| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.4 | Very low | 50.7 | Low | 249 Ų | 249 | 151.2 Ų | 151.2 | 100% | 1.227 | 83% | 0.832 | S | S | * | * | 0 | 125.3 | 0 | -66 | 179.7 | -168.2 | 0 | 0 | 106.3 | |||||
| 2 | R | 45 | Very low | 51.5 | Low | 226 Ų | 226 | 147.8 Ų | 147.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | cis | -160.2 | 112.6 | 13.8 | -167.5 | 177.8 | -167.5 | 171.6 | 1.7 | 104 | ||||
| 3 | F | 44.3 | Very low | 52.4 | Low | 220 Ų | 220 | 145 Ų | 145 | 97% | 0.965 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 123 | 170.4 | -105.8 | -90.8 | 0 | 0 | 0 | 107.2 | ||
| 4 | M | 48.1 | Very low | 53.6 | Low | 171 Ų | 171 | 143.6 Ų | 143.6 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 121.1 | 171.7 | -70.1 | -167.9 | 162.9 | 0 | 0 | 108.4 | ||
| 5 | A | 51.9 | Low | 55 | Low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 124.3 | 167 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 6 | S | 53.5 | Low | 56.2 | Low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 135.5 | 170.4 | 60 | 0 | 0 | 0 | 0 | 110 | G8 | S6-G8 PolarHBondContact O-N 3.23Š|
| 7 | E | 55 | Low | 57.1 | Low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -59.9 | 115 | 174.7 | -65.8 | 171.7 | 165.4 | 0 | 0 | 110.1 | ||||
| 8 | G | 51 | Low | 58 | Low | 62 Ų | 62 | 134.2 Ų | 134.2 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | trans | -79.4 | 119.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | S6 N10 | S6-G8 PolarHBondContact O-N 3.23Å; G8-N10 PolarHBondContact O-N 3.31Å | ||
| 9 | S | 54.3 | Low | 58.9 | Low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | -62 | 108.3 | 165.2 | 53.1 | 0 | 0 | 0 | 0 | 108.8 | S11 | S9-S11 PolarHBondContact O-N 3.18Š| ||
| 10 | N | 53.8 | Low | 59.5 | Low | 113 Ų | 113 | 129 Ų | 129 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | trans | -71.3 | 114.6 | 175.7 | -79.1 | -20.9 | 0 | 0 | 0 | 109.1 | G8 D12 | G8-N10 PolarHBondContact O-N 3.31Å; N10-D12 PolarHBondContact O-N 3.16Å; N10-D12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | S | 59.4 | Low | 60.2 | Low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -4.7 | 174.7 | 67.4 | 0 | 0 | 0 | 0 | 113.9 | S9 | S9-S11 PolarHBondContact O-N 3.18Š|
| 12 | D | 60 | Low | 61.5 | Low | 111 Ų | 111 | 128.7 Ų | 128.7 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.9 | -31.8 | -177.4 | -64.7 | -19.9 | 0 | 0 | 0 | 111.6 | N10 D14 F15 D16 | N10-D12 PolarHBondContact O-N 3.16Å; N10-D12 VanDerWaalsContact O-N 3.16Å; D12-D14 VanDerWaalsContact C-N 3.28Å; D12-D14 PolarHBondContact O-N 3.18Å; D12-F15 PolarHBondContact O-N 3.42Å; D12-D16 PolarHBondContact O-N 3.46Å |
| 13 | D | 63.6 | Low | 62.7 | Low | 111 Ų | 111 | 123.9 Ų | 123.9 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67 | -28.3 | 179.4 | -65.2 | -27.7 | 0 | 0 | 0 | 112.6 | N17 | D13-N17 WeakPolarHBondContact O-CB 3.46Å; D13-N17 PolarHBondContact O-N 3.25Å |
