146 PolarHBondContact O-SG 3.43Å; M135-Y150 HydrophobicContact CE-CD1 3.84Å; M135-Y150 HydrophobicContact CE-CE1 4.4Å; M135-Y150 HydrophobicContact CE-CG 3.98Å; M135-Y150 HydrophobicContact SD-CD1 4.25Å; M135-Y150 HydrophobicContact SD-CD2 4.06Å; M135-Y150 HydrophobicContact SD-CG 3.81Å |
| 136 | E | 92.5 | Very high | 92.9 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.1 | -44.4 | 176.6 | -72.4 | 163.5 | -154.8 | 0 | 0 | 110 | G133 F134 I138 A139 D140 | G133-E136 PolarHBondContact O-N 3.49Å; F134-E136 VanDerWaalsContact C-N 3.32Å; F134-E136 PolarHBondContact O-N 2.85Å; E136-I138 PolarHBondContact O-N 2.87Å; E136-A139 CarbonylContact O-C 3.31Å; E136-A139 PolarHBondContact O-N 3.13Å; E136-A139 VanDerWaalsContact O-N 3.11Å; E136-D140 PolarHBondContact O-N 3.29Å |
| 137 | R | 94.2 | Very high | 92.8 | Very high | 113 Ų | 113 | 54 Ų | 54 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 179.2 | -67.7 | -129 | -171.6 | -172.3 | -1.1 | 113.3 | N96 F100 H132 G133 F134 A139 D140 | N96-R137 WeakPolarHBondContact CB-O 3.39Å; N96-R137 PolarHBondContact ND2-O 3.31Å; F100-R137 HydrophobicContact CD2-CB 4.04Å; F100-R137 HydrophobicContact CD2-CG 4.31Å; H132-R137 PolarHBondContact O-NE 3.44Å; G133-R137 PolarHBondContact O-N 3.08Å; G133-R137 VanDerWaalsContact O-N 3.17Å; F134-R137 PolarHBondContact O-N 3.01Å; R137-A139 PolarHBondContact O-N 3.08Å; R137-D140 WeakPolarHBondContact O-CB 3.48Å; R137-D140 PolarHBondContact O-N 3.04Å |
| 138 | I | 95.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -27.5 | 179.1 | -165.8 | 168.8 | 0 | 0 | 0 | 112.2 | N96 I97 F134 M135 E136 V149 A153 | N96-I138 PolarHBondContact ND2-O 3.2Å; I97-I138 HydrophobicContact CD1-CD1 3.98Å; I97-I138 HydrophobicContact CG1-CD1 3.87Å; I97-I138 HydrophobicContact CG1-CG1 4.08Å; F134-I138 HydrophobicContact CE1-CD1 4.34Å; F134-I138 HydrophobicContact CE2-CB 4.33Å; F134-I138 HydrophobicContact CE2-CD1 4.27Å; F134-I138 HydrophobicContact CZ-CB 4.35Å; F134-I138 HydrophobicContact CZ-CD1 3.7Å; F134-I138 WeakPolarHBondContact O-CG2 3.28Å; F134-I138 PolarHBondContact O-N 2.97Å; M135-I138 WeakPolarHBondContact O-CG2 3.48Å; E136-I138 PolarHBondContact O-N 2.87Å; I138-V149 HydrophobicContact CG1-CG1 4.39Å; I138-A153 HydrophobicContact CD1-CB 3.56Å |
| 139 | A | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R69 E136 R137 G141 I142 C146 V149 | R69-A139 VanDerWaalsContact CZ-CB 3.48Å; R69-A139 PolarHBondContact NH2-O 3.42Å; E136-A139 CarbonylContact O-C 3.31Å; E136-A139 PolarHBondContact O-N 3.13Å; E136-A139 VanDerWaalsContact O-N 3.11Å; R137-A139 PolarHBondContact O-N 3.08Å; A139-G141 PolarHBondContact O-N 3.45Å; A139-I142 PolarHBondContact O-N 2.78Å; A139-I142 VanDerWaalsContact O-N 3.07Å; A139-C146 HydrophobicContact CB-CB 4.23Å; A139-V149 HydrophobicContact CB-CB 4.13Å; A139-V149 HydrophobicContact CB-CG1 4.33Å; A139-V149 HydrophobicContact CB-CG2 4.03Å |
| 140 | D | 93.8 | Very high | 92.5 | Very high | 91 Ų | 91 | 50 Ų | 50 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 138.9 | -178 | -164.7 | 24.7 | 0 | 0 | 0 | 111.4 | N96 E136 R137 I142 | N96-D140 PolarHBondContact ND2-N 3.45Å; N96-D140 PolarHBondContact ND2-O 2.85Å; E136-D140 PolarHBondContact O-N 3.29Å; R137-D140 WeakPolarHBondContact O-CB 3.48Å; R137-D140 PolarHBondContact O-N 3.04Å; D140-I142 PolarHBondContact O-N 3.46Å; D140-I142 VanDerWaalsContact O-N 3.11Å |
| 141 | G | 90.8 | Very high | 92.4 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 46% | 0.464 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | -2.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | A139 | A139-G141 PolarHBondContact O-N 3.45Š|
| 142 | I | 92.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -104.9 | 120.1 | -177.1 | -58.6 | 165 | 0 | 0 | 0 | 110.3 | R69 E89 Q92 I93 A139 D140 R144 V149 | R69-I142 PolarHBondContact NH2-O 2.71Å; E89-I142 HydrophobicContact CG-CG2 4.29Å; Q92-I142 HydrophobicContact CB-CD1 4.21Å; Q92-I142 HydrophobicContact CB-CG1 4.07Å; Q92-I142 HydrophobicContact CG-CD1 4.18Å; Q92-I142 HydrophobicContact CG-CG1 3.86Å; I93-I142 HydrophobicContact CD1-CD1 4.31Å; I93-I142 HydrophobicContact CG1-CD1 3.42Å; I93-I142 VanDerWaalsContact CG1-CD1 3.42Å; A139-I142 PolarHBondContact O-N 2.78Å; A139-I142 VanDerWaalsContact O-N 3.07Å; D140-I142 PolarHBondContact O-N 3.46Å; D140-I142 VanDerWaalsContact O-N 3.11Å; I142-R144 HydrophobicContact CG2-CB 4.06Å; I142-R144 HydrophobicContact CG2-CG 4.15Å; I142-R144 PolarHBondContact O-N 3.1Å; I142-V149 HydrophobicContact CB-CG2 4.31Å; I142-V149 HydrophobicContact CD1-CG1 3.76Å; I142-V149 HydrophobicContact CD1-CG2 4.47Å; I142-V149 HydrophobicContact CG2-CG2 3.85Å | ||
| 143 | P | 90.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -78.5 | 49.4 | -176.4 | 34.2 | -37.1 | 0 | 0 | 0 | 112.7 | F73 V78 R81 | F73-P143 HydrophobicContact CD2-CB 4.38Å; F73-P143 HydrophobicContact CE2-CB 4.43Å; V78-P143 HydrophobicContact CG1-CB 3.82Å; V78-P143 HydrophobicContact CG1-CG 4.13Å; R81-P143 HydrophobicContact CB-CG 4.26Å; R81-P143 HydrophobicContact CG-CG 4Å; R81-P143 PolarHBondContact N-O 2.97Å |
| 144 | R | 90.6 | Very high | 92 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -136.9 | 158 | 178.6 | -62.8 | -172.7 | -172.2 | -108.2 | 5.4 | 111.7 | R69 R81 G83 R84 E89 I142 C146 V149 | R69-R144 PolarHBondContact NH1-O 3.27Å; R69-R144 PolarHBondContact NH2-O 3.05Å; R81-R144 HydrophobicContact CB-CG 4.34Å; R81-R144 PolarHBondContact O-NH1 3.07Å; G83-R144 PolarHBondContact O-NH1 3.24Å; G83-R144 VanDerWaalsContact O-NH1 3.13Å; R84-R144 PolarHBondContact O-NH2 3.36Å; E89-R144 VanDerWaalsContact CD-NE 3.32Å; E89-R144 IonicContact OE1-CZ 2.6Å; E89-R144 IonicContact OE1-NE 3.96Å; E89-R144 PolarHBondContact OE1-NE 2.97Å; E89-R144 IonicContact OE1-NH2 3.48Å; E89-R144 PolarHBondContact OE1-NH2 3.33Å; E89-R144 IonicContact OE2-CZ 3.7Å; E89-R144 IonicContact OE2-NE 2.82Å; E89-R144 PolarHBondContact OE2-NE 2.92Å; E89-R144 IonicContact OE2-NH2 2.84Å; E89-R144 PolarHBondContact OE2-NH2 2.98Å; I142-R144 HydrophobicContact CG2-CB 4.06Å; I142-R144 HydrophobicContact CG2-CG 4.15Å; I142-R144 PolarHBondContact O-N 3.1Å; R144-C146 PolarHBondContact O-N 2.93Å; R144-V149 HydrophobicContact CB-CG2 4.01Å |
| 145 | P | 90.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | trans | -60.7 | 137.1 | 176.6 | -22.8 | 32.5 | 0 | 0 | 0 | 112.2 | M48 D66 F70 H147 Q148 V149 | M48-P145 HydrophobicContact CE-CB 4.39Å; M48-P145 HydrophobicContact CE-CG 3.98Å; M48-P145 HydrophobicContact CG-CG 3.97Å; M48-P145 HydrophobicContact SD-CB 4.11Å; M48-P145 HydrophobicContact SD-CG 3.62Å; D66-P145 VanDerWaalsContact OD1-CA 3.28Å; D66-P145 WeakPolarHBondContact OD1-CA 3.4Å; F70-P145 HydrophobicContact CZ-CB 4.41Å; F70-P145 HydrophobicContact CZ-CG 3.98Å; P145-H147 PolarHBondContact O-N 2.95Å; P145-Q148 HydrophobicContact CB-CG 4.31Å; P145-Q148 HydrophobicContact CG-CG 4.38Å; P145-Q148 WeakPolarHBondContact O-CB 3.38Å; P145-Q148 PolarHBondContact O-N 3.34Å; P145-V149 PolarHBondContact O-N 3.26Å | ||
| 146 | C | 92.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -48.2 | -42.6 | -178.7 | -71.8 | 0 | 0 | 0 | 0 | 112.2 | D66 R69 M135 A139 R144 Q148 V149 Y150 | D66-C146 PolarHBondContact OD1-N 2.77Å; D66-C146 PolarHBondContact OD1-SG 2.75Å; R69-C146 PolarHBondContact NH1-SG 3.33Å; M135-C146 HydrophobicContact CB-CB 4.4Å; M135-C146 WeakPolarHBondContact O-CB 3.33Å; M135-C146 PolarHBondContact O-SG 3.43Å; A139-C146 HydrophobicContact CB-CB 4.23Å; R144-C146 PolarHBondContact O-N 2.93Å; C146-Q148 PolarHBondContact O-N 3.45Å; C146-V149 PolarHBondContact O-N 3.4Å; C146-Y150 WeakPolarHBondContact O-CB 3.48Å; C146-Y150 PolarHBondContact O-N 3.39Å |
| 147 | H | 90.6 | Very high | 90.8 | Very high | 107 Ų | 107 | 39 Ų | 39 | 50% | 0.495 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64 | -37.9 | 179.4 | -172.6 | 58.9 | 0 | 0 | 0 | 113.2 | P145 Y150 L151 | P145-H147 PolarHBondContact O-N 2.95Å; H147-Y150 PolarHBondContact O-N 3.41Å; H147-L151 VanDerWaalsContact O-CG 3.29Å; H147-L151 WeakPolarHBondContact O-CG 3.4Å; H147-L151 PolarHBondContact O-N 3.15Å |
| 148 | Q | 89.8 | Confident | 90.2 | Very high | 76 Ų | 76 | 34 Ų | 34 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 177.6 | -67.2 | -173.4 | 0.8 | 0 | 0 | 111.1 | F85 P145 C146 Y150 L151 R152 | F85-Q148 HydrophobicContact CZ-CB 4.36Å; P145-Q148 HydrophobicContact CB-CG 4.31Å; P145-Q148 HydrophobicContact CG-CG 4.38Å; P145-Q148 WeakPolarHBondContact O-CB 3.38Å; P145-Q148 PolarHBondContact O-N 3.34Å; C146-Q148 PolarHBondContact O-N 3.45Å; Q148-Y150 VanDerWaalsContact C-N 3.34Å; Q148-L151 PolarHBondContact O-N 3.21Å; Q148-R152 WeakPolarHBondContact O-CB 3.34Å; Q148-R152 PolarHBondContact O-N 3.49Å |
| 149 | V | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.5 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | F85 I93 I138 A139 I142 R144 P145 C146 L151 R152 A153 | F85-V149 HydrophobicContact CE1-CG2 4.35Å; I93-V149 HydrophobicContact CD1-CG1 3.83Å; I93-V149 HydrophobicContact CG1-CG1 3.69Å; I138-V149 HydrophobicContact CG1-CG1 4.39Å; A139-V149 HydrophobicContact CB-CB 4.13Å; A139-V149 HydrophobicContact CB-CG1 4.33Å; A139-V149 HydrophobicContact CB-CG2 4.03Å; I142-V149 HydrophobicContact CB-CG2 4.31Å; I142-V149 HydrophobicContact CD1-CG1 3.76Å; I142-V149 HydrophobicContact CD1-CG2 4.47Å; I142-V149 HydrophobicContact CG2-CG2 3.85Å; R144-V149 HydrophobicContact CB-CG2 4.01Å; P145-V149 PolarHBondContact O-N 3.26Å; C146-V149 PolarHBondContact O-N 3.4Å; V149-L151 PolarHBondContact O-N 3.15Å; V149-R152 WeakPolarHBondContact O-CB 3.41Å; V149-R152 PolarHBondContact O-N 3.35Å; V149-R152 VanDerWaalsContact O-N 3.11Å; V149-A153 PolarHBondContact O-N 3.24Å |
| 150 | Y | 93.4 | Very high | 88.7 | Confident | 45 Ų | 45 | 44 Ų | 44 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 175.6 | 178 | -115.1 | 0 | 0 | 0 | 112.6 | L113 F134 M135 C146 H147 Q148 R152 A153 L154 | L113-Y150 HydrophobicContact CD2-CE2 4.17Å; F134-Y150 AromaticContact CE1-CD2 3.74Å; F134-Y150 HydrophobicContact CE1-CD2 3.74Å; F134-Y150 AromaticContact CE1-CE2 3.69Å; F134-Y150 HydrophobicContact CE1-CE2 3.69Å; F134-Y150 HydrophobicContact CZ-CD2 4.45Å; F134-Y150 HydrophobicContact CZ-CE2 4.44Å; M135-Y150 HydrophobicContact CE-CD1 3.84Å; M135-Y150 HydrophobicContact CE-CE1 4.4Å; M135-Y150 HydrophobicContact CE-CG 3.98Å; M135-Y150 HydrophobicContact SD-CD1 4.25Å; M135-Y150 HydrophobicContact SD-CD2 4.06Å; M135-Y150 HydrophobicContact SD-CG 3.81Å; C146-Y150 WeakPolarHBondContact O-CB 3.48Å; C146-Y150 PolarHBondContact O-N 3.39Å; H147-Y150 PolarHBondContact O-N 3.41Å; Q148-Y150 VanDerWaalsContact C-N 3.34Å; Y150-R152 VanDerWaalsContact C-N 3.27Å; Y150-R152 PolarHBondContact O-N 3.4Å; Y150-A153 PolarHBondContact O-N 3.5Å; Y150-L154 HydrophobicContact CD1-CD1 4.16Å; Y150-L154 HydrophobicContact CE1-CD1 3.63Å; Y150-L154 HydrophobicContact CE1-CG 4.19Å; Y150-L154 HydrophobicContact CE2-CD1 4.46Å; Y150-L154 HydrophobicContact CE2-CD2 4.12Å; Y150-L154 HydrophobicContact CE2-CG 4.16Å; Y150-L154 WeakPolarHBondContact O-CG 3.47Å; Y150-L154 PolarHBondContact O-N 3.1Å |
| 151 | L | 90 | Very high | 87.7 | Confident | 50 Ų | 50 | 41.5 Ų | 41.5 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.1 | -33.6 | 175.4 | -71.5 | 178.1 | 0 | 0 | 0 | 112.5 | H147 Q148 V149 L154 K155 F197 | H147-L151 VanDerWaalsContact O-CG 3.29Å; H147-L151 WeakPolarHBondContact O-CG 3.4Å; H147-L151 PolarHBondContact O-N 3.15Å; Q148-L151 PolarHBondContact O-N 3.21Å; V149-L151 PolarHBondContact O-N 3.15Å; L151-L154 HydrophobicContact CD2-CD1 4.4Å; L151-K155 WeakPolarHBondContact O-CG 3.46Å; L151-K155 PolarHBondContact O-N 2.74Å; L151-F197 HydrophobicContact CD2-CE1 3.87Å; L151-F197 HydrophobicContact CD2-CZ 3.68Å |
| 152 | R | 90.1 | Very high | 86.7 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.5 | -47.6 | 174.9 | 177.3 | 57.6 | 174.9 | 171 | -1.6 | 110.7 | F85 N90 I93 Q148 V149 Y150 L154 K155 M156 | F85-R152 HydrophobicContact CB-CG 4.46Å; F85-R152 HydrophobicContact CD1-CB 4.3Å; F85-R152 HydrophobicContact CD1-CG 3.8Å; F85-R152 HydrophobicContact CD2-CB 4.2Å; F85-R152 HydrophobicContact CD2-CG 3.93Å; F85-R152 HydrophobicContact CE1-CB 3.91Å; F85-R152 HydrophobicContact CE1-CG 3.92Å; F85-R152 HydrophobicContact CE2-CB 3.81Å; F85-R152 HydrophobicContact CE2-CG 4.06Å; F85-R152 HydrophobicContact CG-CB 4.43Å; F85-R152 HydrophobicContact CG-CG 3.8Å; F85-R152 HydrophobicContact CZ-CB 3.65Å; F85-R152 HydrophobicContact CZ-CG 4.05Å; N90-R152 VanDerWaalsContact CG-NH2 3.32Å; N90-R152 PolarHBondContact ND2-NH2 3.3Å; N90-R152 VanDerWaalsContact OD1-CZ 3.32Å; N90-R152 PolarHBondContact OD1-NE 3.45Å; N90-R152 PolarHBondContact OD1-NH2 2.95Å; I93-R152 HydrophobicContact CD1-CB 4.14Å; I93-R152 HydrophobicContact CD1-CG 3.66Å; Q148-R152 WeakPolarHBondContact O-CB 3.34Å; Q148-R152 PolarHBondContact O-N 3.49Å; V149-R152 WeakPolarHBondContact O-CB 3.41Å; V149-R152 PolarHBondContact O-N 3.35Å; V149-R152 VanDerWaalsContact O-N 3.11Å; Y150-R152 VanDerWaalsContact C-N 3.27Å; Y150-R152 PolarHBondContact O-N 3.4Å; R152-L154 PolarHBondContact O-N 3.26Å; R152-K155 PolarHBondContact O-N 2.96Å; R152-M156 HydrophobicContact CG-CG 4.4Å; R152-M156 HydrophobicContact CG-SD 3.8Å; R152-M156 WeakPolarHBondContact O-CG 3.35Å; R152-M156 PolarHBondContact O-N 2.87Å |
| 153 | A | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57 | -47.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I93 I97 L113 I138 V149 Y150 K155 M156 F157 | I93-A153 HydrophobicContact CG2-CB 3.83Å; I97-A153 HydrophobicContact CD1-CB 4.07Å; L113-A153 HydrophobicContact CD1-CB 4.43Å; L113-A153 HydrophobicContact CD2-CB 4.43Å; I138-A153 HydrophobicContact CD1-CB 3.56Å; V149-A153 PolarHBondContact O-N 3.24Å; Y150-A153 PolarHBondContact O-N 3.5Å; A153-K155 PolarHBondContact O-N 3.42Å; A153-K155 VanDerWaalsContact O-N 3.13Å; A153-M156 PolarHBondContact O-N 3.43Å; A153-M156 VanDerWaalsContact O-N 3.08Å; A153-F157 WeakPolarHBondContact O-CD2 3.28Å; A153-F157 PolarHBondContact O-N 2.83Å; A153-F157 VanDerWaalsContact O-N 3.08Å |
| 154 | L | 89.6 | Confident | 85 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.9 | -32.6 | 175.6 | -70 | 179.9 | 0 | 0 | 0 | 113 | L113 F114 Y150 L151 R152 D158 F197 | L113-L154 HydrophobicContact CB-CD2 4Å; L113-L154 HydrophobicContact CD2-CD2 4.38Å; L113-L154 WeakPolarHBondContact O-CD2 3.49Å; F114-L154 HydrophobicContact CD1-CD2 4.33Å; F114-L154 HydrophobicContact CE1-CD2 3.79Å; F114-L154 HydrophobicContact CZ-CD2 4.13Å; F114-L154 WeakPolarHBondContact CZ-O 3.28Å; Y150-L154 HydrophobicContact CD1-CD1 4.16Å; Y150-L154 HydrophobicContact CE1-CD1 3.63Å; Y150-L154 HydrophobicContact CE1-CG 4.19Å; Y150-L154 HydrophobicContact CE2-CD1 4.46Å; Y150-L154 HydrophobicContact CE2-CD2 4.12Å; Y150-L154 HydrophobicContact CE2-CG 4.16Å; Y150-L154 WeakPolarHBondContact O-CG 3.47Å; Y150-L154 PolarHBondContact O-N 3.1Å; L151-L154 HydrophobicContact CD2-CD1 4.4Å; R152-L154 PolarHBondContact O-N 3.26Å; L154-D158 WeakPolarHBondContact O-CB 3.47Å; L154-D158 PolarHBondContact O-N 3.43Å; L154-F197 HydrophobicContact CB-CE2 3.88Å; L154-F197 HydrophobicContact CB-CZ 4.4Å; L154-F197 HydrophobicContact CD1-CE2 4.15Å; L154-F197 HydrophobicContact CD1-CZ 4.06Å |
| 155 | K | 84.6 | Confident | 84.2 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 34% | 0.339 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -82.1 | -30.4 | 178.4 | -70 | 171.8 | -175.4 | 175.1 | 0 | 113.3 | L151 R152 A153 N161 H162 F197 | L151-K155 WeakPolarHBondContact O-CG 3.46Å; L151-K155 PolarHBondContact O-N 2.74Å; R152-K155 PolarHBondContact O-N 2.96Å; A153-K155 PolarHBondContact O-N 3.42Å; A153-K155 VanDerWaalsContact O-N 3.13Å; K155-N161 PolarHBondContact O-ND2 2.77Å; K155-H162 PolarHBondContact O-NE2 3.05Å; K155-F197 HydrophobicContact CG-CB 4.45Å; K155-F197 HydrophobicContact CG-CD2 3.9Å; K155-F197 HydrophobicContact CG-CE2 4.34Å; K155-F197 HydrophobicContact CG-CG 4.13Å |
| 156 | M | 84.4 | Confident | 83.5 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.2 | -35 | -179 | -74.4 | 173.2 | 58.1 | 0 | 0 | 112.4 | N90 I93 R94 R152 A153 | N90-M156 HydrophobicContact CB-CE 3.86Å; N90-M156 HydrophobicContact CB-SD 4.16Å; N90-M156 WeakPolarHBondContact O-CE 3.42Å; N90-M156 PolarHBondContact OD1-SD 3.12Å; I93-M156 HydrophobicContact CD1-SD 4.29Å; I93-M156 HydrophobicContact CG2-SD 4.41Å; R94-M156 HydrophobicContact CG-CE 4.16Å; R152-M156 HydrophobicContact CG-CG 4.4Å; R152-M156 HydrophobicContact CG-SD 3.8Å; R152-M156 WeakPolarHBondContact O-CG 3.35Å; R152-M156 PolarHBondContact O-N 2.87Å; A153-M156 PolarHBondContact O-N 3.43Å; A153-M156 VanDerWaalsContact O-N 3.08Å |
| 157 | F | 84.8 | Confident | 83 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 25% | 0.254 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -107.6 | 6.6 | -173.7 | -66.9 | -81.8 | 0 | 0 | 0 | 113.5 | I93 R94 I97 V109 L113 F114 A153 | I93-F157 HydrophobicContact CG2-CE2 4.37Å; R94-F157 HydrophobicContact CB-CZ 4.47Å; R94-F157 HydrophobicContact CG-CZ 3.93Å; I97-F157 HydrophobicContact CD1-CD2 3.84Å; I97-F157 HydrophobicContact CD1-CE2 3.27Å; I97-F157 HydrophobicContact CD1-CZ 3.84Å; V109-F157 HydrophobicContact CB-CD1 4.36Å; V109-F157 HydrophobicContact CG1-CB 3.97Å; V109-F157 HydrophobicContact CG1-CD1 3.54Å; V109-F157 HydrophobicContact CG1-CD2 4.26Å; V109-F157 HydrophobicContact CG1-CE1 3.97Å; V109-F157 HydrophobicContact CG1-CG 3.67Å; V109-F157 HydrophobicContact CG1-CZ 4.5Å; V109-F157 HydrophobicContact CG2-CE1 4.39Å; L113-F157 HydrophobicContact CD1-CB 3.55Å; L113-F157 HydrophobicContact CD1-CD2 3.72Å; L113-F157 HydrophobicContact CD1-CG 3.86Å; F114-F157 WeakPolarHBondContact CE2-O 3.34Å; A153-F157 WeakPolarHBondContact O-CD2 3.28Å; A153-F157 PolarHBondContact O-N 2.83Å; A153-F157 VanDerWaalsContact O-N 3.08Å |
| 158 | D | 82 | Confident | 82.5 | Confident | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | trans | -92.1 | 104.8 | 170.6 | -167.9 | 10.5 | 0 | 0 | 0 | 109.5 | F114 R117 L154 K160 N161 S195 | F114-D158 HydrophobicContact CE1-CB 4.1Å; F114-D158 HydrophobicContact CE2-CB 4.32Å; F114-D158 HydrophobicContact CZ-CB 3.57Å; R117-D158 IonicContact CZ-OD1 3.36Å; R117-D158 IonicContact NH1-OD1 3.73Å; R117-D158 IonicContact NH2-OD1 2.84Å; R117-D158 PolarHBondContact NH2-OD1 3.08Å; L154-D158 WeakPolarHBondContact O-CB 3.47Å; L154-D158 PolarHBondContact O-N 3.43Å; D158-K160 PolarHBondContact O-N 3.29Å; D158-K160 WeakPolarHBondContact OD1-CB 3.24Å; D158-K160 PolarHBondContact OD1-N 3.35Å; D158-N161 HydrophobicContact CB-CB 4.01Å; D158-N161 VanDerWaalsContact O-CB 3.22Å; D158-N161 WeakPolarHBondContact O-CB 3.47Å; D158-N161 PolarHBondContact O-N 3.49Å; D158-S195 WeakPolarHBondContact OD2-CB 3.44Å; D158-S195 PolarHBondContact OD2-OG 3.45Å | ||
| 159 | E | 77.8 | Confident | 82.3 | Confident | 157 Ų | 157 | 70.7 Ų | 70.7 | 73% | 0.734 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -54 | -36.6 | 174.6 | -63.8 | 175.6 | 179.8 | 0 | 0 | 111.2 | N161 H162 | E159-N161 PolarHBondContact O-N 3.34Å; E159-H162 PolarHBondContact O-N 3.23Å; E159-H162 VanDerWaalsContact O-N 3.13Å |
| 160 | K | 80.3 | Confident | 82 | Confident | 55 Ų | 55 | 73 Ų | 73 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -68.5 | -7.9 | 179.7 | -52 | -171 | -177.6 | -167.9 | 0 | 113.7 | D158 M163 D193 S195 | D158-K160 PolarHBondContact O-N 3.29Å; D158-K160 WeakPolarHBondContact OD1-CB 3.24Å; D158-K160 PolarHBondContact OD1-N 3.35Å; K160-M163 WeakPolarHBondContact O-CG 3.35Å; K160-D193 WeakPolarHBondContact CE-OD1 3.46Å; K160-D193 IonicContact NZ-OD1 2.85Å; K160-D193 PolarHBondContact NZ-OD1 2.88Å; K160-S195 WeakPolarHBondContact O-CB 3.34Å; K160-S195 PolarHBondContact O-N 3.15Å |
| 161 | N | 72.9 | Confident | 81.6 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -84.9 | -18.8 | 177.1 | -174.4 | 57.5 | 0 | 0 | 0 | 112.1 | K155 D158 E159 | K155-N161 PolarHBondContact O-ND2 2.77Å; D158-N161 HydrophobicContact CB-CB 4.01Å; D158-N161 VanDerWaalsContact O-CB 3.22Å; D158-N161 WeakPolarHBondContact O-CB 3.47Å; D158-N161 PolarHBondContact O-N 3.49Å; E159-N161 PolarHBondContact O-N 3.34Å |
| 162 | H | 70 | Confident | 81.4 | Confident | 132 Ų | 132 | 70.6 Ų | 70.6 | 61% | 0.611 | 34% | 0.343 | S | S | * | . | trans | -105.6 | 20.9 | -174.2 | -63.4 | -71.2 | 0 | 0 | 0 | 114.2 | K155 E159 G164 | K155-H162 PolarHBondContact O-NE2 3.05Å; E159-H162 PolarHBondContact O-N 3.23Å; E159-H162 VanDerWaalsContact O-N 3.13Å; H162-G164 PolarHBondContact O-N 2.98Å | ||
| 163 | M | 72.1 | Confident | 81.4 | Confident | 101 Ų | 101 | 67.5 Ų | 67.5 | 50% | 0.498 | 33% | 0.334 | S | S | . | . | trans | -71.8 | 10.8 | -177.4 | -59.7 | -65.9 | -78.8 | 0 | 0 | 115.5 | K160 R194 | K160-M163 WeakPolarHBondContact O-CG 3.35Å; M163-R194 PolarHBondContact O-NH2 3.17Å | ||
| 164 | G | 73.4 | Confident | 81.3 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 58% | 0.577 | 33% | 0.334 | S | S | * | . | trans | 69.1 | -153.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H162 R194 | H162-G164 PolarHBondContact O-N 2.98Å; G164-R194 PolarHBondContact O-NH1 3.41Å; G164-R194 VanDerWaalsContact O-NH1 3.11Å | ||
| 165 | R | 74.6 | Confident | 81.1 | Confident | 238 Ų | 238 | 69.7 Ų | 69.7 | 90% | 0.898 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -64.9 | 153.7 | -175.9 | -66.6 | -176.3 | -179.5 | -178.3 | 1.5 | 111 | R194 | R165-R194 PolarHBondContact O-NH2 3.48Š|
| 166 | F | 77.1 | Confident | 81.3 | Confident | 34 Ų | 34 | 72.7 Ų | 72.7 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 132.3 | 173 | -77.3 | -98.8 | 0 | 0 | 0 | 109.4 | E170 L171 R194 S198 L199 R202 | F166-E170 VanDerWaalsContact CA-OE2 3.24Å; F166-E170 WeakPolarHBondContact CA-OE2 3.32Å; F166-E170 HydrophobicContact CD1-CB 4.07Å; F166-L171 HydrophobicContact CB-CD2 3.62Å; F166-L171 HydrophobicContact CB-CG 4.05Å; F166-L171 HydrophobicContact CD1-CD2 4.26Å; F166-L171 HydrophobicContact CG-CD2 4.08Å; F166-R194 VanDerWaalsContact CE1-CD 3.49Å; F166-S198 WeakPolarHBondContact CE2-OG 3.49Å; F166-S198 WeakPolarHBondContact CZ-OG 3.46Å; F166-L199 HydrophobicContact CE1-CD2 3.75Å; F166-L199 HydrophobicContact CZ-CD2 4.08Å; F166-R202 HydrophobicContact CD1-CG 4.26Å; F166-R202 HydrophobicContact CD2-CB 4.19Å; F166-R202 HydrophobicContact CD2-CG 3.77Å; F166-R202 HydrophobicContact CE1-CB 4.41Å; F166-R202 HydrophobicContact CE1-CG 4.27Å; F166-R202 HydrophobicContact CE2-CB 3.67Å; F166-R202 HydrophobicContact CE2-CG 3.78Å; F166-R202 HydrophobicContact CG-CG 4.02Å; F166-R202 HydrophobicContact CZ-CB 3.79Å; F166-R202 HydrophobicContact CZ-CG 4.03Å |