| 14 | D | 69.3 | Low | 63.8 | Low | 125 Ų | 125 | 120.1 Ų | 120.1 | 67% | 0.668 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.8 | -32.8 | 177.6 | -79.5 | -27.4 | 0 | 0 | 0 | 112.3 | D12 C18 | D12-D14 VanDerWaalsContact C-N 3.28Å; D12-D14 PolarHBondContact O-N 3.18Å; D14-C18 WeakPolarHBondContact O-CB 3.49Å; D14-C18 PolarHBondContact O-N 2.94Å |
| 15 | F | 74 | Confident | 64.9 | Low | 130 Ų | 130 | 118.5 Ų | 118.5 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.7 | -44.8 | 179.6 | -178.4 | -98.8 | 0 | 0 | 0 | 111.4 | D12 N17 C18 M19 | D12-F15 PolarHBondContact O-N 3.42Å; F15-N17 VanDerWaalsContact C-N 3.35Å; F15-N17 PolarHBondContact O-N 3.33Å; F15-C18 PolarHBondContact O-N 3.31Å; F15-M19 HydrophobicContact CD1-CG 4.13Å; F15-M19 HydrophobicContact CE1-CG 3.67Å; F15-M19 HydrophobicContact CE2-CG 4.27Å; F15-M19 HydrophobicContact CZ-CE 4.46Å; F15-M19 HydrophobicContact CZ-CG 3.74Å; F15-M19 HydrophobicContact CZ-SD 4.14Å; F15-M19 WeakPolarHBondContact O-CG 3.49Å; F15-M19 PolarHBondContact O-N 3.29Å |
| 16 | D | 74.1 | Confident | 65.4 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 52% | 0.524 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.9 | -42.3 | 179.4 | -77.4 | -22.1 | 0 | 0 | 0 | 111.5 | D12 C18 M19 D20 | D12-D16 PolarHBondContact O-N 3.46Å; D16-C18 VanDerWaalsContact C-N 3.34Å; D16-C18 PolarHBondContact O-N 3.4Å; D16-M19 PolarHBondContact O-N 3.39Å; D16-D20 PolarHBondContact O-N 3.41Å |
| 17 | N | 71.9 | Confident | 65.9 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.4 | -33.7 | 179.1 | -146.7 | -4.7 | 0 | 0 | 0 | 112.4 | D13 F15 R21 | D13-N17 WeakPolarHBondContact O-CB 3.46Å; D13-N17 PolarHBondContact O-N 3.25Å; F15-N17 VanDerWaalsContact C-N 3.35Å; F15-N17 PolarHBondContact O-N 3.33Å; N17-R21 PolarHBondContact O-N 3.2Å |
| 18 | C | 73.7 | Confident | 66.6 | Low | 68 Ų | 68 | 124.3 Ų | 124.3 | 46% | 0.459 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.9 | -41.9 | 172 | -175.6 | 0 | 0 | 0 | 0 | 112 | D14 F15 D16 D20 R21 W22 | D14-C18 WeakPolarHBondContact O-CB 3.49Å; D14-C18 PolarHBondContact O-N 2.94Å; F15-C18 PolarHBondContact O-N 3.31Å; D16-C18 VanDerWaalsContact C-N 3.34Å; D16-C18 PolarHBondContact O-N 3.4Å; C18-D20 VanDerWaalsContact C-N 3.35Å; C18-R21 PolarHBondContact O-N 3.17Å; C18-W22 PolarHBondContact O-N 3.24Å |
| 19 | M | 74.5 | Confident | 67.6 | Low | 86 Ų | 86 | 126.9 Ų | 126.9 | 42% | 0.424 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64.3 | -38.4 | 178.8 | -79.8 | -69.3 | -87.9 | 0 | 0 | 111.9 | F15 D16 W22 K23 | F15-M19 HydrophobicContact CD1-CG 4.13Å; F15-M19 HydrophobicContact CE1-CG 3.67Å; F15-M19 HydrophobicContact CE2-CG 4.27Å; F15-M19 HydrophobicContact CZ-CE 4.46Å; F15-M19 HydrophobicContact CZ-CG 3.74Å; F15-M19 HydrophobicContact CZ-SD 4.14Å; F15-M19 WeakPolarHBondContact O-CG 3.49Å; F15-M19 PolarHBondContact O-N 3.29Å; D16-M19 PolarHBondContact O-N 3.39Å; M19-W22 PolarHBondContact O-N 2.79Å; M19-K23 WeakPolarHBondContact O-CG 3.46Å; M19-K23 PolarHBondContact O-N 2.96Å |