| 167 | S | 82.3 | Confident | 81.6 | Confident | 45 Ų | 45 | 73 Ų | 73 | 32% | 0.315 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 160.8 | 169.9 | 86.6 | 0 | 0 | 0 | 0 | 111.1 | E169 E170 L171 | S167-E169 WeakPolarHBondContact CB-OE2 3.33Å; S167-E169 PolarHBondContact O-N 3.13Å; S167-E169 PolarHBondContact OG-N 3.26Å; S167-E169 PolarHBondContact OG-OE2 2.87Å; S167-E170 PolarHBondContact N-OE2 2.85Å; S167-E170 WeakPolarHBondContact O-CB 3.5Å; S167-E170 PolarHBondContact O-N 3.47Å; S167-E170 VanDerWaalsContact O-N 3.14Å; S167-E170 WeakPolarHBondContact OG-CG 3.41Å; S167-E170 PolarHBondContact OG-N 3.01Å; S167-L171 VanDerWaalsContact O-CG 3.29Å; S167-L171 WeakPolarHBondContact O-CG 3.35Å; S167-L171 PolarHBondContact O-N 3.32Å |
| 168 | E | 79.9 | Confident | 81.9 | Confident | 125 Ų | 125 | 71.7 Ų | 71.7 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.5 | -35.4 | 178 | -68.4 | -60.8 | 150.6 | 0 | 0 | 111.8 | L171 A172 | E168-L171 PolarHBondContact O-N 3.47Å; E168-A172 WeakPolarHBondContact O-CB 3.4Å; E168-A172 PolarHBondContact O-N 2.86Å |
| 169 | E | 85.4 | Confident | 82.1 | Confident | 133 Ų | 133 | 77.2 Ų | 77.2 | 62% | 0.621 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 175.7 | -54.5 | 75 | -160.2 | 0 | 0 | 111.6 | S167 L171 A172 A173 | S167-E169 WeakPolarHBondContact CB-OE2 3.33Å; S167-E169 PolarHBondContact O-N 3.13Å; S167-E169 PolarHBondContact OG-N 3.26Å; S167-E169 PolarHBondContact OG-OE2 2.87Å; E169-L171 VanDerWaalsContact C-N 3.33Å; E169-A172 PolarHBondContact O-N 3.41Å; E169-A173 VanDerWaalsContact O-CB 3.31Å; E169-A173 WeakPolarHBondContact O-CB 3.4Å; E169-A173 PolarHBondContact O-N 3.18Å |
| 170 | E | 86.3 | Confident | 82.7 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 22% | 0.22 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 175.7 | -69.2 | 177.4 | 129.4 | 0 | 0 | 111.5 | F166 S167 A173 L174 M192 R194 | F166-E170 VanDerWaalsContact CA-OE2 3.24Å; F166-E170 WeakPolarHBondContact CA-OE2 3.32Å; F166-E170 HydrophobicContact CD1-CB 4.07Å; S167-E170 PolarHBondContact N-OE2 2.85Å; S167-E170 WeakPolarHBondContact O-CB 3.5Å; S167-E170 PolarHBondContact O-N 3.47Å; S167-E170 VanDerWaalsContact O-N 3.14Å; S167-E170 WeakPolarHBondContact OG-CG 3.41Å; S167-E170 PolarHBondContact OG-N 3.01Å; E170-A173 PolarHBondContact O-N 3.08Å; E170-L174 WeakPolarHBondContact O-CB 3.17Å; E170-L174 PolarHBondContact O-N 3.46Å; E170-M192 HydrophobicContact CB-CE 4.17Å; E170-M192 WeakPolarHBondContact O-CE 3.22Å; E170-R194 IonicContact OE1-CZ 3.21Å; E170-R194 IonicContact OE1-NE 3.46Å; E170-R194 PolarHBondContact OE1-NE 2.68Å; E170-R194 IonicContact OE1-NH2 3.46Å; E170-R194 PolarHBondContact OE1-NH2 3.49Å; E170-R194 IonicContact OE2-CZ 2.73Å; E170-R194 IonicContact OE2-NE 2.85Å; E170-R194 IonicContact OE2-NH2 3.54Å; E170-R194 PolarHBondContact OE2-NH2 2.84Å |
| 171 | L | 85.5 | Confident | 83.1 | Confident | 6 Ų | 6 | 77 Ų | 77 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.3 | -46 | 175.6 | -61.4 | 173.8 | 0 | 0 | 0 | 111.4 | F166 S167 E168 E169 A173 L174 I175 R202 L206 | F166-L171 HydrophobicContact CB-CD2 3.62Å; F166-L171 HydrophobicContact CB-CG 4.05Å; F166-L171 HydrophobicContact CD1-CD2 4.26Å; F166-L171 HydrophobicContact CG-CD2 4.08Å; S167-L171 VanDerWaalsContact O-CG 3.29Å; S167-L171 WeakPolarHBondContact O-CG 3.35Å; S167-L171 PolarHBondContact O-N 3.32Å; E168-L171 PolarHBondContact O-N 3.47Å; E169-L171 VanDerWaalsContact C-N 3.33Å; L171-A173 VanDerWaalsContact C-N 3.3Å; L171-A173 PolarHBondContact O-N 3.02Å; L171-L174 WeakPolarHBondContact O-CB 3.39Å; L171-L174 PolarHBondContact O-N 2.78Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.13Å; L171-R202 HydrophobicContact CD2-CG 3.92Å; L171-L206 HydrophobicContact CD2-CD1 3.9Å; L171-L206 HydrophobicContact CD2-CD2 4.16Å |
| 172 | A | 85.9 | Confident | 83.8 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | E168 E169 I175 R176 | E168-A172 WeakPolarHBondContact O-CB 3.4Å; E168-A172 PolarHBondContact O-N 2.86Å; E169-A172 PolarHBondContact O-N 3.41Å; A172-I175 PolarHBondContact O-N 2.98Å; A172-R176 WeakPolarHBondContact O-CB 3.34Å; A172-R176 VanDerWaalsContact O-CG 3.26Å; A172-R176 WeakPolarHBondContact O-CG 3.35Å; A172-R176 PolarHBondContact O-N 3.31Å |
| 173 | A | 88.9 | Confident | 84.6 | Confident | 13 Ų | 13 | 75.9 Ų | 75.9 | 11% | 0.107 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E169 E170 L171 R176 F177 M192 | E169-A173 VanDerWaalsContact O-CB 3.31Å; E169-A173 WeakPolarHBondContact O-CB 3.4Å; E169-A173 PolarHBondContact O-N 3.18Å; E170-A173 PolarHBondContact O-N 3.08Å; L171-A173 VanDerWaalsContact C-N 3.3Å; L171-A173 PolarHBondContact O-N 3.02Å; A173-R176 PolarHBondContact O-N 3.07Å; A173-F177 HydrophobicContact CB-CD2 4.32Å; A173-F177 HydrophobicContact CB-CE2 4.08Å; A173-F177 WeakPolarHBondContact O-CB 3.18Å; A173-F177 WeakPolarHBondContact O-CD2 3.47Å; A173-F177 VanDerWaalsContact O-CG 3.3Å; A173-F177 WeakPolarHBondContact O-CG 3.31Å; A173-F177 PolarHBondContact O-N 3.13Å; A173-M192 HydrophobicContact CB-CE 4.35Å |
| 174 | L | 88.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 177.4 | 178.9 | 52.2 | 0 | 0 | 0 | 111.9 | E170 L171 F177 H178 W185 I188 M192 L199 R202 F203 L206 | E170-L174 WeakPolarHBondContact O-CB 3.17Å; E170-L174 PolarHBondContact O-N 3.46Å; L171-L174 WeakPolarHBondContact O-CB 3.39Å; L171-L174 PolarHBondContact O-N 2.78Å; L174-F177 PolarHBondContact O-N 3.38Å; L174-H178 VanDerWaalsContact O-CB 3.32Å; L174-H178 WeakPolarHBondContact O-CB 3.45Å; L174-H178 PolarHBondContact O-N 3.05Å; L174-W185 HydrophobicContact CD1-CZ3 4.18Å; L174-I188 HydrophobicContact CD1-CG2 4.07Å; L174-M192 HydrophobicContact CB-CE 3.84Å; L174-M192 HydrophobicContact CB-SD 3.8Å; L174-M192 HydrophobicContact CD1-SD 3.89Å; L174-M192 HydrophobicContact CG-SD 4.42Å; L174-L199 HydrophobicContact CD1-CB 4.33Å; L174-L199 HydrophobicContact CD1-CD2 4.05Å; L174-L199 HydrophobicContact CD2-CD2 4.39Å; L174-R202 HydrophobicContact CD2-CB 4.24Å; L174-R202 HydrophobicContact CD2-CG 4.04Å; L174-F203 HydrophobicContact CD2-CB 4.28Å; L174-F203 HydrophobicContact CG-CD2 4.2Å; L174-L206 HydrophobicContact CD2-CD1 3.78Å |
| 175 | I | 86.2 | Confident | 86.2 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 33% | 0.328 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 177.7 | -65.5 | 167.2 | 0 | 0 | 0 | 110.1 | L171 A172 F177 H178 N179 | L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.13Å; A172-I175 PolarHBondContact O-N 2.98Å; I175-F177 PolarHBondContact O-N 2.9Å; I175-H178 PolarHBondContact O-N 3.38Å; I175-N179 WeakPolarHBondContact O-CB 3.43Å; I175-N179 VanDerWaalsContact O-CG 3.24Å; I175-N179 PolarHBondContact O-N 3.3Å; I175-N179 PolarHBondContact O-ND2 2.97Å |
| 176 | R | 89.4 | Confident | 86.8 | Confident | 141 Ų | 141 | 69.5 Ų | 69.5 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 177.1 | -72.9 | -174.8 | -50.9 | -122.8 | 2.9 | 112.1 | A172 A173 N179 L180 | A172-R176 WeakPolarHBondContact O-CB 3.34Å; A172-R176 VanDerWaalsContact O-CG 3.26Å; A172-R176 WeakPolarHBondContact O-CG 3.35Å; A172-R176 PolarHBondContact O-N 3.31Å; A173-R176 PolarHBondContact O-N 3.07Å; R176-N179 PolarHBondContact O-N 3.18Å; R176-L180 WeakPolarHBondContact O-CG 3.26Å; R176-L180 PolarHBondContact O-N 2.63Å |
| 177 | F | 90.7 | Very high | 87.4 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 19% | 0.193 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.7 | -34.1 | -178.3 | -68.9 | -40.1 | 0 | 0 | 0 | 112.9 | A173 L174 I175 L180 Y181 I188 K191 M192 | A173-F177 HydrophobicContact CB-CD2 4.32Å; A173-F177 HydrophobicContact CB-CE2 4.08Å; A173-F177 WeakPolarHBondContact O-CB 3.18Å; A173-F177 WeakPolarHBondContact O-CD2 3.47Å; A173-F177 VanDerWaalsContact O-CG 3.3Å; A173-F177 WeakPolarHBondContact O-CG 3.31Å; A173-F177 PolarHBondContact O-N 3.13Å; L174-F177 PolarHBondContact O-N 3.38Å; I175-F177 PolarHBondContact O-N 2.9Å; F177-L180 PolarHBondContact O-N 3.39Å; F177-Y181 HydrophobicContact CB-CD2 4.18Å; F177-Y181 HydrophobicContact CB-CE2 4.45Å; F177-Y181 HydrophobicContact CD1-CD2 4.32Å; F177-Y181 AromaticContact CD1-CE2 3.74Å; F177-Y181 HydrophobicContact CD1-CE2 3.74Å; F177-Y181 HydrophobicContact CE1-CE2 4.46Å; F177-Y181 HydrophobicContact CG-CE2 4.43Å; F177-Y181 WeakPolarHBondContact O-CB 3.5Å; F177-Y181 VanDerWaalsContact O-CD2 3.28Å; F177-Y181 WeakPolarHBondContact O-CD2 3.46Å; F177-Y181 PolarHBondContact O-N 3.07Å; F177-I188 HydrophobicContact CB-CG1 4.11Å; F177-I188 HydrophobicContact CB-CG2 3.93Å; F177-I188 HydrophobicContact CD2-CG2 4.46Å; F177-K191 HydrophobicContact CD1-CD 4.07Å; F177-K191 HydrophobicContact CD2-CB 4.3Å; F177-K191 HydrophobicContact CE1-CB 4.43Å; F177-K191 HydrophobicContact CE1-CD 3.86Å; F177-K191 HydrophobicContact CE2-CB 3.89Å; F177-K191 HydrophobicContact CZ-CB 3.97Å; F177-K191 HydrophobicContact CZ-CD 4.21Å; F177-M192 HydrophobicContact CD2-CG 3.58Å; F177-M192 HydrophobicContact CD2-SD 4.09Å; F177-M192 HydrophobicContact CE2-CG 3.72Å |
| 178 | H | 89.5 | Confident | 87.8 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 172.4 | -174.6 | -87.4 | 0 | 0 | 0 | 111.5 | L174 I175 L180 G182 N183 W185 I188 F203 | L174-H178 VanDerWaalsContact O-CB 3.32Å; L174-H178 WeakPolarHBondContact O-CB 3.45Å; L174-H178 PolarHBondContact O-N 3.05Å; I175-H178 PolarHBondContact O-N 3.38Å; H178-L180 VanDerWaalsContact C-N 3.29Å; H178-L180 PolarHBondContact O-N 3Å; H178-G182 PolarHBondContact CD2-O 3.13Å; H178-G182 WeakPolarHBondContact O-CA 3.32Å; H178-G182 PolarHBondContact O-N 2.96Å; H178-N183 PolarHBondContact NE2-OD1 3.31Å; H178-W185 AromaticContact CD2-CH2 3.55Å; H178-W185 AromaticContact CD2-CZ2 3.88Å; H178-I188 HydrophobicContact CB-CD1 4.35Å; H178-F203 HydrophobicContact CB-CD2 4.25Å; H178-F203 HydrophobicContact CB-CE2 3.68Å; H178-F203 HydrophobicContact CB-CZ 4.13Å; H178-F203 AromaticContact CD2-CE1 3.84Å; H178-F203 AromaticContact CD2-CE2 3.94Å; H178-F203 AromaticContact CD2-CZ 3.67Å; H178-F203 AromaticContact CE1-CE1 3.62Å; H178-F203 AromaticContact CE1-CZ 3.33Å; H178-F203 WeakPolarHBondContact CE1-CZ 3.4Å; H178-F203 AromaticContact CG-CE2 3.44Å; H178-F203 VanDerWaalsContact CG-CE2 3.44Å; H178-F203 AromaticContact CG-CZ 3.37Å; H178-F203 AromaticContact ND1-CE1 3.92Å; H178-F203 AromaticContact ND1-CE2 3.64Å; H178-F203 AromaticContact ND1-CZ 3.16Å; H178-F203 WeakPolarHBondContact ND1-CZ 3.19Å; H178-F203 AromaticContact NE2-CE1 3.57Å; H178-F203 AromaticContact NE2-CZ 3.63Å |
| 179 | N | 86.8 | Confident | 88.3 | Confident | 123 Ų | 123 | 62.9 Ų | 62.9 | 66% | 0.658 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.8 | -35.7 | 175.1 | -70.4 | -16.4 | 0 | 0 | 0 | 112.7 | I175 R176 | I175-N179 WeakPolarHBondContact O-CB 3.43Å; I175-N179 VanDerWaalsContact O-CG 3.24Å; I175-N179 PolarHBondContact O-N 3.3Å; I175-N179 PolarHBondContact O-ND2 2.97Å; R176-N179 PolarHBondContact O-N 3.18Å |
| 180 | L | 90.2 | Very high | 88.4 | Confident | 120 Ų | 120 | 63 Ų | 63 | 63% | 0.628 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -79.6 | -40.5 | -179.4 | -71.6 | 170.3 | 0 | 0 | 0 | 113.9 | R176 F177 H178 | R176-L180 WeakPolarHBondContact O-CG 3.26Å; R176-L180 PolarHBondContact O-N 2.63Å; F177-L180 PolarHBondContact O-N 3.39Å; H178-L180 VanDerWaalsContact C-N 3.29Å; H178-L180 PolarHBondContact O-N 3Å |
| 181 | Y | 89.8 | Confident | 88.6 | Confident | 87 Ų | 87 | 65.6 Ų | 65.6 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -115.5 | -0.7 | -169.1 | -53.1 | -57.6 | 0 | 0 | 0 | 113.9 | F177 N184 L187 I188 K191 | F177-Y181 HydrophobicContact CB-CD2 4.18Å; F177-Y181 HydrophobicContact CB-CE2 4.45Å; F177-Y181 HydrophobicContact CD1-CD2 4.32Å; F177-Y181 AromaticContact CD1-CE2 3.74Å; F177-Y181 HydrophobicContact CD1-CE2 3.74Å; F177-Y181 HydrophobicContact CE1-CE2 4.46Å; F177-Y181 HydrophobicContact CG-CE2 4.43Å; F177-Y181 WeakPolarHBondContact O-CB 3.5Å; F177-Y181 VanDerWaalsContact O-CD2 3.28Å; F177-Y181 WeakPolarHBondContact O-CD2 3.46Å; F177-Y181 PolarHBondContact O-N 3.07Å; Y181-N184 WeakPolarHBondContact O-CB 3.33Å; Y181-N184 PolarHBondContact O-N 2.79Å; Y181-L187 HydrophobicContact CD1-CD2 3.59Å; Y181-L187 HydrophobicContact CD2-CD2 4.07Å; Y181-L187 HydrophobicContact CD2-CG 4.42Å; Y181-L187 HydrophobicContact CE1-CD2 3.96Å; Y181-L187 HydrophobicContact CE2-CD2 4.39Å; Y181-L187 HydrophobicContact CG-CD2 3.66Å; Y181-L187 HydrophobicContact CG-CG 4.44Å; Y181-I188 HydrophobicContact CD2-CG1 4.47Å; Y181-K191 HydrophobicContact CD2-CD 4.44Å; Y181-K191 HydrophobicContact CE2-CD 3.58Å; Y181-K191 VanDerWaalsContact OH-CE 3.26Å; Y181-K191 WeakPolarHBondContact OH-CE 3.39Å |
| 182 | G | 87 | Confident | 88.7 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -142.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H178 N184 I188 | H178-G182 PolarHBondContact CD2-O 3.13Å; H178-G182 WeakPolarHBondContact O-CA 3.32Å; H178-G182 PolarHBondContact O-N 2.96Å; G182-N184 PolarHBondContact O-N 3.06Å; G182-I188 WeakPolarHBondContact O-CD1 3.45Å |
| 183 | N | 87.3 | Confident | 88.8 | Confident | 118 Ų | 118 | 68.8 Ų | 68.8 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 23.4 | -179.7 | -66.2 | -31.6 | 0 | 0 | 0 | 114 | H178 W185 | H178-N183 PolarHBondContact NE2-OD1 3.31Å; N183-W185 PolarHBondContact O-N 2.64Å; N183-W185 PolarHBondContact O-NE1 3.17Å |
| 184 | N | 89.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 68.7 Ų | 68.7 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | trans | -80 | 67.4 | 176.4 | -166.3 | -7.7 | 0 | 0 | 0 | 111.5 | Y181 G182 K186 L187 I188 | Y181-N184 WeakPolarHBondContact O-CB 3.33Å; Y181-N184 PolarHBondContact O-N 2.79Å; G182-N184 PolarHBondContact O-N 3.06Å; N184-K186 PolarHBondContact O-N 2.65Å; N184-K186 VanDerWaalsContact O-N 3.11Å; N184-L187 HydrophobicContact CB-CB 4.4Å; N184-L187 PolarHBondContact O-N 3.2Å; N184-I188 WeakPolarHBondContact O-CG1 3.45Å; N184-I188 PolarHBondContact O-N 3.36Å; N184-I188 VanDerWaalsContact O-N 3.14Å | ||
| 185 | W | 89.2 | Confident | 88.5 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -25.5 | -174.1 | -57.8 | 103.7 | 0 | 0 | 0 | 114.4 | L174 H178 N183 I188 S189 I196 L199 Q200 F203 | L174-W185 HydrophobicContact CD1-CZ3 4.18Å; H178-W185 AromaticContact CD2-CH2 3.55Å; H178-W185 AromaticContact CD2-CZ2 3.88Å; N183-W185 PolarHBondContact O-N 2.64Å; N183-W185 PolarHBondContact O-NE1 3.17Å; W185-I188 HydrophobicContact CE3-CD1 4.19Å; W185-I188 HydrophobicContact CZ3-CD1 4.31Å; W185-S189 WeakPolarHBondContact O-CB 3.42Å; W185-S189 PolarHBondContact O-N 3.32Å; W185-I196 HydrophobicContact CB-CG2 3.8Å; W185-L199 HydrophobicContact CE3-CB 4.24Å; W185-L199 HydrophobicContact CZ3-CB 4.42Å; W185-Q200 HydrophobicContact CB-CG 4.32Å; W185-Q200 HydrophobicContact CD2-CG 3.44Å; W185-Q200 VanDerWaalsContact CD2-CG 3.44Å; W185-Q200 HydrophobicContact CE3-CG 3.93Å; W185-Q200 HydrophobicContact CG-CG 3.6Å; W185-Q200 HydrophobicContact CZ2-CG 4.3Å; W185-F203 HydrophobicContact CH2-CB 3.55Å; W185-F203 AromaticContact CH2-CD1 3.61Å; W185-F203 HydrophobicContact CH2-CD1 3.61Å; W185-F203 HydrophobicContact CH2-CD2 4.25Å; W185-F203 HydrophobicContact CH2-CE1 4.37Å; W185-F203 AromaticContact CH2-CG 3.53Å; W185-F203 HydrophobicContact CH2-CG 3.53Å; W185-F203 HydrophobicContact CZ2-CD1 4.15Å; W185-F203 HydrophobicContact CZ2-CG 4.49Å; W185-F203 HydrophobicContact CZ3-CB 3.99Å; W185-F203 HydrophobicContact CZ3-CG 4.27Å |
| 186 | K | 88.3 | Confident | 88.6 | Confident | 147 Ų | 147 | 67.8 Ų | 67.8 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.4 | -46.7 | 175.2 | -69.2 | -179.4 | -179.9 | 178.5 | 0 | 111 | N184 Q190 I196 | N184-K186 PolarHBondContact O-N 2.65Å; N184-K186 VanDerWaalsContact O-N 3.11Å; K186-Q190 WeakPolarHBondContact O-CG 3.39Å; K186-Q190 PolarHBondContact O-N 3.03Å; K186-Q190 VanDerWaalsContact O-N 3.1Å; K186-I196 HydrophobicContact CB-CD1 4.49Å; K186-I196 HydrophobicContact CG-CD1 3.85Å |
| 187 | L | 89.1 | Confident | 88.2 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 178.6 | -179.4 | 61 | 0 | 0 | 0 | 111.4 | Y181 N184 S189 Q190 K191 | Y181-L187 HydrophobicContact CD1-CD2 3.59Å; Y181-L187 HydrophobicContact CD2-CD2 4.07Å; Y181-L187 HydrophobicContact CD2-CG 4.42Å; Y181-L187 HydrophobicContact CE1-CD2 3.96Å; Y181-L187 HydrophobicContact CE2-CD2 4.39Å; Y181-L187 HydrophobicContact CG-CD2 3.66Å; Y181-L187 HydrophobicContact CG-CG 4.44Å; N184-L187 HydrophobicContact CB-CB 4.4Å; N184-L187 PolarHBondContact O-N 3.2Å; L187-S189 VanDerWaalsContact C-N 3.34Å; L187-Q190 PolarHBondContact O-N 3.04Å; L187-K191 PolarHBondContact O-N 3.29Å |
| 188 | I | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.7 | -57 | 175.2 | 0 | 0 | 0 | 110.3 | L174 F177 H178 Y181 G182 N184 W185 Q190 K191 M192 L199 | L174-I188 HydrophobicContact CD1-CG2 4.07Å; F177-I188 HydrophobicContact CB-CG1 4.11Å; F177-I188 HydrophobicContact CB-CG2 3.93Å; F177-I188 HydrophobicContact CD2-CG2 4.46Å; H178-I188 HydrophobicContact CB-CD1 4.35Å; Y181-I188 HydrophobicContact CD2-CG1 4.47Å; G182-I188 WeakPolarHBondContact O-CD1 3.45Å; N184-I188 WeakPolarHBondContact O-CG1 3.45Å; N184-I188 PolarHBondContact O-N 3.36Å; N184-I188 VanDerWaalsContact O-N 3.14Å; W185-I188 HydrophobicContact CE3-CD1 4.19Å; W185-I188 HydrophobicContact CZ3-CD1 4.31Å; I188-Q190 VanDerWaalsContact C-N 3.33Å; I188-Q190 PolarHBondContact O-N 3.35Å; I188-K191 PolarHBondContact O-N 2.99Å; I188-K191 VanDerWaalsContact O-N 3.14Å; I188-M192 HydrophobicContact CG2-CG 4.2Å; I188-M192 HydrophobicContact CG2-SD 3.8Å; I188-M192 WeakPolarHBondContact O-CB 3.29Å; I188-M192 PolarHBondContact O-N 3.28Å; I188-L199 HydrophobicContact CG2-CD1 4.03Å |
| 189 | S | 89.7 | Confident | 87.6 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 112.8 | W185 L187 D193 R194 I196 | W185-S189 WeakPolarHBondContact O-CB 3.42Å; W185-S189 PolarHBondContact O-N 3.32Å; L187-S189 VanDerWaalsContact C-N 3.34Å; S189-D193 WeakPolarHBondContact O-CA 3.06Å; S189-D193 PolarHBondContact O-N 3.24Å; S189-R194 WeakPolarHBondContact CA-O 3.19Å; S189-R194 VanDerWaalsContact CB-O 3.3Å; S189-R194 WeakPolarHBondContact CB-O 3.42Å; S189-R194 PolarHBondContact O-N 3.17Å; S189-R194 PolarHBondContact OG-O 3.2Å; S189-I196 VanDerWaalsContact CB-CG1 3.46Å |
| 190 | Q | 88.9 | Confident | 87.5 | Confident | 134 Ų | 134 | 58.3 Ų | 58.3 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 174.6 | -73.2 | 170.9 | -15.8 | 0 | 0 | 112.4 | K186 L187 I188 | K186-Q190 WeakPolarHBondContact O-CG 3.39Å; K186-Q190 PolarHBondContact O-N 3.03Å; K186-Q190 VanDerWaalsContact O-N 3.1Å; L187-Q190 PolarHBondContact O-N 3.04Å; I188-Q190 VanDerWaalsContact C-N 3.33Å; I188-Q190 PolarHBondContact O-N 3.35Å |
| 191 | K | 89.5 | Confident | 87 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -77 | -32.3 | -179.2 | -75.4 | -177.6 | 172.8 | -74.7 | 0 | 114.3 | F177 Y181 L187 I188 | F177-K191 HydrophobicContact CD1-CD 4.07Å; F177-K191 HydrophobicContact CD2-CB 4.3Å; F177-K191 HydrophobicContact CE1-CB 4.43Å; F177-K191 HydrophobicContact CE1-CD 3.86Å; F177-K191 HydrophobicContact CE2-CB 3.89Å; F177-K191 HydrophobicContact CZ-CB 3.97Å; F177-K191 HydrophobicContact CZ-CD 4.21Å; Y181-K191 HydrophobicContact CD2-CD 4.44Å; Y181-K191 HydrophobicContact CE2-CD 3.58Å; Y181-K191 VanDerWaalsContact OH-CE 3.26Å; Y181-K191 WeakPolarHBondContact OH-CE 3.39Å; L187-K191 PolarHBondContact O-N 3.29Å; I188-K191 PolarHBondContact O-N 2.99Å; I188-K191 VanDerWaalsContact O-N 3.14Å |
| 192 | M | 87.5 | Confident | 86.6 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -95.1 | -4.6 | -179.5 | -67.9 | -169.6 | 69.6 | 0 | 0 | 113.6 | E170 A173 L174 F177 I188 R194 L199 | E170-M192 HydrophobicContact CB-CE 4.17Å; E170-M192 WeakPolarHBondContact O-CE 3.22Å; A173-M192 HydrophobicContact CB-CE 4.35Å; L174-M192 HydrophobicContact CB-CE 3.84Å; L174-M192 HydrophobicContact CB-SD 3.8Å; L174-M192 HydrophobicContact CD1-SD 3.89Å; L174-M192 HydrophobicContact CG-SD 4.42Å; F177-M192 HydrophobicContact CD2-CG 3.58Å; F177-M192 HydrophobicContact CD2-SD 4.09Å; F177-M192 HydrophobicContact CE2-CG 3.72Å; I188-M192 HydrophobicContact CG2-CG 4.2Å; I188-M192 HydrophobicContact CG2-SD 3.8Å; I188-M192 WeakPolarHBondContact O-CB 3.29Å; I188-M192 PolarHBondContact O-N 3.28Å; M192-R194 PolarHBondContact O-N 3.08Å; M192-L199 HydrophobicContact CB-CD1 4.4Å; M192-L199 HydrophobicContact CB-CD2 4.47Å; M192-L199 HydrophobicContact CE-CD2 3.89Å; M192-L199 HydrophobicContact SD-CD1 4.34Å; M192-L199 HydrophobicContact SD-CD2 3.6Å |
| 193 | D | 87.5 | Confident | 86.4 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 30.6 | -174.5 | -155.3 | 36 | 0 | 0 | 0 | 114.9 | K160 S189 | K160-D193 WeakPolarHBondContact CE-OD1 3.46Å; K160-D193 IonicContact NZ-OD1 2.85Å; K160-D193 PolarHBondContact NZ-OD1 2.88Å; S189-D193 WeakPolarHBondContact O-CA 3.06Å; S189-D193 PolarHBondContact O-N 3.24Å |
| 194 | R | 85.9 | Confident | 85.8 | Confident | 12 Ų | 12 | 57 Ų | 57 | 5% | 0.045 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -120.6 | 155.1 | 177.8 | -78.7 | -167.2 | 177.3 | -126.1 | -0.3 | 111.3 | M163 G164 R165 F166 E170 S189 M192 L199 | M163-R194 PolarHBondContact O-NH2 3.17Å; G164-R194 PolarHBondContact O-NH1 3.41Å; G164-R194 VanDerWaalsContact O-NH1 3.11Å; R165-R194 PolarHBondContact O-NH2 3.48Å; F166-R194 VanDerWaalsContact CE1-CD 3.49Å; E170-R194 IonicContact OE1-CZ 3.21Å; E170-R194 IonicContact OE1-NE 3.46Å; E170-R194 PolarHBondContact OE1-NE 2.68Å; E170-R194 IonicContact OE1-NH2 3.46Å; E170-R194 PolarHBondContact OE1-NH2 3.49Å; E170-R194 IonicContact OE2-CZ 2.73Å; E170-R194 IonicContact OE2-NE 2.85Å; E170-R194 IonicContact OE2-NH2 3.54Å; E170-R194 PolarHBondContact OE2-NH2 2.84Å; S189-R194 WeakPolarHBondContact CA-O 3.19Å; S189-R194 VanDerWaalsContact CB-O 3.3Å; S189-R194 WeakPolarHBondContact CB-O 3.42Å; S189-R194 PolarHBondContact O-N 3.17Å; S189-R194 PolarHBondContact OG-O 3.2Å; M192-R194 PolarHBondContact O-N 3.08Å; R194-L199 HydrophobicContact CB-CD1 4.47Å; R194-L199 HydrophobicContact CB-CD2 4.06Å; R194-L199 HydrophobicContact CB-CG 4.19Å |
| 195 | S | 85.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | trans | -58.8 | 138.7 | 179.8 | -173.9 | 0 | 0 | 0 | 0 | 112.8 | D158 K160 F197 S198 L199 | D158-S195 WeakPolarHBondContact OD2-CB 3.44Å; D158-S195 PolarHBondContact OD2-OG 3.45Å; K160-S195 WeakPolarHBondContact O-CB 3.34Å; K160-S195 PolarHBondContact O-N 3.15Å; S195-F197 PolarHBondContact O-N 3.49Å; S195-F197 PolarHBondContact OG-N 2.97Å; S195-S198 WeakPolarHBondContact O-CB 3.4Å; S195-S198 PolarHBondContact O-N 3.21Å; S195-S198 VanDerWaalsContact O-N 3.09Å; S195-L199 WeakPolarHBondContact O-CG 3.42Å; S195-L199 PolarHBondContact O-N 3.24Å | ||
| 196 | I | 87.5 | Confident | 83.8 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -48.5 | -45 | 173 | -66.4 | 174.1 | 0 | 0 | 0 | 111.1 | W185 K186 S189 L199 Q200 | W185-I196 HydrophobicContact CB-CG2 3.8Å; K186-I196 HydrophobicContact CB-CD1 4.49Å; K186-I196 HydrophobicContact CG-CD1 3.85Å; S189-I196 VanDerWaalsContact CB-CG1 3.46Å; I196-L199 PolarHBondContact O-N 2.99Å; I196-Q200 HydrophobicContact CG2-CG 4.44Å; I196-Q200 WeakPolarHBondContact O-CB 3.46Å; I196-Q200 VanDerWaalsContact O-CG 3.3Å; I196-Q200 WeakPolarHBondContact O-CG 3.43Å; I196-Q200 PolarHBondContact O-N 2.81Å |
| 197 | F | 81.8 | Confident | 82.2 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 20% | 0.202 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.5 | -38.1 | -176.7 | -63.9 | -70.9 | 0 | 0 | 0 | 112.4 | L151 L154 K155 S195 K201 | L151-F197 HydrophobicContact CD2-CE1 3.87Å; L151-F197 HydrophobicContact CD2-CZ 3.68Å; L154-F197 HydrophobicContact CB-CE2 3.88Å; L154-F197 HydrophobicContact CB-CZ 4.4Å; L154-F197 HydrophobicContact CD1-CE2 4.15Å; L154-F197 HydrophobicContact CD1-CZ 4.06Å; K155-F197 HydrophobicContact CG-CB 4.45Å; K155-F197 HydrophobicContact CG-CD2 3.9Å; K155-F197 HydrophobicContact CG-CE2 4.34Å; K155-F197 HydrophobicContact CG-CG 4.13Å; S195-F197 PolarHBondContact O-N 3.49Å; S195-F197 PolarHBondContact OG-N 2.97Å; F197-K201 VanDerWaalsContact O-CB 3.23Å; F197-K201 WeakPolarHBondContact O-CB 3.47Å; F197-K201 PolarHBondContact O-N 3.09Å |
| 198 | S | 81.5 | Confident | 80.2 | Confident | 21 Ų | 21 | 52 Ų | 52 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 176.5 | -174 | 0 | 0 | 0 | 0 | 110.6 | F166 S195 K201 R202 | F166-S198 WeakPolarHBondContact CE2-OG 3.49Å; F166-S198 WeakPolarHBondContact CZ-OG 3.46Å; S195-S198 WeakPolarHBondContact O-CB 3.4Å; S195-S198 PolarHBondContact O-N 3.21Å; S195-S198 VanDerWaalsContact O-N 3.09Å; S198-K201 PolarHBondContact O-N 3.23Å; S198-R202 VanDerWaalsContact O-CB 3.3Å; S198-R202 WeakPolarHBondContact O-CB 3.05Å; S198-R202 PolarHBondContact O-N 3.26Å |
| 199 | L | 86.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 177.7 | -64.1 | 175.3 | 0 | 0 | 0 | 112.7 | F166 L174 W185 I188 M192 R194 S195 I196 K201 R202 F203 | F166-L199 HydrophobicContact CE1-CD2 3.75Å; F166-L199 HydrophobicContact CZ-CD2 4.08Å; L174-L199 HydrophobicContact CD1-CB 4.33Å; L174-L199 HydrophobicContact CD1-CD2 4.05Å; L174-L199 HydrophobicContact CD2-CD2 4.39Å; W185-L199 HydrophobicContact CE3-CB 4.24Å; W185-L199 HydrophobicContact CZ3-CB 4.42Å; I188-L199 HydrophobicContact CG2-CD1 4.03Å; M192-L199 HydrophobicContact CB-CD1 4.4Å; M192-L199 HydrophobicContact CB-CD2 4.47Å; M192-L199 HydrophobicContact CE-CD2 3.89Å; M192-L199 HydrophobicContact SD-CD1 4.34Å; M192-L199 HydrophobicContact SD-CD2 3.6Å; R194-L199 HydrophobicContact CB-CD1 4.47Å; R194-L199 HydrophobicContact CB-CD2 4.06Å; R194-L199 HydrophobicContact CB-CG 4.19Å; S195-L199 WeakPolarHBondContact O-CG 3.42Å; S195-L199 PolarHBondContact O-N 3.24Å; I196-L199 PolarHBondContact O-N 2.99Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.21Å; L199-R202 PolarHBondContact O-N 3.2Å; L199-F203 VanDerWaalsContact O-CB 3.27Å; L199-F203 WeakPolarHBondContact O-CB 3.18Å; L199-F203 PolarHBondContact O-N 3.11Å |
| 200 | Q | 84.2 | Confident | 76 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 34% | 0.341 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 176.2 | -77.8 | 177.1 | -14.6 | 0 | 0 | 111.9 | W185 I196 A204 | W185-Q200 HydrophobicContact CB-CG 4.32Å; W185-Q200 HydrophobicContact CD2-CG 3.44Å; W185-Q200 VanDerWaalsContact CD2-CG 3.44Å; W185-Q200 HydrophobicContact CE3-CG 3.93Å; W185-Q200 HydrophobicContact CG-CG 3.6Å; W185-Q200 HydrophobicContact CZ2-CG 4.3Å; I196-Q200 HydrophobicContact CG2-CG 4.44Å; I196-Q200 WeakPolarHBondContact O-CB 3.46Å; I196-Q200 VanDerWaalsContact O-CG 3.3Å; I196-Q200 WeakPolarHBondContact O-CG 3.43Å; I196-Q200 PolarHBondContact O-N 2.81Å; Q200-A204 VanDerWaalsContact O-CB 3.31Å; Q200-A204 WeakPolarHBondContact O-CB 3.18Å; Q200-A204 PolarHBondContact O-N 3.07Å |
| 201 | K | 80.9 | Confident | 74.1 | Confident | 159 Ų | 159 | 57.5 Ų | 57.5 | 69% | 0.691 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.7 | -47.5 | 178.5 | -175.7 | -178.2 | -179.2 | -173.8 | 0 | 110.5 | F197 S198 L199 A204 T205 | F197-K201 VanDerWaalsContact O-CB 3.23Å; F197-K201 WeakPolarHBondContact O-CB 3.47Å; F197-K201 PolarHBondContact O-N 3.09Å; S198-K201 PolarHBondContact O-N 3.23Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.21Å; K201-A204 PolarHBondContact O-N 2.9Å; K201-T205 WeakPolarHBondContact O-CG2 3.2Å; K201-T205 PolarHBondContact O-N 2.91Å; K201-T205 PolarHBondContact O-OG1 3.14Å |
| 202 | R | 80.9 | Confident | 72.5 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 25% | 0.253 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | -179.6 | -177.1 | 56.7 | 178.9 | 176.5 | -3 | 111 | F166 L171 L174 S198 L199 A204 T205 L206 | F166-R202 HydrophobicContact CD1-CG 4.26Å; F166-R202 HydrophobicContact CD2-CB 4.19Å; F166-R202 HydrophobicContact CD2-CG 3.77Å; F166-R202 HydrophobicContact CE1-CB 4.41Å; F166-R202 HydrophobicContact CE1-CG 4.27Å; F166-R202 HydrophobicContact CE2-CB 3.67Å; F166-R202 HydrophobicContact CE2-CG 3.78Å; F166-R202 HydrophobicContact CG-CG 4.02Å; F166-R202 HydrophobicContact CZ-CB 3.79Å; F166-R202 HydrophobicContact CZ-CG 4.03Å; L171-R202 HydrophobicContact CD2-CG 3.92Å; L174-R202 HydrophobicContact CD2-CB 4.24Å; L174-R202 HydrophobicContact CD2-CG 4.04Å; S198-R202 VanDerWaalsContact O-CB 3.3Å; S198-R202 WeakPolarHBondContact O-CB 3.05Å; S198-R202 PolarHBondContact O-N 3.26Å; L199-R202 PolarHBondContact O-N 3.2Å; R202-A204 PolarHBondContact O-N 2.64Å; R202-T205 WeakPolarHBondContact CA-OG1 3.35Å; R202-T205 CarbonylContact O-C 3.59Å; R202-T205 PolarHBondContact O-N 2.77Å; R202-T205 VanDerWaalsContact O-N 3.08Å; R202-T205 PolarHBondContact O-OG1 2.84Å; R202-L206 HydrophobicContact CG-CD1 3.86Å; R202-L206 HydrophobicContact CG-CG 4.33Å; R202-L206 VanDerWaalsContact O-CG 3.32Å; R202-L206 WeakPolarHBondContact O-CG 3.28Å; R202-L206 PolarHBondContact O-N 3.17Å |
| 203 | F | 82.2 | Confident | 70.8 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -41 | 177 | -169.6 | -95 | 0 | 0 | 0 | 112.7 | L174 H178 W185 L199 T205 L206 | L174-F203 HydrophobicContact CD2-CB 4.28Å; L174-F203 HydrophobicContact CG-CD2 4.2Å; H178-F203 HydrophobicContact CB-CD2 4.25Å; H178-F203 HydrophobicContact CB-CE2 3.68Å; H178-F203 HydrophobicContact CB-CZ 4.13Å; H178-F203 AromaticContact CD2-CE1 3.84Å; H178-F203 AromaticContact CD2-CE2 3.94Å; H178-F203 AromaticContact CD2-CZ 3.67Å; H178-F203 AromaticContact CE1-CE1 3.62Å; H178-F203 AromaticContact CE1-CZ 3.33Å; H178-F203 WeakPolarHBondContact CE1-CZ 3.4Å; H178-F203 AromaticContact CG-CE2 3.44Å; H178-F203 VanDerWaalsContact CG-CE2 3.44Å; H178-F203 AromaticContact CG-CZ 3.37Å; H178-F203 AromaticContact ND1-CE1 3.92Å; H178-F203 AromaticContact ND1-CE2 3.64Å; H178-F203 AromaticContact ND1-CZ 3.16Å; H178-F203 WeakPolarHBondContact ND1-CZ 3.19Å; H178-F203 AromaticContact NE2-CE1 3.57Å; H178-F203 AromaticContact NE2-CZ 3.63Å; W185-F203 HydrophobicContact CH2-CB 3.55Å; W185-F203 AromaticContact CH2-CD1 3.61Å; W185-F203 HydrophobicContact CH2-CD1 3.61Å; W185-F203 HydrophobicContact CH2-CD2 4.25Å; W185-F203 HydrophobicContact CH2-CE1 4.37Å; W185-F203 AromaticContact CH2-CG 3.53Å; W185-F203 HydrophobicContact CH2-CG 3.53Å; W185-F203 HydrophobicContact CZ2-CD1 4.15Å; W185-F203 HydrophobicContact CZ2-CG 4.49Å; W185-F203 HydrophobicContact CZ3-CB 3.99Å; W185-F203 HydrophobicContact CZ3-CG 4.27Å; L199-F203 VanDerWaalsContact O-CB 3.27Å; L199-F203 WeakPolarHBondContact O-CB 3.18Å; L199-F203 PolarHBondContact O-N 3.11Å; F203-T205 PolarHBondContact O-N 3.23Å; F203-L206 CarbonylContact O-C 3.37Å; F203-L206 PolarHBondContact O-N 3.4Å; F203-L206 VanDerWaalsContact O-N 3.14Å |
| 204 | A | 75.1 | Confident | 69.1 | Low | 62 Ų | 62 | 54.9 Ų | 54.9 | 51% | 0.512 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -24.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q200 K201 R202 | Q200-A204 VanDerWaalsContact O-CB 3.31Å; Q200-A204 WeakPolarHBondContact O-CB 3.18Å; Q200-A204 PolarHBondContact O-N 3.07Å; K201-A204 PolarHBondContact O-N 2.9Å; R202-A204 PolarHBondContact O-N 2.64Å |
| 205 | T | 68.1 | Low | 67.9 | Low | 54 Ų | 54 | 56.9 Ų | 56.9 | 33% | 0.331 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -91 | -23 | 174.7 | 59 | 0 | 0 | 0 | 0 | 113.8 | K201 R202 F203 G207 | K201-T205 WeakPolarHBondContact O-CG2 3.2Å; K201-T205 PolarHBondContact O-N 2.91Å; K201-T205 PolarHBondContact O-OG1 3.14Å; R202-T205 WeakPolarHBondContact CA-OG1 3.35Å; R202-T205 CarbonylContact O-C 3.59Å; R202-T205 PolarHBondContact O-N 2.77Å; R202-T205 VanDerWaalsContact O-N 3.08Å; R202-T205 PolarHBondContact O-OG1 2.84Å; F203-T205 PolarHBondContact O-N 3.23Å; T205-G207 PolarHBondContact O-N 3.22Å |
| 206 | L | 68.8 | Low | 66.9 | Low | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -75 | 102.8 | 169.6 | -70.2 | 163.3 | 0 | 0 | 0 | 106 | L171 L174 R202 F203 S208 | L171-L206 HydrophobicContact CD2-CD1 3.9Å; L171-L206 HydrophobicContact CD2-CD2 4.16Å; L174-L206 HydrophobicContact CD2-CD1 3.78Å; R202-L206 HydrophobicContact CG-CD1 3.86Å; R202-L206 HydrophobicContact CG-CG 4.33Å; R202-L206 VanDerWaalsContact O-CG 3.32Å; R202-L206 WeakPolarHBondContact O-CG 3.28Å; R202-L206 PolarHBondContact O-N 3.17Å; F203-L206 CarbonylContact O-C 3.37Å; F203-L206 PolarHBondContact O-N 3.4Å; F203-L206 VanDerWaalsContact O-N 3.14Å; L206-S208 PolarHBondContact O-N 3.48Å |
| 207 | G | 54.7 | Low | 66.2 | Low | 19 Ų | 19 | 63.3 Ų | 63.3 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | trans | -50.4 | 142.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T205 S209 | T205-G207 PolarHBondContact O-N 3.22Å; G207-S209 PolarHBondContact O-N 2.93Å | ||
| 208 | S | 47.7 | Very low | 66.1 | Low | 118 Ų | 118 | 64.2 Ų | 64.2 | 83% | 0.825 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -66.6 | 19.6 | -166.4 | -52.1 | 0 | 0 | 0 | 0 | 116.3 | L206 | L206-S208 PolarHBondContact O-N 3.48Š|
| 209 | S | 47.8 | Very low | 65.8 | Low | 72 Ų | 72 | 66.2 Ų | 66.2 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -136 | 132.5 | -178.3 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | G207 G211 V212 | G207-S209 PolarHBondContact O-N 2.93Å; S209-G211 PolarHBondContact O-N 3.15Å; S209-V212 PolarHBondContact O-N 3.04Å |
| 210 | P | 43.2 | Very low | 65.4 | Low | 127 Ų | 127 | 71.6 Ų | 71.6 | 83% | 0.825 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 120 | 160.8 | -3.3 | 16.5 | 0 | 0 | 0 | 107.6 | ||
| 211 | G | 50 | Low | 65.1 | Low | 65 Ų | 65 | 68.7 Ų | 68.7 | 67% | 0.67 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.5 | -1.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S209 G213 | S209-G211 PolarHBondContact O-N 3.15Å; G211-G213 PolarHBondContact O-N 2.87Å; G211-G213 VanDerWaalsContact O-N 3.15Å |
| 212 | V | 55.1 | Low | 64.9 | Low | 24 Ų | 24 | 63.1 Ų | 63.1 | 15% | 0.145 | 41% | 0.406 | C | S | . | . | trans | -68.9 | 109.1 | 167 | 172.6 | 0 | 0 | 0 | 0 | 109 | S209 H214 T264 | S209-V212 PolarHBondContact O-N 3.04Å; V212-H214 PolarHBondContact O-N 3.29Å; V212-T264 CarbonylContact C-O 3.55Å; V212-T264 WeakPolarHBondContact CA-O 3.37Å | ||
| 213 | G | 52.7 | Low | 64.8 | Low | 26 Ų | 26 | 65 Ų | 65 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | trans | -59.3 | 121.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G211 T264 R265 Q269 | G211-G213 PolarHBondContact O-N 2.87Å; G211-G213 VanDerWaalsContact O-N 3.15Å; G213-T264 PolarHBondContact N-O 3.14Å; G213-R265 PolarHBondContact O-NH1 2.82Å; G213-Q269 PolarHBondContact O-NE2 2.66Å | ||
| 214 | H | 50.6 | Low | 64.8 | Low | 108 Ų | 108 | 67.5 Ų | 67.5 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | trans | -92.1 | 114.1 | 159 | -74.4 | -57.3 | 0 | 0 | 0 | 107.5 | V212 | V212-H214 PolarHBondContact O-N 3.29Š| ||
| 215 | G | 60.5 | Low | 65.2 | Low | 54 Ų | 54 | 64.6 Ų | 64.6 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 154.4 | -179.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R265 | G215-R265 PolarHBondContact O-NH1 3.16Å; G215-R265 PolarHBondContact O-NH2 3.23Å |
| 216 | V | 65.6 | Low | 65.8 | Low | 137 Ų | 137 | 63.8 Ų | 63.8 | 83% | 0.83 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -57.5 | 144.6 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | R265 | V216-R265 PolarHBondContact O-NH2 2.93Š|
| 217 | W | 73.5 | Confident | 66.4 | Low | 43 Ų | 43 | 66.7 Ų | 66.7 | 16% | 0.163 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 128.8 | 176.8 | -78.9 | 70.8 | 0 | 0 | 0 | 109.7 | E221 E222 L225 R265 Q269 K273 | W217-E221 WeakPolarHBondContact CA-OE2 3.25Å; W217-E221 HydrophobicContact CE3-CB 3.7Å; W217-E221 HydrophobicContact CZ3-CB 4.11Å; W217-E222 HydrophobicContact CB-CG 4.01Å; W217-E222 HydrophobicContact CE3-CG 4.03Å; W217-L225 HydrophobicContact CH2-CD2 3.79Å; W217-L225 HydrophobicContact CZ3-CB 4.07Å; W217-L225 HydrophobicContact CZ3-CD2 3.83Å; W217-R265 HydrophobicContact CH2-CB 3.9Å; W217-R265 HydrophobicContact CH2-CG 3.66Å; W217-R265 HydrophobicContact CZ2-CB 4.14Å; W217-R265 HydrophobicContact CZ2-CG 3.8Å; W217-R265 HydrophobicContact CZ3-CG 4.04Å; W217-Q269 HydrophobicContact CZ2-CB 4.22Å; W217-K273 HydrophobicContact CD2-CB 4.2Å; W217-K273 HydrophobicContact CD2-CD 3.88Å; W217-K273 HydrophobicContact CD2-CG 3.64Å; W217-K273 HydrophobicContact CE3-CG 3.9Å; W217-K273 HydrophobicContact CG-CD 3.9Å; W217-K273 HydrophobicContact CG-CG 4.21Å; W217-K273 HydrophobicContact CH2-CB 3.81Å; W217-K273 HydrophobicContact CH2-CG 3.99Å; W217-K273 HydrophobicContact CZ2-CB 3.32Å; W217-K273 HydrophobicContact CZ2-CG 3.72Å; W217-K273 HydrophobicContact CZ3-CB 4.4Å; W217-K273 HydrophobicContact CZ3-CG 4.08Å |
| 218 | T | 78.4 | Confident | 67.8 | Low | 64 Ų | 64 | 66 Ų | 66 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 159.6 | 170.8 | 81.7 | 0 | 0 | 0 | 0 | 110.5 | E220 E221 E222 | T218-E220 WeakPolarHBondContact CB-OE2 3.3Å; T218-E220 PolarHBondContact O-N 3.22Å; T218-E220 PolarHBondContact OG1-OE2 2.95Å; T218-E221 PolarHBondContact N-OE2 3.18Å; T218-E221 PolarHBondContact O-N 3.47Å; T218-E221 WeakPolarHBondContact OG1-CG 3.49Å; T218-E221 PolarHBondContact OG1-N 3.34Å; T218-E222 PolarHBondContact O-N 2.82Å |
| 219 | A | 75.6 | Confident | 69.3 | Low | 64 Ų | 64 | 60.3 Ų | 60.3 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.4 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E222 Q223 | A219-E222 PolarHBondContact O-N 3.27Å; A219-Q223 WeakPolarHBondContact O-CB 3.2Å; A219-Q223 WeakPolarHBondContact O-CG 3.46Å; A219-Q223 PolarHBondContact O-N 3.5Å |
| 220 | E | 77.4 | Confident | 70.6 | Confident | 112 Ų | 112 | 59.6 Ų | 59.6 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.5 | -33.9 | 179.1 | -50.2 | 75.4 | -162.6 | 0 | 0 | 112.2 | T218 R224 | T218-E220 WeakPolarHBondContact CB-OE2 3.3Å; T218-E220 PolarHBondContact O-N 3.22Å; T218-E220 PolarHBondContact OG1-OE2 2.95Å; E220-R224 WeakPolarHBondContact O-CB 3.37Å; E220-R224 WeakPolarHBondContact O-CG 3.38Å; E220-R224 PolarHBondContact O-N 3.2Å; E220-R224 VanDerWaalsContact O-N 3.1Å; E220-R224 PolarHBondContact O-NE 3.03Å |
| 221 | E | 78.1 | Confident | 72.4 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 172 | -68.8 | -178.8 | 126.7 | 0 | 0 | 111.3 | W217 T218 L225 T264 R265 | W217-E221 WeakPolarHBondContact CA-OE2 3.25Å; W217-E221 HydrophobicContact CE3-CB 3.7Å; W217-E221 HydrophobicContact CZ3-CB 4.11Å; T218-E221 PolarHBondContact N-OE2 3.18Å; T218-E221 PolarHBondContact O-N 3.47Å; T218-E221 WeakPolarHBondContact OG1-CG 3.49Å; T218-E221 PolarHBondContact OG1-N 3.34Å; E221-L225 WeakPolarHBondContact O-CB 3.37Å; E221-L225 PolarHBondContact O-N 3.11Å; E221-T264 WeakPolarHBondContact OE1-CB 3.43Å; E221-T264 PolarHBondContact OE1-OG1 2.9Å; E221-R265 IonicContact OE1-CZ 3.97Å; E221-R265 IonicContact OE1-NE 2.72Å; E221-R265 PolarHBondContact OE1-NE 2.8Å; E221-R265 IonicContact OE1-NH2 3.16Å; E221-R265 PolarHBondContact OE1-NH2 3.06Å; E221-R265 IonicContact OE2-CZ 2.79Å; E221-R265 IonicContact OE2-NE 3.34Å; E221-R265 PolarHBondContact OE2-NE 2.84Å; E221-R265 IonicContact OE2-NH2 2.64Å; E221-R265 PolarHBondContact OE2-NH2 3.38Å |
| 222 | E | 77.9 | Confident | 73.6 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 176.2 | -72.9 | -167.3 | -172.7 | 0 | 0 | 112.5 | W217 T218 A219 L225 K226 K273 | W217-E222 HydrophobicContact CB-CG 4.01Å; W217-E222 HydrophobicContact CE3-CG 4.03Å; T218-E222 PolarHBondContact O-N 2.82Å; A219-E222 PolarHBondContact O-N 3.27Å; E222-L225 PolarHBondContact O-N 3.07Å; E222-K226 WeakPolarHBondContact O-CB 3.42Å; E222-K226 WeakPolarHBondContact O-CG 3.33Å; E222-K226 PolarHBondContact O-N 3.09Å; E222-K273 VanDerWaalsContact CD-CE 3.43Å; E222-K273 WeakPolarHBondContact OE1-CE 3.47Å; E222-K273 IonicContact OE1-NZ 3.83Å; E222-K273 PolarHBondContact OE1-NZ 2.67Å |
| 223 | Q | 77.6 | Confident | 74.4 | Confident | 108 Ų | 108 | 56.3 Ų | 56.3 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.7 | -78.5 | -174.1 | -19.1 | 0 | 0 | 111.6 | A219 L225 K226 Q227 | A219-Q223 WeakPolarHBondContact O-CB 3.2Å; A219-Q223 WeakPolarHBondContact O-CG 3.46Å; A219-Q223 PolarHBondContact O-N 3.5Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.42Å; Q223-K226 PolarHBondContact O-N 2.6Å; Q223-Q227 WeakPolarHBondContact O-CB 3.38Å; Q223-Q227 PolarHBondContact O-N 3.1Å |
| 224 | R | 83.1 | Confident | 75.1 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 174.7 | -76.8 | -175.5 | -68.8 | 175.3 | -4.2 | 112.6 | E220 A228 V262 | E220-R224 WeakPolarHBondContact O-CB 3.37Å; E220-R224 WeakPolarHBondContact O-CG 3.38Å; E220-R224 PolarHBondContact O-N 3.2Å; E220-R224 VanDerWaalsContact O-N 3.1Å; E220-R224 PolarHBondContact O-NE 3.03Å; R224-A228 VanDerWaalsContact O-CB 3.31Å; R224-A228 WeakPolarHBondContact O-CB 3.41Å; R224-A228 PolarHBondContact O-N 3.3Å; R224-V262 PolarHBondContact NH1-O 3.11Å; R224-V262 VanDerWaalsContact NH1-O 3.15Å |
| 225 | L | 83.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 175 | 177.5 | 66.2 | 0 | 0 | 0 | 111.5 | W217 E221 E222 Q223 Q227 V229 I258 V262 C270 K273 W274 L277 | W217-L225 HydrophobicContact CH2-CD2 3.79Å; W217-L225 HydrophobicContact CZ3-CB 4.07Å; W217-L225 HydrophobicContact CZ3-CD2 3.83Å; E221-L225 WeakPolarHBondContact O-CB 3.37Å; E221-L225 PolarHBondContact O-N 3.11Å; E222-L225 PolarHBondContact O-N 3.07Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.42Å; L225-Q227 VanDerWaalsContact C-N 3.33Å; L225-Q227 PolarHBondContact O-N 3.01Å; L225-V229 HydrophobicContact CD1-CG2 4.12Å; L225-V229 WeakPolarHBondContact O-CB 3.48Å; L225-V229 VanDerWaalsContact O-CG2 3.26Å; L225-V229 WeakPolarHBondContact O-CG2 3.41Å; L225-V229 PolarHBondContact O-N 3.06Å; L225-I258 HydrophobicContact CD1-CG2 3.76Å; L225-V262 HydrophobicContact CB-CG2 4.07Å; L225-V262 HydrophobicContact CD1-CG2 4.14Å; L225-C270 HydrophobicContact CD1-CB 3.71Å; L225-K273 HydrophobicContact CD2-CB 3.8Å; L225-K273 HydrophobicContact CD2-CG 3.74Å; L225-W274 HydrophobicContact CD2-CB 4.39Å; L225-L277 HydrophobicContact CD2-CD1 4.47Å |
| 226 | K | 80.6 | Confident | 75.7 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 177.8 | -74.5 | 172.1 | -177.3 | 172.6 | 0 | 110.8 | E222 Q223 V229 R230 L277 F399 | E222-K226 WeakPolarHBondContact O-CB 3.42Å; E222-K226 WeakPolarHBondContact O-CG 3.33Å; E222-K226 PolarHBondContact O-N 3.09Å; Q223-K226 PolarHBondContact O-N 2.6Å; K226-V229 PolarHBondContact O-N 3.44Å; K226-R230 VanDerWaalsContact O-CB 3.25Å; K226-R230 WeakPolarHBondContact O-CB 3.39Å; K226-R230 PolarHBondContact O-N 3.32Å; K226-L277 HydrophobicContact CG-CD1 4.47Å; K226-F399 HydrophobicContact CB-CE1 4.19Å |
| 227 | Q | 81.3 | Confident | 75.2 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -50.4 | 179.2 | -175.1 | 60.7 | 28 | 0 | 0 | 112.2 | Q223 L225 V229 R230 E231 | Q223-Q227 WeakPolarHBondContact O-CB 3.38Å; Q223-Q227 PolarHBondContact O-N 3.1Å; L225-Q227 VanDerWaalsContact C-N 3.33Å; L225-Q227 PolarHBondContact O-N 3.01Å; Q227-V229 VanDerWaalsContact C-N 3.25Å; Q227-V229 PolarHBondContact O-N 3.02Å; Q227-R230 WeakPolarHBondContact O-CB 3.5Å; Q227-R230 PolarHBondContact O-N 3.33Å; Q227-R230 VanDerWaalsContact O-N 3.08Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.18Å; Q227-E231 PolarHBondContact NE2-OE1 3.42Å; Q227-E231 WeakPolarHBondContact O-CG 3.38Å; Q227-E231 PolarHBondContact O-N 3.31Å |
| 228 | A | 82.6 | Confident | 74.3 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R224 R232 I258 E261 | R224-A228 VanDerWaalsContact O-CB 3.31Å; R224-A228 WeakPolarHBondContact O-CB 3.41Å; R224-A228 PolarHBondContact O-N 3.3Å; A228-R232 WeakPolarHBondContact O-CG 3.3Å; A228-I258 HydrophobicContact CB-CG2 4.11Å; A228-E261 HydrophobicContact CB-CB 4.18Å; A228-E261 WeakPolarHBondContact CB-OE2 3.45Å |
| 229 | V | 80.6 | Confident | 73 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.9 | -39.6 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | L225 K226 Q227 R232 L233 L253 W255 I258 W274 | L225-V229 HydrophobicContact CD1-CG2 4.12Å; L225-V229 WeakPolarHBondContact O-CB 3.48Å; L225-V229 VanDerWaalsContact O-CG2 3.26Å; L225-V229 WeakPolarHBondContact O-CG2 3.41Å; L225-V229 PolarHBondContact O-N 3.06Å; K226-V229 PolarHBondContact O-N 3.44Å; Q227-V229 VanDerWaalsContact C-N 3.25Å; Q227-V229 PolarHBondContact O-N 3.02Å; V229-R232 PolarHBondContact O-N 3.24Å; V229-L233 HydrophobicContact CG1-CD1 3.59Å; V229-L233 HydrophobicContact CG1-CG 4.09Å; V229-L233 WeakPolarHBondContact O-CB 3.35Å; V229-L233 VanDerWaalsContact O-CG 3.24Å; V229-L233 WeakPolarHBondContact O-CG 3.32Å; V229-L233 PolarHBondContact O-N 3.3Å; V229-L253 HydrophobicContact CG1-CD1 4.09Å; V229-W255 HydrophobicContact CG2-CZ3 4.3Å; V229-I258 HydrophobicContact CG2-CD1 4.15Å; V229-I258 HydrophobicContact CG2-CG2 4.25Å; V229-W274 HydrophobicContact CB-CD2 4.3Å; V229-W274 HydrophobicContact CB-CE3 4.09Å; V229-W274 HydrophobicContact CB-CH2 4.2Å; V229-W274 HydrophobicContact CB-CZ2 4.39Å; V229-W274 HydrophobicContact CB-CZ3 4.04Å; V229-W274 HydrophobicContact CG1-CD2 3.82Å; V229-W274 VanDerWaalsContact CG1-CE2 3.48Å; V229-W274 HydrophobicContact CG1-CE3 3.99Å; V229-W274 HydrophobicContact CG1-CH2 3.57Å; V229-W274 HydrophobicContact CG1-CZ2 3.36Å; V229-W274 HydrophobicContact CG1-CZ3 3.87Å; V229-W274 HydrophobicContact CG2-CD2 4.09Å; V229-W274 HydrophobicContact CG2-CE3 4.07Å; V229-W274 HydrophobicContact CG2-CG 4.45Å |
| 230 | R | 75.7 | Confident | 71.6 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.5 | -52.7 | 176.5 | -174.1 | -177.6 | -60.1 | 169.5 | 7.5 | 111.4 | K226 Q227 R232 L233 E234 F399 | K226-R230 VanDerWaalsContact O-CB 3.25Å; K226-R230 WeakPolarHBondContact O-CB 3.39Å; K226-R230 PolarHBondContact O-N 3.32Å; Q227-R230 WeakPolarHBondContact O-CB 3.5Å; Q227-R230 PolarHBondContact O-N 3.33Å; Q227-R230 VanDerWaalsContact O-N 3.08Å; R230-R232 PolarHBondContact O-N 3.29Å; R230-L233 CarbonylContact O-C 3.54Å; R230-L233 WeakPolarHBondContact O-CA 3.07Å; R230-L233 PolarHBondContact O-N 3.05Å; R230-E234 WeakPolarHBondContact CD-OE1 3.44Å; R230-E234 HydrophobicContact CG-CG 4.02Å; R230-E234 WeakPolarHBondContact CG-OE1 3.45Å; R230-E234 WeakPolarHBondContact O-CB 3.37Å; R230-E234 WeakPolarHBondContact O-CG 3.41Å; R230-E234 PolarHBondContact O-N 2.95Å; R230-F399 HydrophobicContact CB-CE1 3.92Å; R230-F399 HydrophobicContact CB-CE2 3.81Å; R230-F399 HydrophobicContact CB-CZ 3.41Å; R230-F399 VanDerWaalsContact CB-CZ 3.41Å; R230-F399 HydrophobicContact CG-CD2 3.96Å; R230-F399 HydrophobicContact CG-CE1 4.31Å; R230-F399 HydrophobicContact CG-CE2 3.48Å; R230-F399 VanDerWaalsContact CG-CE2 3.48Å; R230-F399 HydrophobicContact CG-CZ 3.66Å; R230-F399 VanDerWaalsContact CZ-CB 3.49Å; R230-F399 VanDerWaalsContact CZ-CD1 3.47Å |
| 231 | E | 79.5 | Confident | 70.3 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.5 | -36.6 | -178.5 | -69.7 | 171.6 | -166.7 | 0 | 0 | 112.7 | Q227 L233 S235 | Q227-E231 WeakPolarHBondContact CG-OE1 3.18Å; Q227-E231 PolarHBondContact NE2-OE1 3.42Å; Q227-E231 WeakPolarHBondContact O-CG 3.38Å; Q227-E231 PolarHBondContact O-N 3.31Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-S235 PolarHBondContact O-N 2.84Å; E231-S235 PolarHBondContact O-OG 3.3Å |
| 232 | R | 76.6 | Confident | 68.9 | Low | 67 Ų | 67 | 63.3 Ų | 63.3 | 25% | 0.253 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -79.3 | -15.9 | 178.2 | -65 | -59.8 | -172.8 | -78.6 | -7.9 | 113.7 | A228 V229 R230 S235 R236 L253 E261 | A228-R232 WeakPolarHBondContact O-CG 3.3Å; V229-R232 PolarHBondContact O-N 3.24Å; R230-R232 PolarHBondContact O-N 3.29Å; R232-S235 WeakPolarHBondContact CA-OG 3.36Å; R232-S235 PolarHBondContact O-OG 2.91Å; R232-R236 VanDerWaalsContact O-CD 3.31Å; R232-R236 WeakPolarHBondContact O-CD 3.2Å; R232-R236 WeakPolarHBondContact O-CG 3.43Å; R232-R236 PolarHBondContact O-NE 3.4Å; R232-L253 HydrophobicContact CB-CD2 4.35Å; R232-E261 IonicContact CZ-OE1 3.47Å; R232-E261 IonicContact NH1-OE1 3.56Å; R232-E261 IonicContact NH2-OE1 2.69Å; R232-E261 PolarHBondContact NH2-OE1 3.45Å |
| 233 | L | 71.4 | Confident | 67.7 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -93.6 | -36.4 | 174 | -70.6 | 175.6 | 0 | 0 | 0 | 111.4 | V229 R230 E231 R236 A237 L244 L249 L253 W274 | V229-L233 HydrophobicContact CG1-CD1 3.59Å; V229-L233 HydrophobicContact CG1-CG 4.09Å; V229-L233 WeakPolarHBondContact O-CB 3.35Å; V229-L233 VanDerWaalsContact O-CG 3.24Å; V229-L233 WeakPolarHBondContact O-CG 3.32Å; V229-L233 PolarHBondContact O-N 3.3Å; R230-L233 CarbonylContact O-C 3.54Å; R230-L233 WeakPolarHBondContact O-CA 3.07Å; R230-L233 PolarHBondContact O-N 3.05Å; E231-L233 VanDerWaalsContact C-N 3.33Å; L233-R236 CarbonylContact O-C 3.5Å; L233-R236 WeakPolarHBondContact O-CA 3.4Å; L233-R236 WeakPolarHBondContact O-CB 3.43Å; L233-R236 PolarHBondContact O-N 3Å; L233-A237 PolarHBondContact O-N 3.33Å; L233-L244 HydrophobicContact CB-CD1 3.77Å; L233-L244 HydrophobicContact CD2-CD1 4.14Å; L233-L244 HydrophobicContact CG-CD1 4.4Å; L233-L249 HydrophobicContact CD1-CD2 3.73Å; L233-L249 HydrophobicContact CD2-CD2 4.33Å; L233-L253 HydrophobicContact CD2-CD2 4.09Å; L233-L253 HydrophobicContact CG-CD2 4.43Å; L233-W274 HydrophobicContact CD1-CH2 4.37Å; L233-W274 HydrophobicContact CD1-CZ2 3.95Å |
| 234 | E | 67.9 | Low | 66.8 | Low | 92 Ų | 92 | 58.2 Ų | 58.2 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.2 | -76.5 | 173.2 | 171.3 | 0 | 0 | 111.6 | R230 R236 A237 L395 | R230-E234 WeakPolarHBondContact CD-OE1 3.44Å; R230-E234 HydrophobicContact CG-CG 4.02Å; R230-E234 WeakPolarHBondContact CG-OE1 3.45Å; R230-E234 WeakPolarHBondContact O-CB 3.37Å; R230-E234 WeakPolarHBondContact O-CG 3.41Å; R230-E234 PolarHBondContact O-N 2.95Å; E234-R236 PolarHBondContact O-N 2.87Å; E234-A237 PolarHBondContact O-N 3.35Å; E234-A237 VanDerWaalsContact O-N 3.13Å; E234-L395 HydrophobicContact CG-CD1 4.01Å |
| 235 | S | 62.2 | Low | 65.4 | Low | 90 Ų | 90 | 56.6 Ų | 56.6 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -8.7 | 170.7 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | E231 R232 | E231-S235 PolarHBondContact O-N 2.84Å; E231-S235 PolarHBondContact O-OG 3.3Å; R232-S235 WeakPolarHBondContact CA-OG 3.36Å; R232-S235 PolarHBondContact O-OG 2.91Å |
| 236 | R | 60.4 | Low | 64.1 | Low | 102 Ų | 102 | 58.8 Ų | 58.8 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -11.4 | 177.3 | -62 | 176.9 | -178.1 | -169.2 | -1.5 | 113.6 | R232 L233 E234 Q251 R252 | R232-R236 VanDerWaalsContact O-CD 3.31Å; R232-R236 WeakPolarHBondContact O-CD 3.2Å; R232-R236 WeakPolarHBondContact O-CG 3.43Å; R232-R236 PolarHBondContact O-NE 3.4Å; L233-R236 CarbonylContact O-C 3.5Å; L233-R236 WeakPolarHBondContact O-CA 3.4Å; L233-R236 WeakPolarHBondContact O-CB 3.43Å; L233-R236 PolarHBondContact O-N 3Å; E234-R236 PolarHBondContact O-N 2.87Å; R236-Q251 PolarHBondContact NH1-O 2.89Å; R236-Q251 VanDerWaalsContact NH1-O 3.15Å; R236-R252 PolarHBondContact NH2-O 3.08Å |
| 237 | A | 55 | Low | 62.9 | Low | 28 Ų | 28 | 61.1 Ų | 61.1 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -76.8 | 134.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | L233 E234 L244 L395 | L233-A237 PolarHBondContact O-N 3.33Å; E234-A237 PolarHBondContact O-N 3.35Å; E234-A237 VanDerWaalsContact O-N 3.13Å; A237-L244 HydrophobicContact CB-CD2 4.12Å; A237-L395 HydrophobicContact CB-CD1 4.49Å |
| 238 | G | 55.3 | Low | 61.8 | Low | 36 Ų | 36 | 61.6 Ų | 61.6 | 37% | 0.371 | 36% | 0.36 | S | S | . | . | trans | -62.7 | 161.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D240 G241 | G238-D240 PolarHBondContact O-N 3.16Å; G238-G241 PolarHBondContact O-N 3.32Å | ||
| 239 | P | 50.3 | Low | 60.8 | Low | 137 Ų | 137 | 62 Ų | 62 | 89% | 0.89 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -14.9 | -178.7 | 20.8 | -31.2 | 0 | 0 | 0 | 114.7 | ||
| 240 | D | 46.6 | Very low | 59.7 | Low | 147 Ų | 147 | 62.9 Ų | 62.9 | 79% | 0.786 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 10.2 | -171.8 | -62.9 | -21.8 | 0 | 0 | 0 | 115.1 | G238 S242 | G238-D240 PolarHBondContact O-N 3.16Å; D240-S242 PolarHBondContact O-N 2.86Å |
| 241 | G | 50.4 | Low | 59 | Low | 59 Ų | 59 | 65.1 Ų | 65.1 | 61% | 0.608 | 38% | 0.381 | S | S | * | . | trans | 63.1 | 13.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G238 G243 | G238-G241 PolarHBondContact O-N 3.32Å; G241-G243 PolarHBondContact O-N 3.16Å; G241-G243 VanDerWaalsContact O-N 3.07Å | ||
| 242 | S | 48.6 | Very low | 58.2 | Low | 76 Ų | 76 | 71.7 Ų | 71.7 | 53% | 0.531 | 40% | 0.403 | S | S | . | . | trans | -63.2 | 110.5 | 172.6 | 53.9 | 0 | 0 | 0 | 0 | 108.7 | D240 | D240-S242 PolarHBondContact O-N 2.86Š| ||
| 243 | G | 53.4 | Low | 58.2 | Low | 33 Ų | 33 | 69 Ų | 69 | 34% | 0.34 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -46.6 | 150 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G241 Y393 | G241-G243 PolarHBondContact O-N 3.16Å; G241-G243 VanDerWaalsContact O-N 3.07Å; G243-Y393 WeakPolarHBondContact CA-O 3.44Å |
| 244 | L | 56.9 | Low | 58.5 | Low | 11 Ų | 11 | 70.8 Ų | 70.8 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 135.2 | -177.6 | -65.1 | 173.7 | 0 | 0 | 0 | 110.8 | L233 A237 Q248 L249 L395 | L233-L244 HydrophobicContact CB-CD1 3.77Å; L233-L244 HydrophobicContact CD2-CD1 4.14Å; L233-L244 HydrophobicContact CG-CD1 4.4Å; A237-L244 HydrophobicContact CB-CD2 4.12Å; L244-Q248 HydrophobicContact CB-CB 4.28Å; L244-Q248 HydrophobicContact CD2-CB 4.34Å; L244-L249 HydrophobicContact CB-CD2 3.97Å; L244-L249 HydrophobicContact CB-CG 4.19Å; L244-L249 HydrophobicContact CD1-CD2 3.95Å; L244-L395 HydrophobicContact CD1-CD2 4.13Å |
| 245 | S | 55.2 | Low | 59.1 | Low | 57 Ų | 57 | 67.6 Ų | 67.6 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 154.7 | 171.7 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | N247 Q248 L249 | S245-N247 PolarHBondContact O-N 2.94Å; S245-N247 VanDerWaalsContact O-N 3.11Å; S245-Q248 WeakPolarHBondContact O-CA 3.32Å; S245-Q248 WeakPolarHBondContact O-CB 3.44Å; S245-Q248 PolarHBondContact O-N 3.11Å; S245-Q248 VanDerWaalsContact OG-CD 3.28Å; S245-Q248 VanDerWaalsContact OG-CG 3.28Å; S245-Q248 WeakPolarHBondContact OG-CG 3.21Å; S245-Q248 PolarHBondContact OG-N 3.48Å; S245-Q248 PolarHBondContact OG-OE1 3.02Å; S245-L249 PolarHBondContact O-N 3.31Å; S245-L249 VanDerWaalsContact O-N 3.12Å |
| 246 | R | 55.4 | Low | 59.9 | Low | 46 Ų | 46 | 71.5 Ų | 71.5 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -52.1 | -34.8 | 176.9 | -172.2 | -176 | -171.6 | 143 | 9.3 | 113.5 | S250 M282 D328 | R246-S250 PolarHBondContact O-N 3.46Å; R246-S250 PolarHBondContact O-OG 3.24Å; R246-M282 HydrophobicContact CG-CE 4.01Å; R246-M282 HydrophobicContact CG-SD 4.46Å; R246-D328 VanDerWaalsContact CD-O 3.24Å; R246-D328 WeakPolarHBondContact CD-O 3.28Å; R246-D328 PolarHBondContact NE-O 2.88Å; R246-D328 PolarHBondContact NH1-O 2.82Å |
| 247 | N | 55.2 | Low | 60.8 | Low | 86 Ų | 86 | 71.1 Ų | 71.1 | 46% | 0.46 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.5 | -35.4 | 176.6 | -76.8 | -33.3 | 0 | 0 | 0 | 112.2 | S245 S250 Q251 | S245-N247 PolarHBondContact O-N 2.94Å; S245-N247 VanDerWaalsContact O-N 3.11Å; N247-S250 PolarHBondContact O-N 3.36Å; N247-S250 PolarHBondContact O-OG 3.03Å; N247-Q251 VanDerWaalsContact O-CB 3.3Å; N247-Q251 WeakPolarHBondContact O-CB 3.29Å; N247-Q251 WeakPolarHBondContact O-CG 3.43Å; N247-Q251 PolarHBondContact O-N 3.48Å |
| 248 | Q | 59.8 | Low | 62 | Low | 88 Ų | 88 | 69.8 Ų | 69.8 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.5 | -31.3 | 175.2 | -72.3 | 166 | -48.5 | 0 | 0 | 112.6 | L244 S245 S250 | L244-Q248 HydrophobicContact CB-CB 4.28Å; L244-Q248 HydrophobicContact CD2-CB 4.34Å; S245-Q248 WeakPolarHBondContact O-CA 3.32Å; S245-Q248 WeakPolarHBondContact O-CB 3.44Å; S245-Q248 PolarHBondContact O-N 3.11Å; S245-Q248 VanDerWaalsContact OG-CD 3.28Å; S245-Q248 VanDerWaalsContact OG-CG 3.28Å; S245-Q248 WeakPolarHBondContact OG-CG 3.21Å; S245-Q248 PolarHBondContact OG-N 3.48Å; S245-Q248 PolarHBondContact OG-OE1 3.02Å; Q248-S250 VanDerWaalsContact C-N 3.34Å |
| 249 | L | 60.3 | Low | 63.3 | Low | 10 Ų | 10 | 69 Ų | 69 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.5 | -21.9 | 176.2 | -65.3 | 175.1 | 0 | 0 | 0 | 114 | L233 L244 S245 W274 I398 | L233-L249 HydrophobicContact CD1-CD2 3.73Å; L233-L249 HydrophobicContact CD2-CD2 4.33Å; L244-L249 HydrophobicContact CB-CD2 3.97Å; L244-L249 HydrophobicContact CB-CG 4.19Å; L244-L249 HydrophobicContact CD1-CD2 3.95Å; S245-L249 PolarHBondContact O-N 3.31Å; S245-L249 VanDerWaalsContact O-N 3.12Å; L249-W274 PolarHBondContact O-NE1 2.87Å; L249-I398 HydrophobicContact CD1-CD1 4.24Å; L249-I398 HydrophobicContact CD2-CD1 4.29Å |
| 250 | S | 58.3 | Low | 64.8 | Low | 20 Ų | 20 | 69.3 Ų | 69.3 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -112 | -26.6 | -170.8 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | R246 N247 Q248 | R246-S250 PolarHBondContact O-N 3.46Å; R246-S250 PolarHBondContact O-OG 3.24Å; N247-S250 PolarHBondContact O-N 3.36Å; N247-S250 PolarHBondContact O-OG 3.03Å; Q248-S250 VanDerWaalsContact C-N 3.34Å |
| 251 | Q | 59.6 | Low | 66.3 | Low | 103 Ų | 103 | 65.5 Ų | 65.5 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -99 | 146.6 | -173.7 | -59.7 | -173 | 13.9 | 0 | 0 | 113.4 | R236 N247 L253 | R236-Q251 PolarHBondContact NH1-O 2.89Å; R236-Q251 VanDerWaalsContact NH1-O 3.15Å; N247-Q251 VanDerWaalsContact O-CB 3.3Å; N247-Q251 WeakPolarHBondContact O-CB 3.29Å; N247-Q251 WeakPolarHBondContact O-CG 3.43Å; N247-Q251 PolarHBondContact O-N 3.48Å; Q251-L253 PolarHBondContact O-N 3.3Å |
| 252 | R | 63.8 | Low | 67.7 | Low | 217 Ų | 217 | 62.7 Ų | 62.7 | 82% | 0.819 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 63.1 | 24 | 170.5 | -53.2 | -179.1 | -178 | 176.4 | 0.6 | 116.9 | R236 | R236-R252 PolarHBondContact NH2-O 3.08Š|
| 253 | L | 76 | Confident | 68.9 | Low | 11 Ų | 11 | 68.3 Ų | 68.3 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | trans | -74.8 | 131.3 | 173.5 | -70.9 | 172.3 | 0 | 0 | 0 | 111.6 | V229 R232 L233 Q251 W255 I258 | V229-L253 HydrophobicContact CG1-CD1 4.09Å; R232-L253 HydrophobicContact CB-CD2 4.35Å; L233-L253 HydrophobicContact CD2-CD2 4.09Å; L233-L253 HydrophobicContact CG-CD2 4.43Å; Q251-L253 PolarHBondContact O-N 3.3Å; L253-W255 VanDerWaalsContact C-N 3.28Å; L253-W255 HydrophobicContact CB-CD2 4.4Å; L253-W255 HydrophobicContact CB-CH2 4.39Å; L253-W255 HydrophobicContact CB-CZ2 3.83Å; L253-W255 HydrophobicContact CD1-CH2 3.72Å; L253-W255 HydrophobicContact CD1-CZ2 3.58Å; L253-W255 HydrophobicContact CG-CZ2 4.35Å; L253-W255 PolarHBondContact O-N 3.05Å; L253-I258 HydrophobicContact CB-CD1 4.12Å | ||
| 254 | P | 78.4 | Confident | 69.8 | Low | 37 Ų | 37 | 68.1 Ų | 68.1 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | trans | -78.4 | 74.8 | 179.7 | 33 | -35.1 | 0 | 0 | 0 | 110.9 | R256 E257 I258 | P254-R256 PolarHBondContact O-N 2.94Å; P254-E257 HydrophobicContact CB-CB 4.35Å; P254-E257 HydrophobicContact CB-CG 4.33Å; P254-E257 PolarHBondContact O-N 3.13Å; P254-I258 PolarHBondContact O-N 3.02Å; P254-I258 VanDerWaalsContact O-N 3.16Å | ||
| 255 | W | 81.2 | Confident | 70.5 | Confident | 25 Ų | 25 | 68 Ų | 68 | 10% | 0.095 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.7 | -25.7 | -174.8 | -65.4 | 107.1 | 0 | 0 | 0 | 115.2 | V229 L253 I258 S259 W267 C270 R271 W274 F275 | V229-W255 HydrophobicContact CG2-CZ3 4.3Å; L253-W255 VanDerWaalsContact C-N 3.28Å; L253-W255 HydrophobicContact CB-CD2 4.4Å; L253-W255 HydrophobicContact CB-CH2 4.39Å; L253-W255 HydrophobicContact CB-CZ2 3.83Å; L253-W255 HydrophobicContact CD1-CH2 3.72Å; L253-W255 HydrophobicContact CD1-CZ2 3.58Å; L253-W255 HydrophobicContact CG-CZ2 4.35Å; L253-W255 PolarHBondContact O-N 3.05Å; W255-I258 HydrophobicContact CD2-CD1 4.44Å; W255-I258 HydrophobicContact CE3-CD1 3.91Å; W255-I258 HydrophobicContact CE3-CG2 4.36Å; W255-I258 HydrophobicContact CZ3-CD1 4.03Å; W255-I258 HydrophobicContact CZ3-CG2 4.41Å; W255-S259 VanDerWaalsContact O-CB 3.26Å; W255-S259 WeakPolarHBondContact O-CB 3.38Å; W255-S259 PolarHBondContact O-N 2.93Å; W255-W267 HydrophobicContact CB-CB 3.99Å; W255-W267 HydrophobicContact CB-CE3 4.1Å; W255-W267 WeakPolarHBondContact O-CB 3.49Å; W255-C270 HydrophobicContact CE3-CB 4.25Å; W255-R271 HydrophobicContact CD2-CB 3.58Å; W255-R271 HydrophobicContact CD2-CG 3.93Å; W255-R271 HydrophobicContact CE3-CB 3.84Å; W255-R271 HydrophobicContact CG-CB 3.98Å; W255-R271 HydrophobicContact CG-CG 4.29Å; W255-R271 HydrophobicContact CZ2-CB 4.25Å; W255-R271 HydrophobicContact CZ2-CG 3.95Å; W255-R271 HydrophobicContact CZ3-CB 4.31Å; W255-W274 HydrophobicContact CH2-CB 3.56Å; W255-W274 AromaticContact CH2-CD1 3.39Å; W255-W274 AromaticContact CH2-CG 3.59Å; W255-W274 HydrophobicContact CH2-CG 3.59Å; W255-W274 AromaticContact CZ2-CD1 3.96Å; W255-W274 HydrophobicContact CZ3-CB 3.94Å; W255-W274 HydrophobicContact CZ3-CG 4.32Å; W255-F275 HydrophobicContact CZ2-CE2 4.17Å |
| 256 | R | 78.1 | Confident | 71.5 | Confident | 173 Ų | 173 | 65.4 Ų | 65.4 | 65% | 0.653 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 176.9 | -68.3 | -178 | -176.2 | -91.7 | 0.2 | 112.1 | P254 Q260 W267 | P254-R256 PolarHBondContact O-N 2.94Å; R256-Q260 WeakPolarHBondContact O-CG 3.13Å; R256-Q260 PolarHBondContact O-N 3.33Å; R256-W267 HydrophobicContact CG-CB 4.5Å; R256-W267 HydrophobicContact CG-CG 4.41Å |
| 257 | E | 78.4 | Confident | 72.5 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.6 | -45.3 | 176.5 | -66.8 | 165.4 | -147.2 | 0 | 0 | 110.2 | P254 S259 Q260 E261 | P254-E257 HydrophobicContact CB-CB 4.35Å; P254-E257 HydrophobicContact CB-CG 4.33Å; P254-E257 PolarHBondContact O-N 3.13Å; E257-S259 PolarHBondContact O-N 3.42Å; E257-Q260 WeakPolarHBondContact O-CA 3.35Å; E257-Q260 WeakPolarHBondContact O-CB 3.44Å; E257-Q260 PolarHBondContact O-N 2.86Å; E257-E261 PolarHBondContact O-N 3.31Å |
| 258 | I | 81.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.1 | -40.2 | 175.6 | -64.9 | 165.7 | 0 | 0 | 0 | 110.9 | L225 A228 V229 L253 P254 W255 Q260 E261 V262 C270 | L225-I258 HydrophobicContact CD1-CG2 3.76Å; A228-I258 HydrophobicContact CB-CG2 4.11Å; V229-I258 HydrophobicContact CG2-CD1 4.15Å; V229-I258 HydrophobicContact CG2-CG2 4.25Å; L253-I258 HydrophobicContact CB-CD1 4.12Å; P254-I258 PolarHBondContact O-N 3.02Å; P254-I258 VanDerWaalsContact O-N 3.16Å; W255-I258 HydrophobicContact CD2-CD1 4.44Å; W255-I258 HydrophobicContact CE3-CD1 3.91Å; W255-I258 HydrophobicContact CE3-CG2 4.36Å; W255-I258 HydrophobicContact CZ3-CD1 4.03Å; W255-I258 HydrophobicContact CZ3-CG2 4.41Å; I258-Q260 VanDerWaalsContact C-N 3.32Å; I258-Q260 PolarHBondContact O-N 3.44Å; I258-E261 PolarHBondContact O-N 2.99Å; I258-V262 HydrophobicContact CG2-CG2 4.41Å; I258-V262 VanDerWaalsContact O-CG2 3.28Å; I258-V262 WeakPolarHBondContact O-CG2 3.32Å; I258-V262 PolarHBondContact O-N 2.92Å; I258-C270 HydrophobicContact CG2-CB 4.37Å |
| 259 | S | 82 | Confident | 73.9 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -36 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 113.1 | W255 E257 R263 R265 S266 W267 | W255-S259 VanDerWaalsContact O-CB 3.26Å; W255-S259 WeakPolarHBondContact O-CB 3.38Å; W255-S259 PolarHBondContact O-N 2.93Å; E257-S259 PolarHBondContact O-N 3.42Å; S259-R263 PolarHBondContact O-N 2.91Å; S259-R265 PolarHBondContact OG-O 3.06Å; S259-S266 VanDerWaalsContact OG-C 3.25Å; S259-S266 WeakPolarHBondContact OG-CA 3.3Å; S259-W267 PolarHBondContact OG-N 3.35Å |
| 260 | Q | 81.8 | Confident | 74.8 | Confident | 143 Ų | 143 | 63.8 Ų | 63.8 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69.4 | -36.2 | 176.5 | -69.1 | 169.6 | -10.9 | 0 | 0 | 111.5 | R256 E257 I258 R263 | R256-Q260 WeakPolarHBondContact O-CG 3.13Å; R256-Q260 PolarHBondContact O-N 3.33Å; E257-Q260 WeakPolarHBondContact O-CA 3.35Å; E257-Q260 WeakPolarHBondContact O-CB 3.44Å; E257-Q260 PolarHBondContact O-N 2.86Å; I258-Q260 VanDerWaalsContact C-N 3.32Å; I258-Q260 PolarHBondContact O-N 3.44Å; Q260-R263 WeakPolarHBondContact O-CG 3.37Å; Q260-R263 PolarHBondContact O-N 2.72Å |
| 261 | E | 78.9 | Confident | 75.8 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 175.8 | -69.5 | 173.8 | -164 | 0 | 0 | 112.2 | A228 R232 E257 I258 R263 | A228-E261 HydrophobicContact CB-CB 4.18Å; A228-E261 WeakPolarHBondContact CB-OE2 3.45Å; R232-E261 IonicContact CZ-OE1 3.47Å; R232-E261 IonicContact NH1-OE1 3.56Å; R232-E261 IonicContact NH2-OE1 2.69Å; R232-E261 PolarHBondContact NH2-OE1 3.45Å; E257-E261 PolarHBondContact O-N 3.31Å; I258-E261 PolarHBondContact O-N 2.99Å; E261-R263 PolarHBondContact O-N 2.95Å |
| 262 | V | 78.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68 | -27.2 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | R224 L225 I258 T264 R265 | R224-V262 PolarHBondContact NH1-O 3.11Å; R224-V262 VanDerWaalsContact NH1-O 3.15Å; L225-V262 HydrophobicContact CB-CG2 4.07Å; L225-V262 HydrophobicContact CD1-CG2 4.14Å; I258-V262 HydrophobicContact CG2-CG2 4.41Å; I258-V262 VanDerWaalsContact O-CG2 3.28Å; I258-V262 WeakPolarHBondContact O-CG2 3.32Å; I258-V262 PolarHBondContact O-N 2.92Å; V262-T264 WeakPolarHBondContact CG1-OG1 3.23Å; V262-T264 PolarHBondContact O-N 2.87Å; V262-T264 PolarHBondContact O-OG1 3.14Å; V262-R265 HydrophobicContact CG1-CB 3.99Å; V262-R265 HydrophobicContact CG1-CG 4.23Å |
| 263 | R | 75.2 | Confident | 77.3 | Confident | 195 Ų | 195 | 56.5 Ų | 56.5 | 74% | 0.736 | 26% | 0.261 | S | S | * | . | trans | 61.6 | -32.9 | 177.8 | -62.1 | 178 | -177 | 172.7 | 1.8 | 116.2 | S259 Q260 E261 | S259-R263 PolarHBondContact O-N 2.91Å; Q260-R263 WeakPolarHBondContact O-CG 3.37Å; Q260-R263 PolarHBondContact O-N 2.72Å; E261-R263 PolarHBondContact O-N 2.95Å | ||
| 264 | T | 71.8 | Confident | 77.5 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -98 | -12.3 | -169.6 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | V212 G213 E221 V262 | V212-T264 CarbonylContact C-O 3.55Å; V212-T264 WeakPolarHBondContact CA-O 3.37Å; G213-T264 PolarHBondContact N-O 3.14Å; E221-T264 WeakPolarHBondContact OE1-CB 3.43Å; E221-T264 PolarHBondContact OE1-OG1 2.9Å; V262-T264 WeakPolarHBondContact CG1-OG1 3.23Å; V262-T264 PolarHBondContact O-N 2.87Å; V262-T264 PolarHBondContact O-OG1 3.14Å |
| 265 | R | 71.7 | Confident | 77.3 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -134.2 | 143.5 | -174.2 | -63.3 | -64.3 | -179.6 | 147.5 | 14.5 | 111.2 | G213 G215 V216 W217 E221 S259 V262 Q269 | G213-R265 PolarHBondContact O-NH1 2.82Å; G215-R265 PolarHBondContact O-NH1 3.16Å; G215-R265 PolarHBondContact O-NH2 3.23Å; V216-R265 PolarHBondContact O-NH2 2.93Å; W217-R265 HydrophobicContact CH2-CB 3.9Å; W217-R265 HydrophobicContact CH2-CG 3.66Å; W217-R265 HydrophobicContact CZ2-CB 4.14Å; W217-R265 HydrophobicContact CZ2-CG 3.8Å; W217-R265 HydrophobicContact CZ3-CG 4.04Å; E221-R265 IonicContact OE1-CZ 3.97Å; E221-R265 IonicContact OE1-NE 2.72Å; E221-R265 PolarHBondContact OE1-NE 2.8Å; E221-R265 IonicContact OE1-NH2 3.16Å; E221-R265 PolarHBondContact OE1-NH2 3.06Å; E221-R265 IonicContact OE2-CZ 2.79Å; E221-R265 IonicContact OE2-NE 3.34Å; E221-R265 PolarHBondContact OE2-NE 2.84Å; E221-R265 IonicContact OE2-NH2 2.64Å; E221-R265 PolarHBondContact OE2-NH2 3.38Å; S259-R265 PolarHBondContact OG-O 3.06Å; V262-R265 HydrophobicContact CG1-CB 3.99Å; V262-R265 HydrophobicContact CG1-CG 4.23Å; R265-Q269 HydrophobicContact CB-CB 4.19Å |
| 266 | S | 76.7 | Confident | 76.8 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -70.1 | 156.4 | 174.8 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | S259 V268 Q269 C270 | S259-S266 VanDerWaalsContact OG-C 3.25Å; S259-S266 WeakPolarHBondContact OG-CA 3.3Å; S266-V268 PolarHBondContact O-N 3.28Å; S266-V268 VanDerWaalsContact O-N 3.1Å; S266-Q269 WeakPolarHBondContact O-CA 3.43Å; S266-Q269 WeakPolarHBondContact O-CB 3.3Å; S266-Q269 PolarHBondContact O-N 3.49Å; S266-Q269 WeakPolarHBondContact OG-CG 3.45Å; S266-Q269 PolarHBondContact OG-N 2.79Å; S266-Q269 PolarHBondContact OG-OE1 3.02Å; S266-C270 PolarHBondContact O-N 2.84Å; S266-C270 PolarHBondContact O-SG 3.22Å | ||
| 267 | W | 75.2 | Confident | 76.4 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55 | -32.2 | 178.7 | 71.3 | -89.3 | 0 | 0 | 0 | 113.7 | W255 R256 S259 R271 | W255-W267 HydrophobicContact CB-CB 3.99Å; W255-W267 HydrophobicContact CB-CE3 4.1Å; W255-W267 WeakPolarHBondContact O-CB 3.49Å; R256-W267 HydrophobicContact CG-CB 4.5Å; R256-W267 HydrophobicContact CG-CG 4.41Å; S259-W267 PolarHBondContact OG-N 3.35Å; W267-R271 VanDerWaalsContact O-CB 3.23Å; W267-R271 WeakPolarHBondContact O-CB 3.45Å; W267-R271 PolarHBondContact O-N 2.99Å |
| 268 | V | 72.6 | Confident | 75.9 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.9 | -42 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 111 | S266 G272 | S266-V268 PolarHBondContact O-N 3.28Å; S266-V268 VanDerWaalsContact O-N 3.1Å; V268-G272 PolarHBondContact O-N 3.39Å |
| 269 | Q | 71.4 | Confident | 74.9 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -46.4 | 177.1 | -71.5 | 165.7 | -58.3 | 0 | 0 | 110.8 | G213 W217 R265 S266 R271 G272 K273 | G213-Q269 PolarHBondContact O-NE2 2.66Å; W217-Q269 HydrophobicContact CZ2-CB 4.22Å; R265-Q269 HydrophobicContact CB-CB 4.19Å; S266-Q269 WeakPolarHBondContact O-CA 3.43Å; S266-Q269 WeakPolarHBondContact O-CB 3.3Å; S266-Q269 PolarHBondContact O-N 3.49Å; S266-Q269 WeakPolarHBondContact OG-CG 3.45Å; S266-Q269 PolarHBondContact OG-N 2.79Å; S266-Q269 PolarHBondContact OG-OE1 3.02Å; Q269-R271 PolarHBondContact O-N 2.91Å; Q269-G272 PolarHBondContact O-N 3.45Å; Q269-K273 WeakPolarHBondContact O-CB 3.24Å; Q269-K273 PolarHBondContact O-N 3.34Å |
| 270 | C | 79.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 175.6 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | L225 W255 I258 S266 G272 K273 W274 | L225-C270 HydrophobicContact CD1-CB 3.71Å; W255-C270 HydrophobicContact CE3-CB 4.25Å; I258-C270 HydrophobicContact CG2-CB 4.37Å; S266-C270 PolarHBondContact O-N 2.84Å; S266-C270 PolarHBondContact O-SG 3.22Å; C270-G272 PolarHBondContact O-N 2.92Å; C270-K273 PolarHBondContact O-N 3.42Å; C270-W274 WeakPolarHBondContact O-CB 3.06Å; C270-W274 PolarHBondContact O-N 2.81Å |
| 271 | R | 80.1 | Confident | 72.7 | Confident | 113 Ų | 113 | 50.2 Ų | 50.2 | 43% | 0.426 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.8 | -51.5 | 175.5 | -176.7 | 174.7 | -177.1 | -85.2 | -2.6 | 111.3 | W255 W267 Q269 K273 W274 F275 | W255-R271 HydrophobicContact CD2-CB 3.58Å; W255-R271 HydrophobicContact CD2-CG 3.93Å; W255-R271 HydrophobicContact CE3-CB 3.84Å; W255-R271 HydrophobicContact CG-CB 3.98Å; W255-R271 HydrophobicContact CG-CG 4.29Å; W255-R271 HydrophobicContact CZ2-CB 4.25Å; W255-R271 HydrophobicContact CZ2-CG 3.95Å; W255-R271 HydrophobicContact CZ3-CB 4.31Å; W267-R271 VanDerWaalsContact O-CB 3.23Å; W267-R271 WeakPolarHBondContact O-CB 3.45Å; W267-R271 PolarHBondContact O-N 2.99Å; Q269-R271 PolarHBondContact O-N 2.91Å; R271-K273 VanDerWaalsContact C-N 3.35Å; R271-K273 PolarHBondContact O-N 3.2Å; R271-W274 PolarHBondContact O-N 3.08Å; R271-F275 HydrophobicContact CG-CD2 3.73Å; R271-F275 HydrophobicContact CG-CE2 3.67Å; R271-F275 WeakPolarHBondContact O-CD2 3.26Å; R271-F275 PolarHBondContact O-N 3.46Å |
| 272 | G | 75.4 | Confident | 71.5 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 42% | 0.423 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.2 | -43.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V268 Q269 C270 F276 | V268-G272 PolarHBondContact O-N 3.39Å; Q269-G272 PolarHBondContact O-N 3.45Å; C270-G272 PolarHBondContact O-N 2.92Å; G272-F276 WeakPolarHBondContact O-CB 3.24Å; G272-F276 PolarHBondContact O-N 3.4Å |
| 273 | K | 79.3 | Confident | 70.1 | Confident | 34 Ų | 34 | 50 Ų | 50 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 178.9 | -175.3 | 65.4 | 172.6 | -179.9 | 0 | 112.2 | W217 E222 L225 Q269 C270 R271 F275 F276 L277 | W217-K273 HydrophobicContact CD2-CB 4.2Å; W217-K273 HydrophobicContact CD2-CD 3.88Å; W217-K273 HydrophobicContact CD2-CG 3.64Å; W217-K273 HydrophobicContact CE3-CG 3.9Å; W217-K273 HydrophobicContact CG-CD 3.9Å; W217-K273 HydrophobicContact CG-CG 4.21Å; W217-K273 HydrophobicContact CH2-CB 3.81Å; W217-K273 HydrophobicContact CH2-CG 3.99Å; W217-K273 HydrophobicContact CZ2-CB 3.32Å; W217-K273 HydrophobicContact CZ2-CG 3.72Å; W217-K273 HydrophobicContact CZ3-CB 4.4Å; W217-K273 HydrophobicContact CZ3-CG 4.08Å; E222-K273 VanDerWaalsContact CD-CE 3.43Å; E222-K273 WeakPolarHBondContact OE1-CE 3.47Å; E222-K273 IonicContact OE1-NZ 3.83Å; E222-K273 PolarHBondContact OE1-NZ 2.67Å; L225-K273 HydrophobicContact CD2-CB 3.8Å; L225-K273 HydrophobicContact CD2-CG 3.74Å; Q269-K273 WeakPolarHBondContact O-CB 3.24Å; Q269-K273 PolarHBondContact O-N 3.34Å; C270-K273 PolarHBondContact O-N 3.42Å; R271-K273 VanDerWaalsContact C-N 3.35Å; R271-K273 PolarHBondContact O-N 3.2Å; K273-F275 PolarHBondContact O-N 2.9Å; K273-F276 WeakPolarHBondContact O-CB 3.03Å; K273-F276 PolarHBondContact O-N 2.97Å; K273-L277 HydrophobicContact CG-CD1 4.21Å; K273-L277 HydrophobicContact CG-CG 4.45Å; K273-L277 WeakPolarHBondContact O-CG 3.31Å; K273-L277 PolarHBondContact O-N 2.93Å |
| 274 | W | 79.6 | Confident | 68.6 | Low | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 175.1 | 176.8 | -108.5 | 0 | 0 | 0 | 111.8 | L225 V229 L233 L249 W255 C270 R271 F276 L277 L278 F399 | L225-W274 HydrophobicContact CD2-CB 4.39Å; V229-W274 HydrophobicContact CB-CD2 4.3Å; V229-W274 HydrophobicContact CB-CE3 4.09Å; V229-W274 HydrophobicContact CB-CH2 4.2Å; V229-W274 HydrophobicContact CB-CZ2 4.39Å; V229-W274 HydrophobicContact CB-CZ3 4.04Å; V229-W274 HydrophobicContact CG1-CD2 3.82Å; V229-W274 VanDerWaalsContact CG1-CE2 3.48Å; V229-W274 HydrophobicContact CG1-CE3 3.99Å; V229-W274 HydrophobicContact CG1-CH2 3.57Å; V229-W274 HydrophobicContact CG1-CZ2 3.36Å; V229-W274 HydrophobicContact CG1-CZ3 3.87Å; V229-W274 HydrophobicContact CG2-CD2 4.09Å; V229-W274 HydrophobicContact CG2-CE3 4.07Å; V229-W274 HydrophobicContact CG2-CG 4.45Å; L233-W274 HydrophobicContact CD1-CH2 4.37Å; L233-W274 HydrophobicContact CD1-CZ2 3.95Å; L249-W274 PolarHBondContact O-NE1 2.87Å; W255-W274 HydrophobicContact CH2-CB 3.56Å; W255-W274 AromaticContact CH2-CD1 3.39Å; W255-W274 AromaticContact CH2-CG 3.59Å; W255-W274 HydrophobicContact CH2-CG 3.59Å; W255-W274 AromaticContact CZ2-CD1 3.96Å; W255-W274 HydrophobicContact CZ3-CB 3.94Å; W255-W274 HydrophobicContact CZ3-CG 4.32Å; C270-W274 WeakPolarHBondContact O-CB 3.06Å; C270-W274 PolarHBondContact O-N 2.81Å; R271-W274 PolarHBondContact O-N 3.08Å; W274-F276 VanDerWaalsContact C-N 3.28Å; W274-F276 PolarHBondContact O-N 3.45Å; W274-L277 PolarHBondContact O-N 3.48Å; W274-L278 HydrophobicContact CD2-CD1 4.37Å; W274-L278 HydrophobicContact CD2-CG 4.17Å; W274-L278 HydrophobicContact CG-CD1 4.37Å; W274-L278 HydrophobicContact CG-CG 4.48Å; W274-L278 HydrophobicContact CH2-CD2 4.26Å; W274-L278 HydrophobicContact CZ2-CD1 4.09Å; W274-L278 HydrophobicContact CZ2-CD2 3.69Å; W274-L278 HydrophobicContact CZ2-CG 3.89Å; W274-L278 WeakPolarHBondContact O-CB 3.5Å; W274-L278 WeakPolarHBondContact O-CG 3.32Å; W274-L278 PolarHBondContact O-N 3.41Å; W274-F399 HydrophobicContact CH2-CZ 4.4Å |
| 275 | F | 74.3 | Confident | 67.1 | Low | 35 Ų | 35 | 52.9 Ų | 52.9 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -33.1 | 176.1 | -82.2 | -69.1 | 0 | 0 | 0 | 112.7 | W255 R271 K273 L278 D279 | W255-F275 HydrophobicContact CZ2-CE2 4.17Å; R271-F275 HydrophobicContact CG-CD2 3.73Å; R271-F275 HydrophobicContact CG-CE2 3.67Å; R271-F275 WeakPolarHBondContact O-CD2 3.26Å; R271-F275 PolarHBondContact O-N 3.46Å; K273-F275 PolarHBondContact O-N 2.9Å; F275-L278 HydrophobicContact CD1-CD1 4.45Å; F275-D279 WeakPolarHBondContact O-CB 3.27Å; F275-D279 PolarHBondContact O-N 3.32Å |
| 276 | F | 71.4 | Confident | 65.6 | Low | 102 Ų | 102 | 52.8 Ų | 52.8 | 45% | 0.447 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67 | -44.5 | 172.2 | 176.4 | -92.4 | 0 | 0 | 0 | 112.1 | G272 K273 W274 D279 H280 | G272-F276 WeakPolarHBondContact O-CB 3.24Å; G272-F276 PolarHBondContact O-N 3.4Å; K273-F276 WeakPolarHBondContact O-CB 3.03Å; K273-F276 PolarHBondContact O-N 2.97Å; W274-F276 VanDerWaalsContact C-N 3.28Å; W274-F276 PolarHBondContact O-N 3.45Å; F276-D279 PolarHBondContact O-N 2.63Å; F276-H280 VanDerWaalsContact O-CB 3.31Å; F276-H280 WeakPolarHBondContact O-CB 3.44Å; F276-H280 PolarHBondContact O-N 3.23Å |
| 277 | L | 70.1 | Confident | 64.1 | Low | 25 Ų | 25 | 57.1 Ų | 57.1 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.1 | -71.7 | 172.4 | 0 | 0 | 0 | 111.4 | L225 K226 K273 W274 H280 R281 | L225-L277 HydrophobicContact CD2-CD1 4.47Å; K226-L277 HydrophobicContact CG-CD1 4.47Å; K273-L277 HydrophobicContact CG-CD1 4.21Å; K273-L277 HydrophobicContact CG-CG 4.45Å; K273-L277 WeakPolarHBondContact O-CG 3.31Å; K273-L277 PolarHBondContact O-N 2.93Å; W274-L277 PolarHBondContact O-N 3.48Å; L277-H280 PolarHBondContact O-N 3Å; L277-R281 WeakPolarHBondContact O-CB 3.46Å; L277-R281 VanDerWaalsContact O-CG 3.29Å; L277-R281 WeakPolarHBondContact O-CG 3.29Å; L277-R281 PolarHBondContact O-N 3.14Å |
| 278 | L | 67.9 | Low | 62.7 | Low | 21 Ų | 21 | 54.8 Ų | 54.8 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -51.3 | 172.3 | -78.4 | -179.6 | 0 | 0 | 0 | 111.1 | W274 F275 H280 R281 M282 | W274-L278 HydrophobicContact CD2-CD1 4.37Å; W274-L278 HydrophobicContact CD2-CG 4.17Å; W274-L278 HydrophobicContact CG-CD1 4.37Å; W274-L278 HydrophobicContact CG-CG 4.48Å; W274-L278 HydrophobicContact CH2-CD2 4.26Å; W274-L278 HydrophobicContact CZ2-CD1 4.09Å; W274-L278 HydrophobicContact CZ2-CD2 3.69Å; W274-L278 HydrophobicContact CZ2-CG 3.89Å; W274-L278 WeakPolarHBondContact O-CB 3.5Å; W274-L278 WeakPolarHBondContact O-CG 3.32Å; W274-L278 PolarHBondContact O-N 3.41Å; F275-L278 HydrophobicContact CD1-CD1 4.45Å; L278-H280 VanDerWaalsContact C-N 3.31Å; L278-H280 PolarHBondContact O-N 2.92Å; L278-R281 PolarHBondContact O-N 3.44Å; L278-M282 WeakPolarHBondContact O-CB 3.32Å; L278-M282 WeakPolarHBondContact O-CG 3.47Å; L278-M282 PolarHBondContact O-N 3.43Å |
| 279 | D | 60.8 | Low | 61.6 | Low | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 178.8 | -174.2 | 63.2 | 0 | 0 | 0 | 111.1 | F275 F276 M282 T283 R336 | F275-D279 WeakPolarHBondContact O-CB 3.27Å; F275-D279 PolarHBondContact O-N 3.32Å; F276-D279 PolarHBondContact O-N 2.63Å; D279-M282 PolarHBondContact O-N 3.46Å; D279-T283 WeakPolarHBondContact O-CB 3.34Å; D279-T283 WeakPolarHBondContact O-CG2 3.28Å; D279-T283 PolarHBondContact O-N 3.34Å; D279-T283 PolarHBondContact O-OG1 3.1Å; D279-R336 IonicContact OD1-NH2 3.87Å; D279-R336 IonicContact OD2-CZ 3.67Å; D279-R336 IonicContact OD2-NH1 3.08Å; D279-R336 PolarHBondContact OD2-NH1 2.74Å; D279-R336 IonicContact OD2-NH2 2.71Å; D279-R336 PolarHBondContact OD2-NH2 3.48Å |
| 280 | H | 59.1 | Low | 60.4 | Low | 95 Ų | 95 | 56.3 Ų | 56.3 | 44% | 0.44 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 177.9 | -167.2 | -81.4 | 0 | 0 | 0 | 112.3 | F276 L277 L278 T283 F284 | F276-H280 VanDerWaalsContact O-CB 3.31Å; F276-H280 WeakPolarHBondContact O-CB 3.44Å; F276-H280 PolarHBondContact O-N 3.23Å; L277-H280 PolarHBondContact O-N 3Å; L278-H280 VanDerWaalsContact C-N 3.31Å; L278-H280 PolarHBondContact O-N 2.92Å; H280-T283 VanDerWaalsContact C-OG1 3.27Å; H280-T283 VanDerWaalsContact CA-OG1 3.22Å; H280-T283 WeakPolarHBondContact CA-OG1 3.45Å; H280-T283 PolarHBondContact O-N 2.85Å; H280-T283 PolarHBondContact O-OG1 2.95Å; H280-F284 VanDerWaalsContact O-CB 3.28Å; H280-F284 WeakPolarHBondContact O-CB 3.36Å; H280-F284 PolarHBondContact O-N 3.11Å |
| 281 | R | 58.8 | Low | 58.9 | Low | 65 Ų | 65 | 66.8 Ų | 66.8 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68 | -36.5 | 177.4 | -71.4 | -73 | -167.4 | 174.6 | 0.8 | 111.6 | L277 L278 F284 Y285 S401 | L277-R281 WeakPolarHBondContact O-CB 3.46Å; L277-R281 VanDerWaalsContact O-CG 3.29Å; L277-R281 WeakPolarHBondContact O-CG 3.29Å; L277-R281 PolarHBondContact O-N 3.14Å; L278-R281 PolarHBondContact O-N 3.44Å; R281-F284 PolarHBondContact O-N 3.4Å; R281-Y285 PolarHBondContact O-N 2.85Å; R281-S401 PolarHBondContact NH1-OG 3.27Å; R281-S401 VanDerWaalsContact NH1-OG 3.07Å; R281-S401 PolarHBondContact NH2-OG 2.86Å |
| 282 | M | 52.8 | Low | 57.7 | Low | 24 Ų | 24 | 62.3 Ų | 62.3 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.4 | -27.5 | 174.5 | -70 | -170 | 84.7 | 0 | 0 | 113 | R246 L278 D279 G286 Y393 | R246-M282 HydrophobicContact CG-CE 4.01Å; R246-M282 HydrophobicContact CG-SD 4.46Å; L278-M282 WeakPolarHBondContact O-CB 3.32Å; L278-M282 WeakPolarHBondContact O-CG 3.47Å; L278-M282 PolarHBondContact O-N 3.43Å; D279-M282 PolarHBondContact O-N 3.46Å; M282-G286 CarbonylContact O-C 3.56Å; M282-G286 VanDerWaalsContact O-C 3.3Å; M282-G286 WeakPolarHBondContact O-CA 3.49Å; M282-G286 PolarHBondContact O-N 2.87Å; M282-G286 VanDerWaalsContact O-N 3.1Å; M282-Y393 HydrophobicContact CE-CE2 4.32Å |
| 283 | T | 49.8 | Very low | 56.8 | Low | 39 Ų | 39 | 61.6 Ų | 61.6 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -78.1 | -26.4 | 169.2 | 40.7 | 0 | 0 | 0 | 0 | 113.3 | D279 H280 F289 | D279-T283 WeakPolarHBondContact O-CB 3.34Å; D279-T283 WeakPolarHBondContact O-CG2 3.28Å; D279-T283 PolarHBondContact O-N 3.34Å; D279-T283 PolarHBondContact O-OG1 3.1Å; H280-T283 VanDerWaalsContact C-OG1 3.27Å; H280-T283 VanDerWaalsContact CA-OG1 3.22Å; H280-T283 WeakPolarHBondContact CA-OG1 3.45Å; H280-T283 PolarHBondContact O-N 2.85Å; H280-T283 PolarHBondContact O-OG1 2.95Å; T283-F289 HydrophobicContact CG2-CB 3.5Å; T283-F289 HydrophobicContact CG2-CD2 3.92Å; T283-F289 HydrophobicContact CG2-CG 4.11Å |
| 284 | F | 42 | Very low | 56 | Low | 151 Ų | 151 | 65.1 Ų | 65.1 | 66% | 0.662 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -92.9 | -36.6 | -174.1 | -151.3 | -90.1 | 0 | 0 | 0 | 112.7 | H280 R281 | H280-F284 VanDerWaalsContact O-CB 3.28Å; H280-F284 WeakPolarHBondContact O-CB 3.36Å; H280-F284 PolarHBondContact O-N 3.11Å; R281-F284 PolarHBondContact O-N 3.4Å |
| 285 | Y | 40.3 | Very low | 55.3 | Low | 134 Ų | 134 | 65.1 Ų | 65.1 | 53% | 0.525 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -14.6 | 177.6 | -68.5 | -88.4 | 0 | 0 | 0 | 113.6 | R281 | R281-Y285 PolarHBondContact O-N 2.85Š|
| 286 | G | 40.6 | Very low | 55.1 | Low | 5 Ų | 5 | 64.9 Ų | 64.9 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -102.7 | 129.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | M282 V288 | M282-G286 CarbonylContact O-C 3.56Å; M282-G286 VanDerWaalsContact O-C 3.3Å; M282-G286 WeakPolarHBondContact O-CA 3.49Å; M282-G286 PolarHBondContact O-N 2.87Å; M282-G286 VanDerWaalsContact O-N 3.1Å; G286-V288 PolarHBondContact O-N 3.35Å |
| 287 | N | 45.8 | Very low | 55.2 | Low | 95 Ų | 95 | 63.7 Ų | 63.7 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -60.9 | -5.8 | 178.2 | -99.6 | -18.8 | 0 | 0 | 0 | 115.2 | F289 | N287-F289 VanDerWaalsContact C-N 3.3Å; N287-F289 PolarHBondContact O-N 3Å; N287-F289 VanDerWaalsContact O-N 3.1Å |
| 288 | V | 45.5 | Very low | 55.5 | Low | 39 Ų | 39 | 63.1 Ų | 63.1 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -72.7 | -12.5 | -161.8 | -171.9 | 0 | 0 | 0 | 0 | 114.7 | G286 V329 | G286-V288 PolarHBondContact O-N 3.35Å; V288-V329 HydrophobicContact CG1-CG1 4.4Å |
| 289 | F | 49.3 | Very low | 56 | Low | 52 Ų | 52 | 64.9 Ų | 64.9 | 23% | 0.228 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -139.4 | 20.6 | -176.5 | -62 | -61.8 | 0 | 0 | 0 | 115.7 | T283 N287 V329 M337 | T283-F289 HydrophobicContact CG2-CB 3.5Å; T283-F289 HydrophobicContact CG2-CD2 3.92Å; T283-F289 HydrophobicContact CG2-CG 4.11Å; N287-F289 VanDerWaalsContact C-N 3.3Å; N287-F289 PolarHBondContact O-N 3Å; N287-F289 VanDerWaalsContact O-N 3.1Å; F289-V329 HydrophobicContact CE1-CG1 4.36Å; F289-V329 HydrophobicContact CZ-CG1 3.74Å; F289-M337 HydrophobicContact CD1-CE 4.26Å; F289-M337 HydrophobicContact CE1-CE 3.75Å |
| 290 | N | 45.6 | Very low | 57 | Low | 87 Ų | 87 | 64.7 Ų | 64.7 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -70.5 | 159.7 | 169.4 | -82.5 | -40.8 | 0 | 0 | 0 | 111.6 | G292 | N290-G292 PolarHBondContact O-N 3.4Š|
| 291 | R | 48.9 | Very low | 58.1 | Low | 219 Ų | 219 | 62.3 Ų | 62.3 | 83% | 0.826 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -63.1 | 23.6 | 171.7 | -61.9 | 175.5 | 177.4 | 177 | -0.3 | 112.9 | F378 | R291-F378 WeakPolarHBondContact O-CE2 3.39Å; R291-F378 WeakPolarHBondContact O-CZ 3.25Å |
| 292 | G | 53.7 | Low | 59.3 | Low | 20 Ų | 20 | 59.2 Ų | 59.2 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -100.3 | -173.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | N290 E294 G295 Y296 | N290-G292 PolarHBondContact O-N 3.4Å; G292-E294 PolarHBondContact O-N 3.32Å; G292-G295 PolarHBondContact O-N 3.1Å; G292-G295 VanDerWaalsContact O-N 3.16Å; G292-Y296 WeakPolarHBondContact O-CD2 3.31Å; G292-Y296 PolarHBondContact O-N 2.85Å |
| 293 | A | 56.9 | Low | 60.7 | Low | 26 Ų | 26 | 58.2 Ų | 58.2 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.8 | -44.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G295 Y296 N297 L375 | A293-G295 VanDerWaalsContact C-N 3.33Å; A293-G295 PolarHBondContact O-N 2.73Å; A293-Y296 PolarHBondContact O-N 2.84Å; A293-Y296 VanDerWaalsContact O-N 3.08Å; A293-N297 PolarHBondContact O-N 3.17Å; A293-L375 HydrophobicContact CB-CD1 3.54Å; A293-L375 WeakPolarHBondContact O-CD1 3.45Å |
| 294 | E | 63.3 | Low | 62.3 | Low | 107 Ų | 107 | 57.6 Ų | 57.6 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 178.1 | -65.6 | 177.7 | -172.7 | 0 | 0 | 112.7 | G292 Y296 N297 A298 | G292-E294 PolarHBondContact O-N 3.32Å; E294-Y296 VanDerWaalsContact C-N 3.3Å; E294-Y296 PolarHBondContact O-N 3.44Å; E294-N297 PolarHBondContact O-N 3Å; E294-A298 WeakPolarHBondContact O-CB 3.16Å; E294-A298 PolarHBondContact O-N 2.85Å |
| 295 | G | 65.3 | Low | 64.2 | Low | 5 Ų | 5 | 51.7 Ų | 51.7 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.3 | -20.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | G292 A293 K299 | G292-G295 PolarHBondContact O-N 3.1Å; G292-G295 VanDerWaalsContact O-N 3.16Å; A293-G295 VanDerWaalsContact C-N 3.33Å; A293-G295 PolarHBondContact O-N 2.73Å; G295-K299 VanDerWaalsContact O-CD 3.25Å; G295-K299 WeakPolarHBondContact O-CD 3.37Å; G295-K299 VanDerWaalsContact O-CE 3.29Å; G295-K299 WeakPolarHBondContact O-CE 3.3Å; G295-K299 VanDerWaalsContact O-CG 3.3Å; G295-K299 WeakPolarHBondContact O-CG 3.4Å; G295-K299 PolarHBondContact O-NZ 3.04Å |
| 296 | Y | 68.8 | Low | 66.1 | Low | 31 Ų | 31 | 45.4 Ų | 45.4 | 12% | 0.122 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -81.5 | -43 | 168.6 | -71.9 | -71.5 | 0 | 0 | 0 | 110.8 | G292 A293 E294 A298 K299 I300 L371 R374 F378 | G292-Y296 WeakPolarHBondContact O-CD2 3.31Å; G292-Y296 PolarHBondContact O-N 2.85Å; A293-Y296 PolarHBondContact O-N 2.84Å; A293-Y296 VanDerWaalsContact O-N 3.08Å; E294-Y296 VanDerWaalsContact C-N 3.3Å; E294-Y296 PolarHBondContact O-N 3.44Å; Y296-A298 PolarHBondContact O-N 3.36Å; Y296-K299 PolarHBondContact O-N 2.89Å; Y296-I300 WeakPolarHBondContact O-CD1 3.2Å; Y296-I300 VanDerWaalsContact O-CG1 3.28Å; Y296-I300 WeakPolarHBondContact O-CG1 3.12Å; Y296-I300 PolarHBondContact O-N 3.37Å; Y296-L371 HydrophobicContact CD1-CB 4.33Å; Y296-L371 HydrophobicContact CD1-CD2 3.66Å; Y296-L371 HydrophobicContact CE1-CD2 3.9Å; Y296-R374 HydrophobicContact CD1-CB 4.33Å; Y296-R374 HydrophobicContact CE1-CB 3.91Å; Y296-F378 HydrophobicContact CD2-CD2 4.47Å; Y296-F378 AromaticContact CE2-CD2 3.9Å; Y296-F378 HydrophobicContact CE2-CD2 3.9Å; Y296-F378 AromaticContact CE2-CE2 3.92Å; Y296-F378 HydrophobicContact CE2-CE2 3.92Å |
| 297 | N | 73.9 | Confident | 67.9 | Low | 77 Ų | 77 | 48.5 Ų | 48.5 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.4 | -48.5 | 174.3 | -81.3 | -25.4 | 0 | 0 | 0 | 111.9 | A293 E294 K299 I300 S301 L375 | A293-N297 PolarHBondContact O-N 3.17Å; E294-N297 PolarHBondContact O-N 3Å; N297-K299 VanDerWaalsContact C-N 3.27Å; N297-K299 PolarHBondContact O-N 3.49Å; N297-I300 PolarHBondContact O-N 3.44Å; N297-I300 VanDerWaalsContact O-N 3.09Å; N297-S301 WeakPolarHBondContact O-CB 3.22Å; N297-S301 PolarHBondContact O-N 2.86Å; N297-S301 PolarHBondContact O-OG 3.4Å; N297-L375 WeakPolarHBondContact OD1-CD2 3.14Å |
| 298 | A | 76.3 | Confident | 69.4 | Low | 12 Ų | 12 | 49.4 Ų | 49.4 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -36.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | E294 Y296 L302 V326 M337 | E294-A298 WeakPolarHBondContact O-CB 3.16Å; E294-A298 PolarHBondContact O-N 2.85Å; Y296-A298 PolarHBondContact O-N 3.36Å; A298-L302 WeakPolarHBondContact O-CB 3.3Å; A298-L302 PolarHBondContact O-N 3.27Å; A298-V326 HydrophobicContact CB-CG1 3.87Å; A298-M337 HydrophobicContact CB-CE 4.42Å |
| 299 | K | 79.4 | Confident | 70.8 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.4 | -38.6 | 176.4 | -68.7 | 167 | -167.3 | 150.5 | 0 | 112.1 | G295 Y296 N297 I303 M337 L341 L371 | G295-K299 VanDerWaalsContact O-CD 3.25Å; G295-K299 WeakPolarHBondContact O-CD 3.37Å; G295-K299 VanDerWaalsContact O-CE 3.29Å; G295-K299 WeakPolarHBondContact O-CE 3.3Å; G295-K299 VanDerWaalsContact O-CG 3.3Å; G295-K299 WeakPolarHBondContact O-CG 3.4Å; G295-K299 PolarHBondContact O-NZ 3.04Å; Y296-K299 PolarHBondContact O-N 2.89Å; N297-K299 VanDerWaalsContact C-N 3.27Å; N297-K299 PolarHBondContact O-N 3.49Å; K299-I303 WeakPolarHBondContact O-CD1 3.31Å; K299-I303 VanDerWaalsContact O-CG1 3.26Å; K299-I303 WeakPolarHBondContact O-CG1 3.15Å; K299-I303 PolarHBondContact O-N 2.92Å; K299-I303 VanDerWaalsContact O-N 3.08Å; K299-M337 HydrophobicContact CB-SD 4.49Å; K299-M337 HydrophobicContact CG-CG 4.33Å; K299-M337 HydrophobicContact CG-SD 3.71Å; K299-L341 HydrophobicContact CB-CD1 4.44Å; K299-L341 HydrophobicContact CD-CD2 4.36Å; K299-L341 HydrophobicContact CG-CD1 4.35Å; K299-L371 HydrophobicContact CB-CD1 3.84Å; K299-L371 HydrophobicContact CD-CD2 4.35Å |
| 300 | I | 81.1 | Confident | 71.3 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.087 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67 | -48.3 | 177.6 | -67.9 | 161.9 | 0 | 0 | 0 | 109.7 | Y296 N297 L302 I303 S304 V368 L371 Q372 L375 | Y296-I300 WeakPolarHBondContact O-CD1 3.2Å; Y296-I300 VanDerWaalsContact O-CG1 3.28Å; Y296-I300 WeakPolarHBondContact O-CG1 3.12Å; Y296-I300 PolarHBondContact O-N 3.37Å; N297-I300 PolarHBondContact O-N 3.44Å; N297-I300 VanDerWaalsContact O-N 3.09Å; I300-L302 VanDerWaalsContact C-N 3.33Å; I300-L302 PolarHBondContact O-N 3.41Å; I300-I303 PolarHBondContact O-N 3.5Å; I300-S304 WeakPolarHBondContact O-CB 3.19Å; I300-S304 PolarHBondContact O-N 2.99Å; I300-S304 PolarHBondContact O-OG 2.93Å; I300-V368 HydrophobicContact CG1-CG1 4.33Å; I300-V368 HydrophobicContact CG2-CG1 3.93Å; I300-L371 HydrophobicContact CD1-CB 4Å; I300-L371 HydrophobicContact CG1-CB 3.77Å; I300-L371 HydrophobicContact CG1-CD1 4.31Å; I300-Q372 HydrophobicContact CD1-CB 4.46Å; I300-Q372 HydrophobicContact CD1-CG 3.7Å; I300-Q372 HydrophobicContact CG1-CG 4.36Å; I300-L375 HydrophobicContact CD1-CD2 4.19Å |
| 301 | S | 82.9 | Confident | 72.2 | Confident | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.4 | -60 | 0 | 0 | 0 | 0 | 111.4 | N297 I303 S304 T305 | N297-S301 WeakPolarHBondContact O-CB 3.22Å; N297-S301 PolarHBondContact O-N 2.86Å; N297-S301 PolarHBondContact O-OG 3.4Å; S301-I303 PolarHBondContact O-N 3.47Å; S301-S304 PolarHBondContact O-N 3.43Å; S301-T305 VanDerWaalsContact O-CB 3.31Å; S301-T305 WeakPolarHBondContact O-CB 3.49Å; S301-T305 PolarHBondContact O-N 2.76Å; S301-T305 PolarHBondContact O-OG1 3.2Å |
| 302 | L | 84.1 | Confident | 72.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -50.4 | 175.4 | 173.9 | 61.3 | 0 | 0 | 0 | 112 | A298 I300 L306 V322 V326 V334 M337 F338 L341 | A298-L302 WeakPolarHBondContact O-CB 3.3Å; A298-L302 PolarHBondContact O-N 3.27Å; I300-L302 VanDerWaalsContact C-N 3.33Å; I300-L302 PolarHBondContact O-N 3.41Å; L302-L306 HydrophobicContact CD1-CD1 3.82Å; L302-L306 HydrophobicContact CD1-CG 4.29Å; L302-L306 HydrophobicContact CG-CD1 4.16Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 WeakPolarHBondContact O-CD1 3.49Å; L302-L306 WeakPolarHBondContact O-CG 3.5Å; L302-L306 PolarHBondContact O-N 3.08Å; L302-L306 VanDerWaalsContact O-N 3.15Å; L302-V322 HydrophobicContact CD1-CG1 3.26Å; L302-V326 HydrophobicContact CB-CG2 3.77Å; L302-V326 HydrophobicContact CD1-CG2 4.27Å; L302-V334 HydrophobicContact CD1-CB 4.06Å; L302-V334 HydrophobicContact CD1-CG1 4.46Å; L302-M337 HydrophobicContact CD2-CB 3.82Å; L302-M337 HydrophobicContact CD2-CG 3.72Å; L302-M337 HydrophobicContact CD2-SD 3.6Å; L302-M337 VanDerWaalsContact CD2-SD 3.6Å; L302-F338 HydrophobicContact CD2-CB 4.21Å; L302-L341 HydrophobicContact CD2-CD1 4.16Å |
| 303 | I | 81.9 | Confident | 72.6 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.2 | -38.8 | -177.8 | -63.3 | 163.8 | 0 | 0 | 0 | 110.9 | K299 I300 S301 L306 Y307 L341 L363 Y364 V367 V368 L371 | K299-I303 WeakPolarHBondContact O-CD1 3.31Å; K299-I303 VanDerWaalsContact O-CG1 3.26Å; K299-I303 WeakPolarHBondContact O-CG1 3.15Å; K299-I303 PolarHBondContact O-N 2.92Å; K299-I303 VanDerWaalsContact O-N 3.08Å; I300-I303 PolarHBondContact O-N 3.5Å; S301-I303 PolarHBondContact O-N 3.47Å; I303-L306 PolarHBondContact O-N 3.1Å; I303-Y307 WeakPolarHBondContact O-CB 3.37Å; I303-Y307 PolarHBondContact O-N 3.45Å; I303-L341 HydrophobicContact CD1-CD1 4.13Å; I303-L341 HydrophobicContact CG1-CD1 4.22Å; I303-L363 HydrophobicContact CD1-CB 4.25Å; I303-L363 HydrophobicContact CG1-CB 4.32Å; I303-L363 HydrophobicContact CG2-CB 3.85Å; I303-Y364 HydrophobicContact CG2-CD2 4.26Å; I303-V367 HydrophobicContact CD1-CG1 4.46Å; I303-V368 HydrophobicContact CB-CG2 3.73Å; I303-V368 HydrophobicContact CD1-CG2 3.89Å; I303-V368 HydrophobicContact CG1-CG2 4.43Å; I303-V368 HydrophobicContact CG2-CG2 3.53Å; I303-L371 HydrophobicContact CD1-CD1 4.1Å |
| 304 | S | 82.3 | Confident | 72.8 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -45.2 | -179.1 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | I300 S301 L306 Y307 D308 | I300-S304 WeakPolarHBondContact O-CB 3.19Å; I300-S304 PolarHBondContact O-N 2.99Å; I300-S304 PolarHBondContact O-OG 2.93Å; S301-S304 PolarHBondContact O-N 3.43Å; S304-L306 VanDerWaalsContact C-N 3.29Å; S304-L306 PolarHBondContact O-N 3.44Å; S304-Y307 WeakPolarHBondContact O-CB 3.36Å; S304-Y307 PolarHBondContact O-N 3.14Å; S304-Y307 VanDerWaalsContact O-N 3.09Å; S304-D308 VanDerWaalsContact O-CG 3.3Å; S304-D308 PolarHBondContact O-N 3.43Å |
| 305 | T | 82.3 | Confident | 72.8 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 174.8 | -49 | 0 | 0 | 0 | 0 | 110.6 | S301 Y307 D308 M309 V322 A325 | S301-T305 VanDerWaalsContact O-CB 3.31Å; S301-T305 WeakPolarHBondContact O-CB 3.49Å; S301-T305 PolarHBondContact O-N 2.76Å; S301-T305 PolarHBondContact O-OG1 3.2Å; T305-Y307 VanDerWaalsContact C-N 3.3Å; T305-Y307 PolarHBondContact O-N 3.21Å; T305-D308 PolarHBondContact O-N 3.02Å; T305-M309 HydrophobicContact CG2-SD 4.25Å; T305-M309 WeakPolarHBondContact O-CG 3.44Å; T305-M309 PolarHBondContact O-N 2.94Å; T305-V322 HydrophobicContact CG2-CG2 4.45Å; T305-A325 HydrophobicContact CG2-CB 3.75Å |
| 306 | L | 80.4 | Confident | 72.8 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -32.8 | 178.1 | -73 | 173.9 | 0 | 0 | 0 | 113.1 | L302 I303 S304 I317 W319 V322 F338 I360 | L302-L306 HydrophobicContact CD1-CD1 3.82Å; L302-L306 HydrophobicContact CD1-CG 4.29Å; L302-L306 HydrophobicContact CG-CD1 4.16Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 WeakPolarHBondContact O-CD1 3.49Å; L302-L306 WeakPolarHBondContact O-CG 3.5Å; L302-L306 PolarHBondContact O-N 3.08Å; L302-L306 VanDerWaalsContact O-N 3.15Å; I303-L306 PolarHBondContact O-N 3.1Å; S304-L306 VanDerWaalsContact C-N 3.29Å; S304-L306 PolarHBondContact O-N 3.44Å; L306-I317 HydrophobicContact CD2-CD1 4.07Å; L306-I317 HydrophobicContact CD2-CG1 4.39Å; L306-I317 HydrophobicContact CD2-CG2 3.56Å; L306-W319 HydrophobicContact CD2-CZ3 4.47Å; L306-V322 HydrophobicContact CD2-CG1 4.3Å; L306-V322 HydrophobicContact CD2-CG2 3.71Å; L306-V322 HydrophobicContact CG-CG1 4.39Å; L306-V322 HydrophobicContact CG-CG2 4.45Å; L306-F338 HydrophobicContact CD1-CD2 3.42Å; L306-F338 VanDerWaalsContact CD1-CD2 3.42Å; L306-F338 HydrophobicContact CD1-CE2 3.7Å; L306-F338 HydrophobicContact CD1-CG 4.14Å; L306-I360 HydrophobicContact CB-CD1 4.16Å; L306-I360 HydrophobicContact CB-CG1 4.35Å; L306-I360 HydrophobicContact CB-CG2 4.03Å |
| 307 | Y | 78.1 | Confident | 72.9 | Confident | 71 Ų | 71 | 44.2 Ų | 44.2 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.8 | -47.2 | 176 | -177.3 | -98.3 | 0 | 0 | 0 | 111.1 | I303 S304 T305 M309 S310 I360 D361 Y364 H365 | I303-Y307 WeakPolarHBondContact O-CB 3.37Å; I303-Y307 PolarHBondContact O-N 3.45Å; S304-Y307 WeakPolarHBondContact O-CB 3.36Å; S304-Y307 PolarHBondContact O-N 3.14Å; S304-Y307 VanDerWaalsContact O-N 3.09Å; T305-Y307 VanDerWaalsContact C-N 3.3Å; T305-Y307 PolarHBondContact O-N 3.21Å; Y307-M309 VanDerWaalsContact C-N 3.27Å; Y307-M309 PolarHBondContact O-N 3.36Å; Y307-S310 PolarHBondContact O-N 3.21Å; Y307-S310 PolarHBondContact O-OG 3.45Å; Y307-I360 HydrophobicContact CD2-CG2 4.36Å; Y307-D361 WeakPolarHBondContact CD2-OD1 3.43Å; Y307-D361 WeakPolarHBondContact CE2-OD1 3.47Å; Y307-Y364 HydrophobicContact CD1-CD1 4.29Å; Y307-Y364 HydrophobicContact CD1-CD2 4.12Å; Y307-Y364 HydrophobicContact CD1-CE1 4.27Å; Y307-Y364 HydrophobicContact CD1-CE2 4.09Å; Y307-Y364 HydrophobicContact CD1-CG 4.22Å; Y307-Y364 HydrophobicContact CD2-CD1 4.18Å; Y307-Y364 HydrophobicContact CD2-CD2 4.34Å; Y307-Y364 AromaticContact CD2-CG 3.87Å; Y307-Y364 HydrophobicContact CD2-CG 3.87Å; Y307-Y364 HydrophobicContact CE1-CD1 4.28Å; Y307-Y364 HydrophobicContact CE1-CE1 4.16Å; Y307-Y364 HydrophobicContact CE2-CD1 4.17Å; Y307-Y364 HydrophobicContact CE2-CG 4.31Å; Y307-Y364 HydrophobicContact CG-CD1 4.23Å; Y307-Y364 AromaticContact CG-CD2 3.82Å; Y307-Y364 HydrophobicContact CG-CD2 3.82Å; Y307-Y364 HydrophobicContact CG-CE2 4.25Å; Y307-Y364 AromaticContact CG-CG 3.81Å; Y307-Y364 HydrophobicContact CG-CG 3.81Å; Y307-H365 AromaticContact CE2-NE2 3.97Å |
| 308 | D | 78.1 | Confident | 72.9 | Confident | 114 Ų | 114 | 44.1 Ų | 44.1 | 61% | 0.61 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.3 | -32.3 | -179.8 | -63.9 | -23.8 | 0 | 0 | 0 | 112.2 | S304 T305 S310 | S304-D308 VanDerWaalsContact O-CG 3.3Å; S304-D308 PolarHBondContact O-N 3.43Å; T305-D308 PolarHBondContact O-N 3.02Å; D308-S310 PolarHBondContact O-N 3.44Å; D308-S310 PolarHBondContact O-OG 3.45Å |
| 309 | M | 74.3 | Confident | 73 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 23% | 0.232 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.8 | 174.6 | -70.7 | 174.9 | 83.6 | 0 | 0 | 113.8 | T305 Y307 V311 N318 V322 | T305-M309 HydrophobicContact CG2-SD 4.25Å; T305-M309 WeakPolarHBondContact O-CG 3.44Å; T305-M309 PolarHBondContact O-N 2.94Å; Y307-M309 VanDerWaalsContact C-N 3.27Å; Y307-M309 PolarHBondContact O-N 3.36Å; M309-V311 VanDerWaalsContact C-N 3.28Å; M309-V311 HydrophobicContact CB-CG2 3.72Å; M309-V311 WeakPolarHBondContact O-CG2 3.33Å; M309-V311 PolarHBondContact O-N 3.35Å; M309-V311 VanDerWaalsContact O-N 3.13Å; M309-N318 HydrophobicContact CE-CB 3.96Å; M309-V322 HydrophobicContact CE-CG2 4.33Å; M309-V322 HydrophobicContact SD-CG2 3.51Å; M309-V322 VanDerWaalsContact SD-CG2 3.51Å |
| 310 | S | 60.3 | Low | 72.8 | Confident | 83 Ų | 83 | 49.6 Ų | 49.6 | 58% | 0.58 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 47.5 | 173 | -61.6 | 0 | 0 | 0 | 0 | 114.1 | Y307 D308 | Y307-S310 PolarHBondContact O-N 3.21Å; Y307-S310 PolarHBondContact O-OG 3.45Å; D308-S310 PolarHBondContact O-N 3.44Å; D308-S310 PolarHBondContact O-OG 3.45Å |
| 311 | V | 64.9 | Low | 72.4 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | trans | -90.9 | 126.5 | -173.8 | -166.5 | 0 | 0 | 0 | 0 | 111 | M309 D313 D316 I317 | M309-V311 VanDerWaalsContact C-N 3.28Å; M309-V311 HydrophobicContact CB-CG2 3.72Å; M309-V311 WeakPolarHBondContact O-CG2 3.33Å; M309-V311 PolarHBondContact O-N 3.35Å; M309-V311 VanDerWaalsContact O-N 3.13Å; V311-D313 WeakPolarHBondContact CG1-O 3.16Å; V311-D316 HydrophobicContact CG1-CB 3.34Å; V311-I317 HydrophobicContact CB-CG1 4.29Å; V311-I317 HydrophobicContact CG1-CG1 4.31Å; V311-I317 HydrophobicContact CG2-CG1 4.37Å | ||
| 312 | D | 51 | Low | 72.2 | Confident | 117 Ų | 117 | 51.6 Ų | 51.6 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -70.8 | -33.1 | 179.9 | -66.4 | -39.9 | 0 | 0 | 0 | 113.5 | A356 | D312-A356 PolarHBondContact O-N 3.05Š|
| 313 | D | 59.2 | Low | 71.7 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -124.1 | 141.5 | -179 | -163.9 | -47 | 0 | 0 | 0 | 112.6 | S86 V311 A315 D316 | S86-D313 VanDerWaalsContact CB-OD2 3.26Å; S86-D313 WeakPolarHBondContact CB-OD2 3.42Å; V311-D313 WeakPolarHBondContact CG1-O 3.16Å; D313-A315 PolarHBondContact O-N 3.34Å; D313-A315 VanDerWaalsContact O-N 3.14Å; D313-A315 WeakPolarHBondContact OD1-CB 3.14Å; D313-A315 PolarHBondContact OD1-N 3.17Å; D313-D316 PolarHBondContact O-N 2.79Å |
| 314 | I | 61.9 | Low | 71.3 | Confident | 61 Ų | 61 | 55 Ų | 55 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -60.6 | -27.6 | 177.9 | -58.1 | 178.7 | 0 | 0 | 0 | 110.6 | D316 I317 W319 A356 | I314-D316 VanDerWaalsContact C-N 3.27Å; I314-D316 PolarHBondContact O-N 2.92Å; I314-I317 HydrophobicContact CB-CD1 4.4Å; I314-I317 HydrophobicContact CG2-CD1 4.19Å; I314-I317 PolarHBondContact O-N 2.98Å; I314-W319 HydrophobicContact CG2-CZ2 4.37Å; I314-A356 HydrophobicContact CB-CB 4.43Å; I314-A356 HydrophobicContact CG1-CB 3.58Å |
| 315 | A | 62 | Low | 71 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -67.8 | -24.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D313 | D313-A315 PolarHBondContact O-N 3.34Å; D313-A315 VanDerWaalsContact O-N 3.14Å; D313-A315 WeakPolarHBondContact OD1-CB 3.14Å; D313-A315 PolarHBondContact OD1-N 3.17Å |
| 316 | D | 64.9 | Low | 70.5 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -92.1 | -0.6 | -177.3 | -68.7 | -24.8 | 0 | 0 | 0 | 111.8 | R81 V311 D313 I314 N318 | R81-D316 IonicContact CZ-OD2 3.11Å; R81-D316 IonicContact NE-OD1 2.66Å; R81-D316 IonicContact NH2-OD2 3.15Å; R81-D316 PolarHBondContact NH2-OD2 2.93Å; R81-D316 VanDerWaalsContact NH2-OD2 3.15Å; V311-D316 HydrophobicContact CG1-CB 3.34Å; D313-D316 PolarHBondContact O-N 2.79Å; I314-D316 VanDerWaalsContact C-N 3.27Å; I314-D316 PolarHBondContact O-N 2.92Å; D316-N318 PolarHBondContact O-N 3.43Å |
| 317 | I | 72.3 | Confident | 69.7 | Low | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.046 | 33% | 0.332 | C | S | . | . | trans | -72 | 118.7 | 176.2 | -60.5 | 170.6 | 0 | 0 | 0 | 110.5 | L306 V311 I314 W319 V322 I360 | L306-I317 HydrophobicContact CD2-CD1 4.07Å; L306-I317 HydrophobicContact CD2-CG1 4.39Å; L306-I317 HydrophobicContact CD2-CG2 3.56Å; V311-I317 HydrophobicContact CB-CG1 4.29Å; V311-I317 HydrophobicContact CG1-CG1 4.31Å; V311-I317 HydrophobicContact CG2-CG1 4.37Å; I314-I317 HydrophobicContact CB-CD1 4.4Å; I314-I317 HydrophobicContact CG2-CD1 4.19Å; I314-I317 PolarHBondContact O-N 2.98Å; I317-W319 HydrophobicContact CB-CD2 4.5Å; I317-W319 HydrophobicContact CB-CZ2 4.06Å; I317-W319 HydrophobicContact CD1-CH2 4.12Å; I317-W319 HydrophobicContact CD1-CZ2 3.77Å; I317-W319 HydrophobicContact CG2-CD2 3.75Å; I317-W319 HydrophobicContact CG2-CE3 4.09Å; I317-W319 HydrophobicContact CG2-CG 4.22Å; I317-W319 HydrophobicContact CG2-CH2 4.16Å; I317-W319 HydrophobicContact CG2-CZ2 3.83Å; I317-W319 HydrophobicContact CG2-CZ3 4.28Å; I317-W319 PolarHBondContact O-N 2.78Å; I317-W319 VanDerWaalsContact O-N 3.11Å; I317-W319 PolarHBondContact O-NE1 3Å; I317-V322 HydrophobicContact CG2-CG2 4.04Å; I317-I360 HydrophobicContact CD1-CD1 4.41Å | ||
| 318 | N | 73.9 | Confident | 68.7 | Low | 75 Ų | 75 | 60.4 Ų | 60.4 | 40% | 0.401 | 35% | 0.351 | S | S | . | . | trans | -77.1 | 91.3 | 169.6 | -174.5 | 0.3 | 0 | 0 | 0 | 111.4 | M309 D316 E320 E321 V322 | M309-N318 HydrophobicContact CE-CB 3.96Å; D316-N318 PolarHBondContact O-N 3.43Å; N318-E320 PolarHBondContact O-N 2.89Å; N318-E320 PolarHBondContact OD1-N 3.15Å; N318-E321 HydrophobicContact CB-CB 4.25Å; N318-E321 PolarHBondContact ND2-OE2 2.97Å; N318-E321 PolarHBondContact O-N 3.3Å; N318-V322 WeakPolarHBondContact O-CG2 3.48Å; N318-V322 PolarHBondContact O-N 2.77Å | ||
| 319 | W | 78.6 | Confident | 68 | Low | 37 Ų | 37 | 55.5 Ų | 55.5 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.6 | -13.3 | -177.9 | -62.3 | 96.3 | 0 | 0 | 0 | 115 | L306 I314 I317 V322 A323 P331 V334 Q335 F338 | L306-W319 HydrophobicContact CD2-CZ3 4.47Å; I314-W319 HydrophobicContact CG2-CZ2 4.37Å; I317-W319 HydrophobicContact CB-CD2 4.5Å; I317-W319 HydrophobicContact CB-CZ2 4.06Å; I317-W319 HydrophobicContact CD1-CH2 4.12Å; I317-W319 HydrophobicContact CD1-CZ2 3.77Å; I317-W319 HydrophobicContact CG2-CD2 3.75Å; I317-W319 HydrophobicContact CG2-CE3 4.09Å; I317-W319 HydrophobicContact CG2-CG 4.22Å; I317-W319 HydrophobicContact CG2-CH2 4.16Å; I317-W319 HydrophobicContact CG2-CZ2 3.83Å; I317-W319 HydrophobicContact CG2-CZ3 4.28Å; I317-W319 PolarHBondContact O-N 2.78Å; I317-W319 VanDerWaalsContact O-N 3.11Å; I317-W319 PolarHBondContact O-NE1 3Å; W319-V322 HydrophobicContact CE3-CG1 4.43Å; W319-A323 WeakPolarHBondContact O-CB 3.48Å; W319-A323 PolarHBondContact O-N 3.12Å; W319-A323 VanDerWaalsContact O-N 3.14Å; W319-P331 HydrophobicContact CB-CB 4.06Å; W319-V334 HydrophobicContact CE3-CG2 4.1Å; W319-Q335 HydrophobicContact CB-CG 4.33Å; W319-Q335 HydrophobicContact CD2-CG 3.28Å; W319-Q335 HydrophobicContact CE3-CB 4.41Å; W319-Q335 HydrophobicContact CE3-CG 3.44Å; W319-Q335 VanDerWaalsContact CE3-CG 3.44Å; W319-Q335 HydrophobicContact CG-CG 3.71Å; W319-Q335 HydrophobicContact CH2-CG 4.25Å; W319-Q335 HydrophobicContact CZ2-CG 4.13Å; W319-Q335 HydrophobicContact CZ3-CG 3.93Å; W319-F338 HydrophobicContact CH2-CB 4.08Å; W319-F338 AromaticContact CH2-CD1 3.65Å; W319-F338 HydrophobicContact CH2-CD1 3.65Å; W319-F338 HydrophobicContact CH2-CE1 4.26Å; W319-F338 AromaticContact CH2-CG 3.92Å; W319-F338 HydrophobicContact CH2-CG 3.92Å; W319-F338 HydrophobicContact CZ2-CD1 4.47Å; W319-F338 HydrophobicContact CZ3-CB 4.14Å; W319-F338 HydrophobicContact CZ3-CG 4.39Å |
| 320 | E | 73.6 | Confident | 67.6 | Low | 147 Ų | 147 | 54.5 Ų | 54.5 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -76.1 | -41.8 | 174 | -64.7 | -168.7 | 171 | 0 | 0 | 111.3 | N318 A323 A324 P331 | N318-E320 PolarHBondContact O-N 2.89Å; N318-E320 PolarHBondContact OD1-N 3.15Å; E320-A323 WeakPolarHBondContact O-CB 3.26Å; E320-A323 PolarHBondContact O-N 3.44Å; E320-A324 PolarHBondContact O-N 3.32Å; E320-P331 HydrophobicContact CG-CG 4.02Å |
| 321 | E | 74.1 | Confident | 68 | Low | 106 Ų | 106 | 52.7 Ų | 52.7 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 175.3 | -175.3 | 174.8 | -179.4 | 0 | 0 | 111.6 | N318 A323 A324 A325 | N318-E321 HydrophobicContact CB-CB 4.25Å; N318-E321 PolarHBondContact ND2-OE2 2.97Å; N318-E321 PolarHBondContact O-N 3.3Å; E321-A323 VanDerWaalsContact C-N 3.27Å; E321-A323 PolarHBondContact O-N 2.77Å; E321-A324 PolarHBondContact O-N 2.84Å; E321-A325 PolarHBondContact O-N 3.27Å |
| 322 | V | 77.5 | Confident | 68.1 | Low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | L302 T305 L306 M309 I317 N318 W319 V326 V334 | L302-V322 HydrophobicContact CD1-CG1 3.26Å; T305-V322 HydrophobicContact CG2-CG2 4.45Å; L306-V322 HydrophobicContact CD2-CG1 4.3Å; L306-V322 HydrophobicContact CD2-CG2 3.71Å; L306-V322 HydrophobicContact CG-CG1 4.39Å; L306-V322 HydrophobicContact CG-CG2 4.45Å; M309-V322 HydrophobicContact CE-CG2 4.33Å; M309-V322 HydrophobicContact SD-CG2 3.51Å; M309-V322 VanDerWaalsContact SD-CG2 3.51Å; I317-V322 HydrophobicContact CG2-CG2 4.04Å; N318-V322 WeakPolarHBondContact O-CG2 3.48Å; N318-V322 PolarHBondContact O-N 2.77Å; W319-V322 HydrophobicContact CE3-CG1 4.43Å; V322-V326 WeakPolarHBondContact O-CG2 3.33Å; V322-V326 PolarHBondContact O-N 3.38Å; V322-V334 HydrophobicContact CG1-CB 4.37Å; V322-V334 HydrophobicContact CG1-CG2 4.36Å |
| 323 | A | 73.8 | Confident | 68.8 | Low | 5 Ų | 5 | 52.8 Ų | 52.8 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W319 E320 E321 V329 P331 V334 | W319-A323 WeakPolarHBondContact O-CB 3.48Å; W319-A323 PolarHBondContact O-N 3.12Å; W319-A323 VanDerWaalsContact O-N 3.14Å; E320-A323 WeakPolarHBondContact O-CB 3.26Å; E320-A323 PolarHBondContact O-N 3.44Å; E321-A323 VanDerWaalsContact C-N 3.27Å; E321-A323 PolarHBondContact O-N 2.77Å; A323-V329 WeakPolarHBondContact CB-O 3.46Å; A323-V329 WeakPolarHBondContact O-CG2 3.08Å; A323-P331 HydrophobicContact CB-CG 4.03Å; A323-V334 HydrophobicContact CB-CG2 4.08Å |
| 324 | A | 74.3 | Confident | 69.6 | Low | 68 Ų | 68 | 51 Ų | 51 | 56% | 0.562 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.4 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E320 E321 V326 G327 | E320-A324 PolarHBondContact O-N 3.32Å; E321-A324 PolarHBondContact O-N 2.84Å; A324-V326 VanDerWaalsContact C-N 3.28Å; A324-V326 PolarHBondContact O-N 3.41Å; A324-G327 PolarHBondContact O-N 2.92Å |
| 325 | A | 74.8 | Confident | 70.1 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 44% | 0.438 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -26.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T305 E321 | T305-A325 HydrophobicContact CG2-CB 3.75Å; E321-A325 PolarHBondContact O-N 3.27Å |
| 326 | V | 71.9 | Confident | 70.6 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -86.5 | -14 | -178.8 | 175.4 | 0 | 0 | 0 | 0 | 112.8 | A298 L302 V322 A324 V329 V334 | A298-V326 HydrophobicContact CB-CG1 3.87Å; L302-V326 HydrophobicContact CB-CG2 3.77Å; L302-V326 HydrophobicContact CD1-CG2 4.27Å; V322-V326 WeakPolarHBondContact O-CG2 3.33Å; V322-V326 PolarHBondContact O-N 3.38Å; A324-V326 VanDerWaalsContact C-N 3.28Å; A324-V326 PolarHBondContact O-N 3.41Å; V326-V329 HydrophobicContact CB-CG2 3.82Å; V326-V329 HydrophobicContact CG1-CG2 3.77Å; V326-V334 HydrophobicContact CB-CG1 4.13Å; V326-V334 HydrophobicContact CG1-CG1 4.18Å; V326-V334 HydrophobicContact CG2-CG1 4.25Å |
| 327 | G | 63.3 | Low | 71 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | 107.9 | 81 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | A324 V329 | A324-G327 PolarHBondContact O-N 2.92Å; G327-V329 PolarHBondContact O-N 2.85Å |
| 328 | D | 57.4 | Low | 71.3 | Confident | 126 Ų | 126 | 49.9 Ų | 49.9 | 67% | 0.674 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 44.6 | 38.4 | 174 | -83.6 | -3.7 | 0 | 0 | 0 | 115.2 | R246 | R246-D328 VanDerWaalsContact CD-O 3.24Å; R246-D328 WeakPolarHBondContact CD-O 3.28Å; R246-D328 PolarHBondContact NE-O 2.88Å; R246-D328 PolarHBondContact NH1-O 2.82Å |
| 329 | V | 63.3 | Low | 71.3 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | trans | -96.5 | 152.4 | 173.9 | -73.7 | 0 | 0 | 0 | 0 | 110.3 | V288 F289 A323 V326 G327 V334 | V288-V329 HydrophobicContact CG1-CG1 4.4Å; F289-V329 HydrophobicContact CE1-CG1 4.36Å; F289-V329 HydrophobicContact CZ-CG1 3.74Å; A323-V329 WeakPolarHBondContact CB-O 3.46Å; A323-V329 WeakPolarHBondContact O-CG2 3.08Å; V326-V329 HydrophobicContact CB-CG2 3.82Å; V326-V329 HydrophobicContact CG1-CG2 3.77Å; G327-V329 PolarHBondContact O-N 2.85Å; V329-V334 HydrophobicContact CB-CG1 4.39Å; V329-V334 HydrophobicContact CG2-CG1 3.41Å; V329-V334 VanDerWaalsContact CG2-CG1 3.41Å | ||
| 330 | T | 65.9 | Low | 71.1 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | trans | -72.9 | 148.6 | 178.5 | 72.7 | 0 | 0 | 0 | 0 | 111.3 | W332 S333 V334 | T330-W332 PolarHBondContact O-N 3.21Å; T330-S333 WeakPolarHBondContact O-CA 3.45Å; T330-S333 WeakPolarHBondContact O-CB 3.4Å; T330-S333 PolarHBondContact O-N 2.97Å; T330-S333 PolarHBondContact OG1-N 2.97Å; T330-S333 PolarHBondContact OG1-OG 2.89Å; T330-V334 PolarHBondContact O-N 3.45Å | ||
| 331 | P | 69.3 | Low | 71.2 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -51.3 | -32.8 | 174.2 | -30.8 | 36.3 | 0 | 0 | 0 | 113.6 | W319 E320 A323 V334 Q335 | W319-P331 HydrophobicContact CB-CB 4.06Å; E320-P331 HydrophobicContact CG-CG 4.02Å; A323-P331 HydrophobicContact CB-CG 4.03Å; P331-V334 WeakPolarHBondContact O-CG2 3.29Å; P331-Q335 WeakPolarHBondContact O-CB 3.46Å; P331-Q335 WeakPolarHBondContact O-CG 3.4Å; P331-Q335 PolarHBondContact O-N 2.6Å |
| 332 | W | 67.8 | Low | 71.2 | Confident | 125 Ų | 125 | 44.4 Ų | 44.4 | 47% | 0.473 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.1 | -39 | 176.6 | -172.4 | 82.7 | 0 | 0 | 0 | 112.7 | T330 Q335 R336 | T330-W332 PolarHBondContact O-N 3.21Å; W332-Q335 PolarHBondContact O-N 2.67Å; W332-R336 WeakPolarHBondContact O-CB 3.38Å; W332-R336 PolarHBondContact O-N 3.05Å |
| 333 | S | 65.4 | Low | 70.7 | Confident | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | T330 R336 M337 | T330-S333 WeakPolarHBondContact O-CA 3.45Å; T330-S333 WeakPolarHBondContact O-CB 3.4Å; T330-S333 PolarHBondContact O-N 2.97Å; T330-S333 PolarHBondContact OG1-N 2.97Å; T330-S333 PolarHBondContact OG1-OG 2.89Å; S333-R336 PolarHBondContact O-N 3.16Å; S333-M337 WeakPolarHBondContact O-CB 3.15Å; S333-M337 PolarHBondContact O-N 2.91Å |
| 334 | V | 75.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.5 | -40 | 176.9 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | L302 W319 V322 A323 V326 V329 T330 P331 R336 M337 F338 | L302-V334 HydrophobicContact CD1-CB 4.06Å; L302-V334 HydrophobicContact CD1-CG1 4.46Å; W319-V334 HydrophobicContact CE3-CG2 4.1Å; V322-V334 HydrophobicContact CG1-CB 4.37Å; V322-V334 HydrophobicContact CG1-CG2 4.36Å; A323-V334 HydrophobicContact CB-CG2 4.08Å; V326-V334 HydrophobicContact CB-CG1 4.13Å; V326-V334 HydrophobicContact CG1-CG1 4.18Å; V326-V334 HydrophobicContact CG2-CG1 4.25Å; V329-V334 HydrophobicContact CB-CG1 4.39Å; V329-V334 HydrophobicContact CG2-CG1 3.41Å; V329-V334 VanDerWaalsContact CG2-CG1 3.41Å; T330-V334 PolarHBondContact O-N 3.45Å; P331-V334 WeakPolarHBondContact O-CG2 3.29Å; V334-R336 VanDerWaalsContact C-N 3.32Å; V334-R336 PolarHBondContact O-N 3Å; V334-M337 WeakPolarHBondContact O-CB 3.42Å; V334-M337 PolarHBondContact O-N 3Å; V334-F338 WeakPolarHBondContact O-CB 3.28Å; V334-F338 PolarHBondContact O-N 3.32Å |
| 335 | Q | 73.5 | Confident | 69.8 | Low | 65 Ų | 65 | 59.6 Ų | 59.6 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 172.7 | -77.9 | 174.7 | 8.5 | 0 | 0 | 111.9 | W319 P331 W332 M337 N339 | W319-Q335 HydrophobicContact CB-CG 4.33Å; W319-Q335 HydrophobicContact CD2-CG 3.28Å; W319-Q335 HydrophobicContact CE3-CB 4.41Å; W319-Q335 HydrophobicContact CE3-CG 3.44Å; W319-Q335 VanDerWaalsContact CE3-CG 3.44Å; W319-Q335 HydrophobicContact CG-CG 3.71Å; W319-Q335 HydrophobicContact CH2-CG 4.25Å; W319-Q335 HydrophobicContact CZ2-CG 4.13Å; W319-Q335 HydrophobicContact CZ3-CG 3.93Å; P331-Q335 WeakPolarHBondContact O-CB 3.46Å; P331-Q335 WeakPolarHBondContact O-CG 3.4Å; P331-Q335 PolarHBondContact O-N 2.6Å; W332-Q335 PolarHBondContact O-N 2.67Å; Q335-M337 VanDerWaalsContact C-N 3.34Å; Q335-N339 WeakPolarHBondContact O-CB 3.35Å; Q335-N339 VanDerWaalsContact O-CG 3.31Å; Q335-N339 PolarHBondContact O-N 2.79Å; Q335-N339 PolarHBondContact O-ND2 2.83Å |
| 336 | R | 72.3 | Confident | 69.4 | Low | 60 Ų | 60 | 57.5 Ų | 57.5 | 23% | 0.226 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 177.9 | -163.1 | 179 | 85.3 | 171.3 | 2.7 | 111.1 | D279 W332 S333 V334 R340 | D279-R336 IonicContact OD1-NH2 3.87Å; D279-R336 IonicContact OD2-CZ 3.67Å; D279-R336 IonicContact OD2-NH1 3.08Å; D279-R336 PolarHBondContact OD2-NH1 2.74Å; D279-R336 IonicContact OD2-NH2 2.71Å; D279-R336 PolarHBondContact OD2-NH2 3.48Å; W332-R336 WeakPolarHBondContact O-CB 3.38Å; W332-R336 PolarHBondContact O-N 3.05Å; S333-R336 PolarHBondContact O-N 3.16Å; V334-R336 VanDerWaalsContact C-N 3.32Å; V334-R336 PolarHBondContact O-N 3Å; R336-R340 WeakPolarHBondContact O-CG 3.26Å; R336-R340 PolarHBondContact O-N 2.84Å |
| 337 | M | 72.3 | Confident | 68.7 | Low | 24 Ų | 24 | 60.2 Ų | 60.2 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 176.3 | -170.3 | -175.4 | -56.5 | 0 | 0 | 111.3 | F289 A298 K299 L302 S333 V334 Q335 N339 R340 L341 | F289-M337 HydrophobicContact CD1-CE 4.26Å; F289-M337 HydrophobicContact CE1-CE 3.75Å; A298-M337 HydrophobicContact CB-CE 4.42Å; K299-M337 HydrophobicContact CB-SD 4.49Å; K299-M337 HydrophobicContact CG-CG 4.33Å; K299-M337 HydrophobicContact CG-SD 3.71Å; L302-M337 HydrophobicContact CD2-CB 3.82Å; L302-M337 HydrophobicContact CD2-CG 3.72Å; L302-M337 HydrophobicContact CD2-SD 3.6Å; L302-M337 VanDerWaalsContact CD2-SD 3.6Å; S333-M337 WeakPolarHBondContact O-CB 3.15Å; S333-M337 PolarHBondContact O-N 2.91Å; V334-M337 WeakPolarHBondContact O-CB 3.42Å; V334-M337 PolarHBondContact O-N 3Å; Q335-M337 VanDerWaalsContact C-N 3.34Å; M337-N339 PolarHBondContact O-N 2.86Å; M337-R340 PolarHBondContact O-N 3.36Å; M337-L341 HydrophobicContact CG-CD1 4.16Å; M337-L341 WeakPolarHBondContact O-CG 2.86Å; M337-L341 PolarHBondContact O-N 3.15Å |
| 338 | F | 78.8 | Confident | 68.3 | Low | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.3 | -47.5 | 175.9 | 178.4 | -106.7 | 0 | 0 | 0 | 111.8 | L302 L306 W319 V334 R340 L341 K342 I359 I360 L363 | L302-F338 HydrophobicContact CD2-CB 4.21Å; L306-F338 HydrophobicContact CD1-CD2 3.42Å; L306-F338 VanDerWaalsContact CD1-CD2 3.42Å; L306-F338 HydrophobicContact CD1-CE2 3.7Å; L306-F338 HydrophobicContact CD1-CG 4.14Å; W319-F338 HydrophobicContact CH2-CB 4.08Å; W319-F338 AromaticContact CH2-CD1 3.65Å; W319-F338 HydrophobicContact CH2-CD1 3.65Å; W319-F338 HydrophobicContact CH2-CE1 4.26Å; W319-F338 AromaticContact CH2-CG 3.92Å; W319-F338 HydrophobicContact CH2-CG 3.92Å; W319-F338 HydrophobicContact CZ2-CD1 4.47Å; W319-F338 HydrophobicContact CZ3-CB 4.14Å; W319-F338 HydrophobicContact CZ3-CG 4.39Å; V334-F338 WeakPolarHBondContact O-CB 3.28Å; V334-F338 PolarHBondContact O-N 3.32Å; F338-R340 VanDerWaalsContact C-N 3.31Å; F338-R340 PolarHBondContact O-N 2.84Å; F338-L341 PolarHBondContact O-N 3.27Å; F338-K342 WeakPolarHBondContact O-CB 3.4Å; F338-K342 PolarHBondContact O-N 2.77Å; F338-I359 HydrophobicContact CZ-CG2 4.24Å; F338-I360 HydrophobicContact CE2-CG1 4.12Å; F338-I360 HydrophobicContact CZ-CG1 4.21Å; F338-L363 HydrophobicContact CD2-CD1 4.27Å; F338-L363 HydrophobicContact CE2-CD1 3.79Å |
| 339 | N | 73 | Confident | 68.1 | Low | 75 Ų | 75 | 60.6 Ų | 60.6 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 178 | -77.5 | -52.7 | 0 | 0 | 0 | 112.6 | Q335 M337 Q343 | Q335-N339 WeakPolarHBondContact O-CB 3.35Å; Q335-N339 VanDerWaalsContact O-CG 3.31Å; Q335-N339 PolarHBondContact O-N 2.79Å; Q335-N339 PolarHBondContact O-ND2 2.83Å; M337-N339 PolarHBondContact O-N 2.86Å; N339-Q343 WeakPolarHBondContact O-CB 3.39Å; N339-Q343 WeakPolarHBondContact O-CG 3.38Å; N339-Q343 PolarHBondContact O-N 2.7Å |
| 340 | R | 75.3 | Confident | 67.4 | Low | 125 Ų | 125 | 67.4 Ų | 67.4 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 175.1 | -75 | 175.5 | 179.2 | 174.2 | -1.5 | 112.3 | R336 M337 F338 R344 | R336-R340 WeakPolarHBondContact O-CG 3.26Å; R336-R340 PolarHBondContact O-N 2.84Å; M337-R340 PolarHBondContact O-N 3.36Å; F338-R340 VanDerWaalsContact C-N 3.31Å; F338-R340 PolarHBondContact O-N 2.84Å; R340-R344 WeakPolarHBondContact O-CB 3.18Å; R340-R344 WeakPolarHBondContact O-CG 3.5Å; R340-R344 PolarHBondContact O-N 3.32Å |
| 341 | L | 74.8 | Confident | 66.5 | Low | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 176.2 | -73.7 | 166.3 | 0 | 0 | 0 | 110.8 | K299 L302 I303 M337 F338 R344 N345 L363 | K299-L341 HydrophobicContact CB-CD1 4.44Å; K299-L341 HydrophobicContact CD-CD2 4.36Å; K299-L341 HydrophobicContact CG-CD1 4.35Å; L302-L341 HydrophobicContact CD2-CD1 4.16Å; I303-L341 HydrophobicContact CD1-CD1 4.13Å; I303-L341 HydrophobicContact CG1-CD1 4.22Å; M337-L341 HydrophobicContact CG-CD1 4.16Å; M337-L341 WeakPolarHBondContact O-CG 2.86Å; M337-L341 PolarHBondContact O-N 3.15Å; F338-L341 PolarHBondContact O-N 3.27Å; L341-R344 PolarHBondContact O-N 3.35Å; L341-N345 WeakPolarHBondContact O-CB 3.37Å; L341-N345 PolarHBondContact O-N 3.24Å; L341-N345 PolarHBondContact O-ND2 3.07Å; L341-L363 HydrophobicContact CB-CD2 4.42Å |
| 342 | K | 74.4 | Confident | 65.4 | Low | 35 Ų | 35 | 73.7 Ų | 73.7 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.5 | -53.9 | 173.6 | 176.7 | 178.5 | 170.4 | 169.2 | 0 | 111.4 | F338 R344 V346 F349 I359 | F338-K342 WeakPolarHBondContact O-CB 3.4Å; F338-K342 PolarHBondContact O-N 2.77Å; K342-R344 VanDerWaalsContact C-N 3.33Å; K342-R344 PolarHBondContact O-N 2.91Å; K342-V346 WeakPolarHBondContact O-CB 3.35Å; K342-V346 PolarHBondContact O-N 3.04Å; K342-V346 VanDerWaalsContact O-N 3.13Å; K342-F349 HydrophobicContact CG-CB 4.41Å; K342-I359 HydrophobicContact CD-CD1 4.36Å; K342-I359 HydrophobicContact CD-CG2 4.3Å; K342-I359 HydrophobicContact CG-CG2 4.21Å |
| 343 | Q | 68.3 | Low | 64.4 | Low | 117 Ų | 117 | 73.6 Ų | 73.6 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.4 | -33.1 | -175.8 | -73.8 | 174.2 | -2.2 | 0 | 0 | 114 | N339 F349 | N339-Q343 WeakPolarHBondContact O-CB 3.39Å; N339-Q343 WeakPolarHBondContact O-CG 3.38Å; N339-Q343 PolarHBondContact O-N 2.7Å; Q343-F349 HydrophobicContact CB-CE1 4.26Å; Q343-F349 HydrophobicContact CB-CZ 4.13Å; Q343-F349 HydrophobicContact CG-CE1 4.25Å; Q343-F349 HydrophobicContact CG-CE2 4.01Å; Q343-F349 HydrophobicContact CG-CZ 3.65Å |
| 344 | R | 65.4 | Low | 63.5 | Low | 211 Ų | 211 | 78.4 Ų | 78.4 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -86.2 | -35.5 | -176.2 | -76.8 | -178.9 | 141.3 | 173.2 | -5 | 113.8 | R340 L341 K342 | R340-R344 WeakPolarHBondContact O-CB 3.18Å; R340-R344 WeakPolarHBondContact O-CG 3.5Å; R340-R344 PolarHBondContact O-N 3.32Å; L341-R344 PolarHBondContact O-N 3.35Å; K342-R344 VanDerWaalsContact C-N 3.33Å; K342-R344 PolarHBondContact O-N 2.91Å |
| 345 | N | 63.3 | Low | 62.4 | Low | 64 Ų | 64 | 80.2 Ų | 80.2 | 34% | 0.342 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -110 | -23.9 | -166.1 | -58.2 | -30.8 | 0 | 0 | 0 | 113.4 | L341 P347 F362 L363 V367 | L341-N345 WeakPolarHBondContact O-CB 3.37Å; L341-N345 PolarHBondContact O-N 3.24Å; L341-N345 PolarHBondContact O-ND2 3.07Å; N345-P347 VanDerWaalsContact O-CD 3.28Å; N345-P347 WeakPolarHBondContact O-CD 3.48Å; N345-F362 VanDerWaalsContact O-CE1 3.24Å; N345-F362 WeakPolarHBondContact O-CE1 3.26Å; N345-L363 HydrophobicContact CB-CD2 4.18Å; N345-V367 HydrophobicContact CB-CG2 3.7Å; N345-V367 WeakPolarHBondContact ND2-CG1 3.48Å |
| 346 | V | 65.5 | Low | 61.6 | Low | 8 Ų | 8 | 77.2 Ų | 77.2 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -95.2 | 108.1 | -176.5 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | K342 F349 L352 I359 F362 L363 | K342-V346 WeakPolarHBondContact O-CB 3.35Å; K342-V346 PolarHBondContact O-N 3.04Å; K342-V346 VanDerWaalsContact O-N 3.13Å; V346-F349 HydrophobicContact CB-CB 4.38Å; V346-F349 HydrophobicContact CG1-CB 4.3Å; V346-F349 WeakPolarHBondContact O-CD1 3.4Å; V346-L352 HydrophobicContact CG1-CD1 4.16Å; V346-I359 HydrophobicContact CG2-CG2 4.35Å; V346-F362 HydrophobicContact CB-CD1 4.46Å; V346-F362 HydrophobicContact CG1-CD1 4.46Å; V346-F362 HydrophobicContact CG2-CD1 3.86Å; V346-F362 HydrophobicContact CG2-CE1 4.3Å; V346-L363 HydrophobicContact CG2-CD2 3.79Å; V346-L363 HydrophobicContact CG2-CG 4.05Å |
| 347 | P | 58.2 | Low | 60.9 | Low | 75 Ų | 75 | 77.3 Ų | 77.3 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 145 | 178.7 | 26.6 | -32.7 | 0 | 0 | 0 | 111.1 | N345 F349 F362 | N345-P347 VanDerWaalsContact O-CD 3.28Å; N345-P347 WeakPolarHBondContact O-CD 3.48Å; P347-F349 PolarHBondContact O-N 3.31Å; P347-F349 VanDerWaalsContact O-N 3.14Å; P347-F362 HydrophobicContact CG-CZ 4.48Å |
| 348 | H | 55.5 | Low | 60.4 | Low | 136 Ų | 136 | 80.9 Ų | 80.9 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 25.8 | 177.2 | -52.2 | 100.8 | 0 | 0 | 0 | 116.1 | H350 L351 L352 | H348-H350 PolarHBondContact O-N 3.1Å; H348-L351 HydrophobicContact CB-CB 4.49Å; H348-L351 HydrophobicContact CB-CD1 4.38Å; H348-L351 PolarHBondContact O-N 2.99Å; H348-L352 PolarHBondContact O-N 3.34Å |
| 349 | F | 51.7 | Low | 60 | Low | 41 Ų | 41 | 81.1 Ų | 81.1 | 18% | 0.18 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -14.2 | -179.5 | 74 | -92.3 | 0 | 0 | 0 | 115.6 | K342 Q343 V346 P347 | K342-F349 HydrophobicContact CG-CB 4.41Å; Q343-F349 HydrophobicContact CB-CE1 4.26Å; Q343-F349 HydrophobicContact CB-CZ 4.13Å; Q343-F349 HydrophobicContact CG-CE1 4.25Å; Q343-F349 HydrophobicContact CG-CE2 4.01Å; Q343-F349 HydrophobicContact CG-CZ 3.65Å; V346-F349 HydrophobicContact CB-CB 4.38Å; V346-F349 HydrophobicContact CG1-CB 4.3Å; V346-F349 WeakPolarHBondContact O-CD1 3.4Å; P347-F349 PolarHBondContact O-N 3.31Å; P347-F349 VanDerWaalsContact O-N 3.14Å |
| 350 | H | 48.8 | Very low | 60 | Low | 154 Ų | 154 | 77.8 Ų | 77.8 | 71% | 0.713 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -21.8 | 174.5 | -59 | -73.1 | 0 | 0 | 0 | 114 | H348 | H348-H350 PolarHBondContact O-N 3.1Š|
| 351 | L | 47.7 | Very low | 60 | Low | 136 Ų | 136 | 74.2 Ų | 74.2 | 71% | 0.712 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -12.7 | -176.3 | -66.9 | 166.6 | 0 | 0 | 0 | 112.5 | H348 S353 | H348-L351 HydrophobicContact CB-CB 4.49Å; H348-L351 HydrophobicContact CB-CD1 4.38Å; H348-L351 PolarHBondContact O-N 2.99Å; L351-S353 PolarHBondContact O-N 3.31Å |
| 352 | L | 47 | Very low | 60.1 | Low | 67 Ų | 67 | 77 Ų | 77 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | trans | -74.4 | 112.2 | 178.7 | -64.3 | 174.3 | 0 | 0 | 0 | 109.4 | V346 H348 F354 | V346-L352 HydrophobicContact CG1-CD1 4.16Å; H348-L352 PolarHBondContact O-N 3.34Å; L352-F354 HydrophobicContact CB-CB 4.42Å; L352-F354 HydrophobicContact CB-CD2 3.88Å; L352-F354 HydrophobicContact CD2-CD2 3.54Å; L352-F354 HydrophobicContact CD2-CE2 3.93Å; L352-F354 HydrophobicContact CG-CD2 4.29Å; L352-F354 PolarHBondContact O-N 3.11Å | ||
| 353 | S | 45.3 | Very low | 60.2 | Low | 124 Ų | 124 | 75.3 Ų | 75.3 | 87% | 0.867 | 38% | 0.382 | S | S | * | . | trans | -76.9 | 12.4 | 163.4 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | L351 | L351-S353 PolarHBondContact O-N 3.31Š| ||
| 354 | F | 46.8 | Very low | 60.8 | Low | 112 Ų | 112 | 73.2 Ų | 73.2 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | trans | -92.4 | 140.5 | -167.2 | -62.5 | -83.5 | 0 | 0 | 0 | 111.5 | L352 E358 | L352-F354 HydrophobicContact CB-CB 4.42Å; L352-F354 HydrophobicContact CB-CD2 3.88Å; L352-F354 HydrophobicContact CD2-CD2 3.54Å; L352-F354 HydrophobicContact CD2-CE2 3.93Å; L352-F354 HydrophobicContact CG-CD2 4.29Å; L352-F354 PolarHBondContact O-N 3.11Å; F354-E358 HydrophobicContact CB-CB 4.29Å; F354-E358 HydrophobicContact CB-CG 4.39Å; F354-E358 WeakPolarHBondContact CB-OE2 3.47Å; F354-E358 VanDerWaalsContact CD1-OE1 3.25Å; F354-E358 WeakPolarHBondContact CD1-OE1 3.43Å; F354-E358 WeakPolarHBondContact CD1-OE2 3.38Å; F354-E358 WeakPolarHBondContact CG-OE2 3.31Å | ||
| 355 | G | 53.5 | Low | 61.3 | Low | 39 Ų | 39 | 68.1 Ų | 68.1 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | trans | -57.6 | 174.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L357 E358 | G355-L357 PolarHBondContact O-N 3.08Å; G355-E358 PolarHBondContact O-N 3.07Å | ||
| 356 | A | 54.8 | Low | 61.8 | Low | 2 Ų | 2 | 73.7 Ų | 73.7 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.6 | -33.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D312 I314 E358 I359 I360 | D312-A356 PolarHBondContact O-N 3.05Å; I314-A356 HydrophobicContact CB-CB 4.43Å; I314-A356 HydrophobicContact CG1-CB 3.58Å; A356-E358 PolarHBondContact O-N 3.06Å; A356-I359 PolarHBondContact O-N 2.95Å; A356-I360 HydrophobicContact CB-CD1 4.2Å; A356-I360 WeakPolarHBondContact O-CB 3.24Å; A356-I360 WeakPolarHBondContact O-CD1 3.43Å; A356-I360 WeakPolarHBondContact O-CG1 3.47Å; A356-I360 PolarHBondContact O-N 3.05Å |
| 357 | L | 57.6 | Low | 62.2 | Low | 62 Ų | 62 | 74 Ų | 74 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -53.7 | -53.8 | -179.6 | -149.6 | 98.8 | 0 | 0 | 0 | 112.5 | G355 I359 I360 D361 | G355-L357 PolarHBondContact O-N 3.08Å; L357-I359 VanDerWaalsContact C-N 3.32Å; L357-I359 PolarHBondContact O-N 2.85Å; L357-I360 PolarHBondContact O-N 3.29Å; L357-I360 VanDerWaalsContact O-N 3.15Å; L357-D361 WeakPolarHBondContact O-CB 3.32Å; L357-D361 PolarHBondContact O-N 3.38Å |
| 358 | E | 63 | Low | 63.2 | Low | 99 Ų | 99 | 70.6 Ų | 70.6 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.7 | -31 | -174.7 | -66.3 | -176.6 | -158.8 | 0 | 0 | 113.4 | F354 G355 A356 F362 | F354-E358 HydrophobicContact CB-CB 4.29Å; F354-E358 HydrophobicContact CB-CG 4.39Å; F354-E358 WeakPolarHBondContact CB-OE2 3.47Å; F354-E358 VanDerWaalsContact CD1-OE1 3.25Å; F354-E358 WeakPolarHBondContact CD1-OE1 3.43Å; F354-E358 WeakPolarHBondContact CD1-OE2 3.38Å; F354-E358 WeakPolarHBondContact CG-OE2 3.31Å; G355-E358 PolarHBondContact O-N 3.07Å; A356-E358 PolarHBondContact O-N 3.06Å; E358-F362 VanDerWaalsContact O-CB 3.31Å; E358-F362 WeakPolarHBondContact O-CB 3.4Å; E358-F362 PolarHBondContact O-N 3.27Å |
| 359 | I | 70.1 | Confident | 64.2 | Low | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 174.4 | -67 | 171.5 | 0 | 0 | 0 | 109.9 | F338 K342 V346 A356 L357 L363 | F338-I359 HydrophobicContact CZ-CG2 4.24Å; K342-I359 HydrophobicContact CD-CD1 4.36Å; K342-I359 HydrophobicContact CD-CG2 4.3Å; K342-I359 HydrophobicContact CG-CG2 4.21Å; V346-I359 HydrophobicContact CG2-CG2 4.35Å; A356-I359 PolarHBondContact O-N 2.95Å; L357-I359 VanDerWaalsContact C-N 3.32Å; L357-I359 PolarHBondContact O-N 2.85Å; I359-L363 HydrophobicContact CG2-CD1 4.24Å; I359-L363 WeakPolarHBondContact O-CB 3.47Å; I359-L363 VanDerWaalsContact O-CG 3.24Å; I359-L363 WeakPolarHBondContact O-CG 3.46Å; I359-L363 PolarHBondContact O-N 2.87Å |
| 360 | I | 72.5 | Confident | 65.2 | Low | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69 | -43 | 179.9 | -67 | 164.8 | 0 | 0 | 0 | 109.9 | L306 Y307 I317 F338 A356 L357 F362 L363 Y364 | L306-I360 HydrophobicContact CB-CD1 4.16Å; L306-I360 HydrophobicContact CB-CG1 4.35Å; L306-I360 HydrophobicContact CB-CG2 4.03Å; Y307-I360 HydrophobicContact CD2-CG2 4.36Å; I317-I360 HydrophobicContact CD1-CD1 4.41Å; F338-I360 HydrophobicContact CE2-CG1 4.12Å; F338-I360 HydrophobicContact CZ-CG1 4.21Å; A356-I360 HydrophobicContact CB-CD1 4.2Å; A356-I360 WeakPolarHBondContact O-CB 3.24Å; A356-I360 WeakPolarHBondContact O-CD1 3.43Å; A356-I360 WeakPolarHBondContact O-CG1 3.47Å; A356-I360 PolarHBondContact O-N 3.05Å; L357-I360 PolarHBondContact O-N 3.29Å; L357-I360 VanDerWaalsContact O-N 3.15Å; I360-F362 PolarHBondContact O-N 3.5Å; I360-L363 CarbonylContact O-C 3.53Å; I360-L363 PolarHBondContact O-N 3.27Å; I360-Y364 WeakPolarHBondContact O-CB 3.49Å; I360-Y364 PolarHBondContact O-N 3.4Å |
| 361 | D | 74.8 | Confident | 66.3 | Low | 51 Ų | 51 | 61.5 Ų | 61.5 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 173.8 | -80.3 | 14.6 | 0 | 0 | 0 | 111.8 | Y307 L357 L363 Y364 H365 | Y307-D361 WeakPolarHBondContact CD2-OD1 3.43Å; Y307-D361 WeakPolarHBondContact CE2-OD1 3.47Å; L357-D361 WeakPolarHBondContact O-CB 3.32Å; L357-D361 PolarHBondContact O-N 3.38Å; D361-L363 PolarHBondContact O-N 3.22Å; D361-Y364 PolarHBondContact O-N 2.96Å; D361-H365 WeakPolarHBondContact O-CB 3.28Å; D361-H365 PolarHBondContact O-CD2 3.33Å; D361-H365 VanDerWaalsContact O-CD2 3.22Å; D361-H365 PolarHBondContact O-N 3.21Å |
| 362 | F | 77.5 | Confident | 67.6 | Low | 72 Ų | 72 | 58.9 Ų | 58.9 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.4 | -178.4 | -83.7 | 0 | 0 | 0 | 111.2 | N345 V346 P347 E358 I360 Y364 R366 V367 | N345-F362 VanDerWaalsContact O-CE1 3.24Å; N345-F362 WeakPolarHBondContact O-CE1 3.26Å; V346-F362 HydrophobicContact CB-CD1 4.46Å; V346-F362 HydrophobicContact CG1-CD1 4.46Å; V346-F362 HydrophobicContact CG2-CD1 3.86Å; V346-F362 HydrophobicContact CG2-CE1 4.3Å; P347-F362 HydrophobicContact CG-CZ 4.48Å; E358-F362 VanDerWaalsContact O-CB 3.31Å; E358-F362 WeakPolarHBondContact O-CB 3.4Å; E358-F362 PolarHBondContact O-N 3.27Å; I360-F362 PolarHBondContact O-N 3.5Å; F362-Y364 VanDerWaalsContact C-N 3.33Å; F362-Y364 PolarHBondContact O-N 3.47Å; F362-R366 HydrophobicContact CD2-CG 4.1Å; F362-R366 HydrophobicContact CE1-CB 4.25Å; F362-R366 HydrophobicContact CE2-CB 4.44Å; F362-R366 HydrophobicContact CE2-CG 3.95Å; F362-R366 HydrophobicContact CZ-CB 4.22Å; F362-R366 HydrophobicContact CZ-CG 4.23Å; F362-R366 VanDerWaalsContact O-CB 3.25Å; F362-R366 WeakPolarHBondContact O-CB 3.49Å; F362-R366 PolarHBondContact O-N 3.46Å; F362-V367 HydrophobicContact CE1-CG2 4.48Å |
| 363 | L | 77.6 | Confident | 68.8 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -63 | -40.8 | 177.4 | -70.6 | 175.2 | 0 | 0 | 0 | 111.1 | I303 F338 L341 N345 V346 I359 I360 D361 V367 V368 | I303-L363 HydrophobicContact CD1-CB 4.25Å; I303-L363 HydrophobicContact CG1-CB 4.32Å; I303-L363 HydrophobicContact CG2-CB 3.85Å; F338-L363 HydrophobicContact CD2-CD1 4.27Å; F338-L363 HydrophobicContact CE2-CD1 3.79Å; L341-L363 HydrophobicContact CB-CD2 4.42Å; N345-L363 HydrophobicContact CB-CD2 4.18Å; V346-L363 HydrophobicContact CG2-CD2 3.79Å; V346-L363 HydrophobicContact CG2-CG 4.05Å; I359-L363 HydrophobicContact CG2-CD1 4.24Å; I359-L363 WeakPolarHBondContact O-CB 3.47Å; I359-L363 VanDerWaalsContact O-CG 3.24Å; I359-L363 WeakPolarHBondContact O-CG 3.46Å; I359-L363 PolarHBondContact O-N 2.87Å; I360-L363 CarbonylContact O-C 3.53Å; I360-L363 PolarHBondContact O-N 3.27Å; D361-L363 PolarHBondContact O-N 3.22Å; L363-V367 HydrophobicContact CD2-CB 4.32Å; L363-V367 HydrophobicContact CD2-CG2 3.78Å; L363-V367 WeakPolarHBondContact O-CA 3.15Å; L363-V367 WeakPolarHBondContact O-CB 3.31Å; L363-V367 PolarHBondContact O-N 3.03Å; L363-V368 PolarHBondContact O-N 3.05Å |
| 364 | Y | 81.1 | Confident | 69.7 | Low | 73 Ų | 73 | 63.5 Ų | 63.5 | 29% | 0.286 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -67.4 | -55 | 179.1 | -171.3 | -92.6 | 0 | 0 | 0 | 111.1 | I303 Y307 I360 D361 F362 V368 P369 | I303-Y364 HydrophobicContact CG2-CD2 4.26Å; Y307-Y364 HydrophobicContact CD1-CD1 4.29Å; Y307-Y364 HydrophobicContact CD1-CD2 4.12Å; Y307-Y364 HydrophobicContact CD1-CE1 4.27Å; Y307-Y364 HydrophobicContact CD1-CE2 4.09Å; Y307-Y364 HydrophobicContact CD1-CG 4.22Å; Y307-Y364 HydrophobicContact CD2-CD1 4.18Å; Y307-Y364 HydrophobicContact CD2-CD2 4.34Å; Y307-Y364 AromaticContact CD2-CG 3.87Å; Y307-Y364 HydrophobicContact CD2-CG 3.87Å; Y307-Y364 HydrophobicContact CE1-CD1 4.28Å; Y307-Y364 HydrophobicContact CE1-CE1 4.16Å; Y307-Y364 HydrophobicContact CE2-CD1 4.17Å; Y307-Y364 HydrophobicContact CE2-CG 4.31Å; Y307-Y364 HydrophobicContact CG-CD1 4.23Å; Y307-Y364 AromaticContact CG-CD2 3.82Å; Y307-Y364 HydrophobicContact CG-CD2 3.82Å; Y307-Y364 HydrophobicContact CG-CE2 4.25Å; Y307-Y364 AromaticContact CG-CG 3.81Å; Y307-Y364 HydrophobicContact CG-CG 3.81Å; I360-Y364 WeakPolarHBondContact O-CB 3.49Å; I360-Y364 PolarHBondContact O-N 3.4Å; D361-Y364 PolarHBondContact O-N 2.96Å; F362-Y364 VanDerWaalsContact C-N 3.33Å; F362-Y364 PolarHBondContact O-N 3.47Å; Y364-V368 HydrophobicContact CD2-CG2 4.34Å; Y364-V368 VanDerWaalsContact O-CB 3.3Å; Y364-V368 WeakPolarHBondContact O-CB 3.45Å; Y364-P369 VanDerWaalsContact O-CD 3.28Å; Y364-P369 WeakPolarHBondContact O-CD 3.35Å |
| 365 | H | 75.4 | Confident | 70.8 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 49% | 0.486 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -76.1 | -28.3 | -174.3 | -67.2 | -61.8 | 0 | 0 | 0 | 114.5 | Y307 D361 P369 | Y307-H365 AromaticContact CE2-NE2 3.97Å; D361-H365 WeakPolarHBondContact O-CB 3.28Å; D361-H365 PolarHBondContact O-CD2 3.33Å; D361-H365 VanDerWaalsContact O-CD2 3.22Å; D361-H365 PolarHBondContact O-N 3.21Å; H365-P369 WeakPolarHBondContact O-CG 3.11Å |
| 366 | R | 73.1 | Confident | 71.5 | Confident | 180 Ų | 180 | 64.5 Ų | 64.5 | 68% | 0.679 | 29% | 0.291 | S | S | * | . | I | π-helix | trans | -105.9 | -34.1 | -175.8 | -59.4 | -64.8 | -172.3 | 167.6 | -0.7 | 113.9 | F362 V370 | F362-R366 HydrophobicContact CD2-CG 4.1Å; F362-R366 HydrophobicContact CE1-CB 4.25Å; F362-R366 HydrophobicContact CE2-CB 4.44Å; F362-R366 HydrophobicContact CE2-CG 3.95Å; F362-R366 HydrophobicContact CZ-CB 4.22Å; F362-R366 HydrophobicContact CZ-CG 4.23Å; F362-R366 VanDerWaalsContact O-CB 3.25Å; F362-R366 WeakPolarHBondContact O-CB 3.49Å; F362-R366 PolarHBondContact O-N 3.46Å; R366-V370 WeakPolarHBondContact O-CG2 3.34Å |
| 367 | V | 74.9 | Confident | 71.6 | Confident | 14 Ų | 14 | 67 Ų | 67 | 9% | 0.085 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -97.1 | -41.9 | -173.3 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | I303 N345 F362 L363 V370 L371 | I303-V367 HydrophobicContact CD1-CG1 4.46Å; N345-V367 HydrophobicContact CB-CG2 3.7Å; N345-V367 WeakPolarHBondContact ND2-CG1 3.48Å; F362-V367 HydrophobicContact CE1-CG2 4.48Å; L363-V367 HydrophobicContact CD2-CB 4.32Å; L363-V367 HydrophobicContact CD2-CG2 3.78Å; L363-V367 WeakPolarHBondContact O-CA 3.15Å; L363-V367 WeakPolarHBondContact O-CB 3.31Å; L363-V367 PolarHBondContact O-N 3.03Å; V367-V370 PolarHBondContact O-N 3.33Å; V367-V370 VanDerWaalsContact O-N 3.17Å; V367-L371 HydrophobicContact CG1-CD1 3.85Å; V367-L371 HydrophobicContact CG1-CG 4.05Å; V367-L371 WeakPolarHBondContact O-CG 3.44Å; V367-L371 PolarHBondContact O-N 3.3Å |
| 368 | V | 79.1 | Confident | 71.3 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 112.8 | I300 I303 L363 Y364 V370 L371 Q372 | I300-V368 HydrophobicContact CG1-CG1 4.33Å; I300-V368 HydrophobicContact CG2-CG1 3.93Å; I303-V368 HydrophobicContact CB-CG2 3.73Å; I303-V368 HydrophobicContact CD1-CG2 3.89Å; I303-V368 HydrophobicContact CG1-CG2 4.43Å; I303-V368 HydrophobicContact CG2-CG2 3.53Å; L363-V368 PolarHBondContact O-N 3.05Å; Y364-V368 HydrophobicContact CD2-CG2 4.34Å; Y364-V368 VanDerWaalsContact O-CB 3.3Å; Y364-V368 WeakPolarHBondContact O-CB 3.45Å; V368-V370 VanDerWaalsContact C-N 3.27Å; V368-V370 PolarHBondContact O-N 2.91Å; V368-L371 PolarHBondContact O-N 3.03Å; V368-L371 VanDerWaalsContact O-N 3.1Å; V368-Q372 HydrophobicContact CG1-CG 4.1Å; V368-Q372 WeakPolarHBondContact O-CG 3.43Å; V368-Q372 PolarHBondContact O-N 2.97Å |
| 369 | P | 76.6 | Confident | 70.8 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 178.3 | -26.6 | 35.6 | 0 | 0 | 0 | 113.5 | Y364 H365 K373 | Y364-P369 VanDerWaalsContact O-CD 3.28Å; Y364-P369 WeakPolarHBondContact O-CD 3.35Å; H365-P369 WeakPolarHBondContact O-CG 3.11Å; P369-K373 WeakPolarHBondContact O-CB 3.09Å; P369-K373 PolarHBondContact O-N 2.74Å |
| 370 | V | 72 | Confident | 69.5 | Low | 70 Ų | 70 | 75.8 Ų | 75.8 | 42% | 0.424 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.1 | -40.6 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | R366 V367 V368 K373 R374 | R366-V370 WeakPolarHBondContact O-CG2 3.34Å; V367-V370 PolarHBondContact O-N 3.33Å; V367-V370 VanDerWaalsContact O-N 3.17Å; V368-V370 VanDerWaalsContact C-N 3.27Å; V368-V370 PolarHBondContact O-N 2.91Å; V370-K373 PolarHBondContact O-N 3Å; V370-R374 WeakPolarHBondContact O-CG 3.35Å; V370-R374 PolarHBondContact O-N 3.17Å |
| 371 | L | 71.4 | Confident | 67.7 | Low | 11 Ų | 11 | 85.9 Ų | 85.9 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175 | -64 | 172.9 | 0 | 0 | 0 | 111.4 | Y296 K299 I300 I303 V367 V368 K373 R374 L375 | Y296-L371 HydrophobicContact CD1-CB 4.33Å; Y296-L371 HydrophobicContact CD1-CD2 3.66Å; Y296-L371 HydrophobicContact CE1-CD2 3.9Å; K299-L371 HydrophobicContact CB-CD1 3.84Å; K299-L371 HydrophobicContact CD-CD2 4.35Å; I300-L371 HydrophobicContact CD1-CB 4Å; I300-L371 HydrophobicContact CG1-CB 3.77Å; I300-L371 HydrophobicContact CG1-CD1 4.31Å; I303-L371 HydrophobicContact CD1-CD1 4.1Å; V367-L371 HydrophobicContact CG1-CD1 3.85Å; V367-L371 HydrophobicContact CG1-CG 4.05Å; V367-L371 WeakPolarHBondContact O-CG 3.44Å; V367-L371 PolarHBondContact O-N 3.3Å; V368-L371 PolarHBondContact O-N 3.03Å; V368-L371 VanDerWaalsContact O-N 3.1Å; L371-K373 PolarHBondContact O-N 3.4Å; L371-R374 PolarHBondContact O-N 3.29Å; L371-L375 WeakPolarHBondContact O-CB 3.49Å; L371-L375 PolarHBondContact O-N 2.96Å |
| 372 | Q | 76.4 | Confident | 66.2 | Low | 80 Ų | 80 | 86.1 Ų | 86.1 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 175.1 | -73.4 | 174.2 | -18.4 | 0 | 0 | 112.4 | I300 V368 R374 L375 R376 | I300-Q372 HydrophobicContact CD1-CB 4.46Å; I300-Q372 HydrophobicContact CD1-CG 3.7Å; I300-Q372 HydrophobicContact CG1-CG 4.36Å; V368-Q372 HydrophobicContact CG1-CG 4.1Å; V368-Q372 WeakPolarHBondContact O-CG 3.43Å; V368-Q372 PolarHBondContact O-N 2.97Å; Q372-R374 VanDerWaalsContact C-N 3.34Å; Q372-L375 PolarHBondContact O-N 2.97Å; Q372-R376 WeakPolarHBondContact O-CG 3.25Å; Q372-R376 PolarHBondContact O-N 2.94Å; Q372-R376 VanDerWaalsContact O-N 3.08Å; Q372-R376 PolarHBondContact O-NE 3.45Å |
| 373 | K | 70.6 | Confident | 64.5 | Low | 158 Ų | 158 | 91.3 Ų | 91.3 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66 | -38 | 174.2 | -169.7 | 175.9 | -178.4 | 178.2 | 0 | 111.7 | P369 V370 L371 S377 | P369-K373 WeakPolarHBondContact O-CB 3.09Å; P369-K373 PolarHBondContact O-N 2.74Å; V370-K373 PolarHBondContact O-N 3Å; L371-K373 PolarHBondContact O-N 3.4Å; K373-S377 PolarHBondContact O-N 3.13Å |
| 374 | R | 65.4 | Low | 62.7 | Low | 131 Ų | 131 | 99 Ų | 99 | 49% | 0.494 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72 | -35.1 | 175.9 | -72.1 | 177.6 | -178.5 | -173.9 | 2.1 | 112.8 | Y296 V370 L371 Q372 S377 F378 | Y296-R374 HydrophobicContact CD1-CB 4.33Å; Y296-R374 HydrophobicContact CE1-CB 3.91Å; V370-R374 WeakPolarHBondContact O-CG 3.35Å; V370-R374 PolarHBondContact O-N 3.17Å; L371-R374 PolarHBondContact O-N 3.29Å; Q372-R374 VanDerWaalsContact C-N 3.34Å; R374-S377 WeakPolarHBondContact CA-OG 3.45Å; R374-S377 PolarHBondContact O-N 3.02Å; R374-S377 PolarHBondContact O-OG 3.15Å; R374-F378 PolarHBondContact O-N 2.64Å |
| 375 | L | 69.8 | Low | 60.6 | Low | 21 Ų | 21 | 104.1 Ų | 104.1 | 11% | 0.11 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 172.1 | 179.2 | 65.1 | 0 | 0 | 0 | 111 | A293 N297 I300 L371 Q372 S377 F378 D379 | A293-L375 HydrophobicContact CB-CD1 3.54Å; A293-L375 WeakPolarHBondContact O-CD1 3.45Å; N297-L375 WeakPolarHBondContact OD1-CD2 3.14Å; I300-L375 HydrophobicContact CD1-CD2 4.19Å; L371-L375 WeakPolarHBondContact O-CB 3.49Å; L371-L375 PolarHBondContact O-N 2.96Å; Q372-L375 PolarHBondContact O-N 2.97Å; L375-S377 PolarHBondContact O-N 3.01Å; L375-S377 VanDerWaalsContact O-N 3.17Å; L375-F378 WeakPolarHBondContact O-CA 3.07Å; L375-F378 WeakPolarHBondContact O-CB 3.16Å; L375-F378 PolarHBondContact O-N 2.78Å; L375-D379 PolarHBondContact O-N 3.22Å |
| 376 | R | 66.9 | Low | 58.6 | Low | 150 Ų | 150 | 108.3 Ų | 108.3 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -23.8 | 175.9 | -72 | -178.3 | -75.7 | -155.1 | -1.4 | 114.4 | Q372 | Q372-R376 WeakPolarHBondContact O-CG 3.25Å; Q372-R376 PolarHBondContact O-N 2.94Å; Q372-R376 VanDerWaalsContact O-N 3.08Å; Q372-R376 PolarHBondContact O-NE 3.45Å |
| 377 | S | 57.2 | Low | 56.7 | Low | 55 Ų | 55 | 111.1 Ų | 111.1 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79 | -22.1 | 170.9 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | K373 R374 L375 | K373-S377 PolarHBondContact O-N 3.13Å; R374-S377 WeakPolarHBondContact CA-OG 3.45Å; R374-S377 PolarHBondContact O-N 3.02Å; R374-S377 PolarHBondContact O-OG 3.15Å; L375-S377 PolarHBondContact O-N 3.01Å; L375-S377 VanDerWaalsContact O-N 3.17Å |
| 378 | F | 52 | Low | 54.6 | Low | 75 Ų | 75 | 115.9 Ų | 115.9 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -83.4 | -33.8 | 174.8 | -102.6 | -88.6 | 0 | 0 | 0 | 112.6 | R291 Y296 R374 L375 R380 W381 A382 | R291-F378 WeakPolarHBondContact O-CE2 3.39Å; R291-F378 WeakPolarHBondContact O-CZ 3.25Å; Y296-F378 HydrophobicContact CD2-CD2 4.47Å; Y296-F378 AromaticContact CE2-CD2 3.9Å; Y296-F378 HydrophobicContact CE2-CD2 3.9Å; Y296-F378 AromaticContact CE2-CE2 3.92Å; Y296-F378 HydrophobicContact CE2-CE2 3.92Å; R374-F378 PolarHBondContact O-N 2.64Å; L375-F378 WeakPolarHBondContact O-CA 3.07Å; L375-F378 WeakPolarHBondContact O-CB 3.16Å; L375-F378 PolarHBondContact O-N 2.78Å; F378-R380 PolarHBondContact O-N 3.21Å; F378-W381 CarbonylContact O-C 3.59Å; F378-W381 WeakPolarHBondContact O-CA 3.18Å; F378-W381 PolarHBondContact O-N 2.9Å; F378-A382 PolarHBondContact O-N 3.28Å |
| 379 | D | 52.2 | Low | 52.6 | Low | 82 Ų | 82 | 121.3 Ų | 121.3 | 44% | 0.439 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.7 | -33.1 | 175.5 | -63.2 | -31.4 | 0 | 0 | 0 | 111.8 | L375 W381 A382 | L375-D379 PolarHBondContact O-N 3.22Å; D379-W381 PolarHBondContact O-N 2.83Å; D379-A382 PolarHBondContact O-N 3.16Å |
| 380 | R | 43.5 | Very low | 50.8 | Low | 194 Ų | 194 | 127.1 Ų | 127.1 | 73% | 0.732 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.2 | -13.9 | 172.7 | -79.1 | -174.4 | -75.9 | -173.2 | -2.1 | 115 | F378 | F378-R380 PolarHBondContact O-N 3.21Å |
| 381 | W | 34.8 | Very low | 49.5 | Very low | 218 Ų | 218 | 130.5 Ų | 130.5 | 83% | 0.826 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -104.5 | -16.4 | 175.2 | -108.7 | 66.8 | 0 | 0 | 0 | 112.1 | F378 D379 | F378-W381 CarbonylContact O-C 3.59Å; F378-W381 WeakPolarHBondContact O-CA 3.18Å; F378-W381 PolarHBondContact O-N 2.9Å; D379-W381 PolarHBondContact O-N 2.83Å |
| 382 | A | 42.7 | Very low | 48.1 | Very low | 56 Ų | 56 | 139.9 Ų | 139.9 | 46% | 0.463 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -81.7 | -16.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F378 D379 L384 Q385 | F378-A382 PolarHBondContact O-N 3.28Å; D379-A382 PolarHBondContact O-N 3.16Å; A382-L384 PolarHBondContact O-N 3.37Å; A382-Q385 PolarHBondContact O-N 3Å |
| 383 | E | 41 | Very low | 46.7 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 84% | 0.841 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -1.8 | 173.1 | -81.1 | 178.2 | 163.4 | 0 | 0 | 114.2 | ||
| 384 | L | 39.8 | Very low | 45.6 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 85% | 0.853 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 5.6 | 179.7 | -83.8 | 165.6 | 0 | 0 | 0 | 115.5 | A382 | A382-L384 PolarHBondContact O-N 3.37Š|
| 385 | Q | 37.8 | Very low | 44.6 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 63% | 0.625 | S | S | * | * | trans | -148.1 | 74.6 | 179.4 | -146.8 | 148.2 | -6.4 | 0 | 0 | 113.6 | A382 | A382-Q385 PolarHBondContact O-N 3Š| ||
| 386 | E | 33.7 | Very low | 43.4 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 91% | 0.907 | 64% | 0.635 | S | S | * | * | trans | -95.4 | 99 | 172.9 | -156.4 | 172 | -143.4 | 0 | 0 | 110 | ||||
| 387 | R | 32.2 | Very low | 42.5 | Very low | 239 Ų | 239 | 130.4 Ų | 130.4 | 90% | 0.902 | 63% | 0.63 | S | S | * | * | trans | -177.9 | 102.8 | 152.2 | -105.7 | 168 | 176.1 | -168 | -1.1 | 110.6 | ||||
| 388 | C | 31.3 | Very low | 42.1 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 76% | 0.764 | 62% | 0.619 | S | S | * | * | 173.3 | 117.9 | 129 | -108.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 389 | S | 37.9 | Very low | 41.9 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 83% | 0.825 | 61% | 0.608 | S | S | * | * | trans | -135 | 104.9 | 166.3 | -23.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 390 | Q | 37.4 | Very low | 41.5 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 86% | 0.855 | 62% | 0.619 | S | S | * | * | trans | -169.4 | 113.8 | 150.5 | -108.7 | 165.4 | 12.1 | 0 | 0 | 111.1 | R392 | Q390-R392 VanDerWaalsContact C-N 3.31Å; Q390-R392 PolarHBondContact O-N 3.21Å | ||
| 391 | D | 45.7 | Very low | 41.2 | Very low | 140 Ų | 140 | 122 Ų | 122 | 75% | 0.749 | 60% | 0.602 | S | S | * | * | trans | -74.8 | 72.5 | 174.5 | -101.6 | -25.7 | 0 | 0 | 0 | 111.4 | ||||
| 392 | R | 41.4 | Very low | 41.3 | Very low | 208 Ų | 208 | 116.4 Ų | 116.4 | 79% | 0.785 | 59% | 0.588 | S | S | * | * | trans | -143 | 120.7 | 169.6 | -68.6 | -170.3 | 175.3 | -175.8 | -1.5 | 110.6 | Q390 | Q390-R392 VanDerWaalsContact C-N 3.31Å; Q390-R392 PolarHBondContact O-N 3.21Å | ||
| 393 | Y | 47.9 | Very low | 40.9 | Very low | 52 Ų | 52 | 121.3 Ų | 121.3 | 20% | 0.204 | 61% | 0.606 | C | S | . | * | trans | -103.9 | 124.2 | 176.2 | -56.8 | -76.8 | 0 | 0 | 0 | 109.8 | G243 M282 | G243-Y393 WeakPolarHBondContact CA-O 3.44Å; M282-Y393 HydrophobicContact CE-CE2 4.32Å | ||
| 394 | Q | 46.1 | Very low | 40.6 | Very low | 115 Ų | 115 | 122 Ų | 122 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | trans | -82.4 | 152.2 | 170.4 | -60.3 | -158.5 | 10.7 | 0 | 0 | 110.5 | S396 D397 | Q394-S396 WeakPolarHBondContact CB-OG 3.41Å; Q394-S396 PolarHBondContact O-N 2.98Å; Q394-D397 WeakPolarHBondContact CB-OD2 3.5Å; Q394-D397 PolarHBondContact N-OD2 2.88Å; Q394-D397 WeakPolarHBondContact O-CB 3.43Å; Q394-D397 PolarHBondContact O-N 2.88Å; Q394-D397 VanDerWaalsContact O-N 3.1Å | ||
| 395 | L | 45.3 | Very low | 40.3 | Very low | 42 Ų | 42 | 122.2 Ų | 122.2 | 22% | 0.22 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -60.1 | -35 | 176.3 | -72.5 | 168.7 | 0 | 0 | 0 | 110.9 | E234 A237 L244 D397 I398 F399 | E234-L395 HydrophobicContact CG-CD1 4.01Å; A237-L395 HydrophobicContact CB-CD1 4.49Å; L244-L395 HydrophobicContact CD1-CD2 4.13Å; L395-D397 VanDerWaalsContact C-N 3.32Å; L395-D397 PolarHBondContact O-N 2.69Å; L395-I398 WeakPolarHBondContact O-CB 3.45Å; L395-I398 PolarHBondContact O-N 3.1Å; L395-I398 VanDerWaalsContact O-N 3.11Å; L395-F399 HydrophobicContact CB-CD2 4.22Å; L395-F399 HydrophobicContact CD2-CD2 4.34Å; L395-F399 HydrophobicContact CD2-CE2 3.85Å; L395-F399 VanDerWaalsContact O-CB 3.25Å; L395-F399 WeakPolarHBondContact O-CB 3.34Å; L395-F399 WeakPolarHBondContact O-CD2 3.5Å; L395-F399 PolarHBondContact O-N 3.29Å |
| 396 | S | 44 | Very low | 40.1 | Very low | 47 Ų | 47 | 117.7 Ų | 117.7 | 33% | 0.329 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -56.1 | -39.8 | 172.7 | 40.6 | 0 | 0 | 0 | 0 | 113.2 | Q394 I398 F399 N400 | Q394-S396 WeakPolarHBondContact CB-OG 3.41Å; Q394-S396 PolarHBondContact O-N 2.98Å; S396-I398 PolarHBondContact O-N 3.39Å; S396-F399 PolarHBondContact O-N 3.28Å; S396-F399 VanDerWaalsContact O-N 3.16Å; S396-N400 WeakPolarHBondContact O-CB 3.49Å; S396-N400 PolarHBondContact O-N 2.87Å |
| 397 | D | 48.1 | Very low | 39.8 | Very low | 86 Ų | 86 | 111.1 Ų | 111.1 | 46% | 0.46 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69 | -22.9 | 178.9 | -53.9 | -37.3 | 0 | 0 | 0 | 112.7 | Q394 L395 | Q394-D397 WeakPolarHBondContact CB-OD2 3.5Å; Q394-D397 PolarHBondContact N-OD2 2.88Å; Q394-D397 WeakPolarHBondContact O-CB 3.43Å; Q394-D397 PolarHBondContact O-N 2.88Å; Q394-D397 VanDerWaalsContact O-N 3.1Å; L395-D397 VanDerWaalsContact C-N 3.32Å; L395-D397 PolarHBondContact O-N 2.69Å |
| 398 | I | 49.5 | Very low | 39.7 | Very low | 30 Ų | 30 | 108.8 Ų | 108.8 | 15% | 0.154 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -84.9 | -23 | 178 | -60.4 | 172.5 | 0 | 0 | 0 | 110.7 | L249 L395 S396 | L249-I398 HydrophobicContact CD1-CD1 4.24Å; L249-I398 HydrophobicContact CD2-CD1 4.29Å; L395-I398 WeakPolarHBondContact O-CB 3.45Å; L395-I398 PolarHBondContact O-N 3.1Å; L395-I398 VanDerWaalsContact O-N 3.11Å; S396-I398 PolarHBondContact O-N 3.39Å |
| 399 | F | 48.6 | Very low | 39.7 | Very low | 18 Ų | 18 | 110 Ų | 110 | 8% | 0.079 | 60% | 0.6 | C | S | . | * | H | α-helix | trans | -131.4 | -18 | -157.1 | -76.1 | -47.1 | 0 | 0 | 0 | 116.5 | K226 R230 W274 L395 S396 | K226-F399 HydrophobicContact CB-CE1 4.19Å; R230-F399 HydrophobicContact CB-CE1 3.92Å; R230-F399 HydrophobicContact CB-CE2 3.81Å; R230-F399 HydrophobicContact CB-CZ 3.41Å; R230-F399 VanDerWaalsContact CB-CZ 3.41Å; R230-F399 HydrophobicContact CG-CD2 3.96Å; R230-F399 HydrophobicContact CG-CE1 4.31Å; R230-F399 HydrophobicContact CG-CE2 3.48Å; R230-F399 VanDerWaalsContact CG-CE2 3.48Å; R230-F399 HydrophobicContact CG-CZ 3.66Å; R230-F399 VanDerWaalsContact CZ-CB 3.49Å; R230-F399 VanDerWaalsContact CZ-CD1 3.47Å; W274-F399 HydrophobicContact CH2-CZ 4.4Å; L395-F399 HydrophobicContact CB-CD2 4.22Å; L395-F399 HydrophobicContact CD2-CD2 4.34Å; L395-F399 HydrophobicContact CD2-CE2 3.85Å; L395-F399 VanDerWaalsContact O-CB 3.25Å; L395-F399 WeakPolarHBondContact O-CB 3.34Å; L395-F399 WeakPolarHBondContact O-CD2 3.5Å; L395-F399 PolarHBondContact O-N 3.29Å; S396-F399 PolarHBondContact O-N 3.28Å; S396-F399 VanDerWaalsContact O-N 3.16Å |
| 400 | N | 43.8 | Very low | 39.4 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 67% | 0.674 | 60% | 0.598 | S | S | * | * | trans | -114.7 | 83.7 | 179.1 | -72.6 | -9.2 | 0 | 0 | 0 | 110.3 | S396 | S396-N400 WeakPolarHBondContact O-CB 3.49Å; S396-N400 PolarHBondContact O-N 2.87Å | ||
| 401 | S | 35.8 | Very low | 39.2 | Very low | 54 Ų | 54 | 113.8 Ų | 113.8 | 38% | 0.378 | 62% | 0.617 | S | S | . | * | trans | -154.7 | 39.9 | 159.8 | 81.8 | 0 | 0 | 0 | 0 | 111 | R281 L403 | R281-S401 PolarHBondContact NH1-OG 3.27Å; R281-S401 VanDerWaalsContact NH1-OG 3.07Å; R281-S401 PolarHBondContact NH2-OG 2.86Å; S401-L403 VanDerWaalsContact C-N 3.3Å | ||
| 402 | D | 37.9 | Very low | 38.8 | Very low | 101 Ų | 101 | 112.5 Ų | 112.5 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | trans | -97.4 | 26.1 | 172.4 | -72.2 | -4.4 | 0 | 0 | 0 | 110.6 | ||||
| 403 | L | 33.5 | Very low | 38.7 | Very low | 160 Ų | 160 | 107.5 Ų | 107.5 | 84% | 0.838 | 60% | 0.601 | S | S | * | * | trans | -132.8 | 83.9 | 176.2 | -67 | 173.4 | 0 | 0 | 0 | 108.8 | S401 | S401-L403 VanDerWaalsContact C-N 3.3Š| ||
| 404 | E | 35.7 | Very low | 38.2 | Very low | 195 Ų | 195 | 110.6 Ų | 110.6 | 91% | 0.911 | 62% | 0.623 | S | S | * | * | trans | 171.5 | 67.3 | 151.7 | -95.4 | 172.1 | -150.5 | 0 | 0 | 108.3 | ||||
| 405 | D | 32.2 | Very low | 37.7 | Very low | 167 Ų | 167 | 110.3 Ų | 110.3 | 89% | 0.893 | 63% | 0.628 | S | S | * | * | trans | -141.8 | 49 | 152.5 | -160.4 | 19.4 | 0 | 0 | 0 | 108.4 | ||||
| 406 | G | 33.9 | Very low | 37.2 | Very low | 83 Ų | 83 | 114.6 Ų | 114.6 | 86% | 0.856 | 65% | 0.654 | S | S | * | * | trans | -115.2 | 67.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 407 | G | 27.2 | Very low | 36.8 | Very low | 57 Ų | 57 | 119.1 Ų | 119.1 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | trans | -127.9 | 94.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | V409 | G407-V409 PolarHBondContact O-N 3.42Š| ||
| 408 | E | 31 | Very low | 36 | Very low | 190 Ų | 190 | 121.4 Ų | 121.4 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | trans | -41.4 | 131.4 | 161.3 | -71.6 | 167.7 | 150.4 | 0 | 0 | 110.1 | ||||
| 409 | V | 31.1 | Very low | 34.9 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | trans | -122.8 | 90.4 | 155 | -175.4 | 0 | 0 | 0 | 0 | 105.8 | G407 D411 | G407-V409 PolarHBondContact O-N 3.42Å; V409-D411 PolarHBondContact O-N 3.36Å | ||
| 410 | D | 31.2 | Very low | 33.8 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -59.7 | 109.5 | 149 | -90.5 | -26.3 | 0 | 0 | 0 | 107.6 | ||||
| 411 | D | 32.5 | Very low | 32.9 | Very low | 235 Ų | 235 | 138.7 Ų | 138.7 | 100% | 1.257 | 80% | 0.797 | S | S | * | * | 179.3 | 0 | 117.6 | -105.6 | -18.9 | 0 | 0 | 0 | 110.5 | V409 | V409-D411 PolarHBondContact O-N 3.36Š|
Retrieved 411 of 411 residues in 302.5 ms
(Link to these results)