| 20 | D | 72.3 | Confident | 68.4 | Low | 78 Ų | 78 | 128.6 Ų | 128.6 | 42% | 0.417 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69 | -38.5 | 177.2 | -73.9 | -19.5 | 0 | 0 | 0 | 112.4 | D16 C18 W22 K23 D24 | D16-D20 PolarHBondContact O-N 3.41Å; C18-D20 VanDerWaalsContact C-N 3.35Å; D20-W22 PolarHBondContact O-N 3.07Å; D20-K23 WeakPolarHBondContact O-CB 3.5Å; D20-K23 PolarHBondContact O-N 2.89Å; D20-K23 VanDerWaalsContact O-N 3.15Å; D20-K23 IonicContact OD1-NZ 2.79Å; D20-K23 PolarHBondContact OD1-NZ 3.37Å; D20-D24 PolarHBondContact O-N 3.41Å; D20-D24 VanDerWaalsContact O-N 3.12Å |
| 21 | R | 73 | Confident | 69.6 | Low | 186 Ų | 186 | 125.5 Ų | 125.5 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.9 | -32.3 | 169.9 | -92.5 | -170.3 | -177 | -153.4 | 2.4 | 113.8 | N17 C18 N25 | N17-R21 PolarHBondContact O-N 3.2Å; C18-R21 PolarHBondContact O-N 3.17Å; R21-N25 PolarHBondContact O-N 3.27Å; R21-N25 PolarHBondContact O-ND2 3.47Å |
| 22 | W | 69.7 | Low | 70.7 | Confident | 186 Ų | 186 | 126.7 Ų | 126.7 | 71% | 0.705 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.8 | -36.9 | 176.2 | -89.8 | 51.8 | 0 | 0 | 0 | 111.9 | C18 M19 D20 D24 N25 L26 | C18-W22 PolarHBondContact O-N 3.24Å; M19-W22 PolarHBondContact O-N 2.79Å; D20-W22 PolarHBondContact O-N 3.07Å; W22-D24 VanDerWaalsContact C-N 3.31Å; W22-D24 PolarHBondContact O-N 3.03Å; W22-N25 CarbonylContact O-C 3.59Å; W22-N25 PolarHBondContact O-N 3Å; W22-L26 PolarHBondContact O-N 3.12Å |
| 23 | K | 69 | Low | 71.8 | Confident | 125 Ų | 125 | 126.2 Ų | 126.2 | 54% | 0.543 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.6 | -40.2 | 173.6 | -70.1 | 176 | -162.3 | 150.6 | 0 | 112.2 | M19 D20 N25 L26 | M19-K23 WeakPolarHBondContact O-CG 3.46Å; M19-K23 PolarHBondContact O-N 2.96Å; D20-K23 WeakPolarHBondContact O-CB 3.5Å; D20-K23 PolarHBondContact O-N 2.89Å; D20-K23 VanDerWaalsContact O-N 3.15Å; D20-K23 IonicContact OD1-NZ 2.79Å; D20-K23 PolarHBondContact OD1-NZ 3.37Å; K23-N25 VanDerWaalsContact C-N 3.3Å; K23-N25 PolarHBondContact O-N 3.45Å; K23-L26 PolarHBondContact O-N 3.15Å |
| 24 | D | 68.9 | Low | 72.8 | Confident | 141 Ų | 141 | 124.1 Ų | 124.1 | 75% | 0.754 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.2 | -24.1 | 178.5 | -67.1 | -18.2 | 0 | 0 | 0 | 113.2 | D20 W22 | D20-D24 PolarHBondContact O-N 3.41Å; D20-D24 VanDerWaalsContact O-N 3.12Å; W22-D24 VanDerWaalsContact C-N 3.31Å; W22-D24 PolarHBondContact O-N 3.03Å |
| 25 | N | 69.5 | Low | 73.3 | Confident | 138 Ų | 138 | 121.4 Ų | 121.4 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 1.1 | 177.6 | -74.6 | -58.8 | 0 | 0 | 0 | 113.9 | R21 W22 K23 R27 | R21-N25 PolarHBondContact O-N 3.27Å; R21-N25 PolarHBondContact O-ND2 3.47Å; W22-N25 CarbonylContact O-C 3.59Å; W22-N25 PolarHBondContact O-N 3Å; K23-N25 VanDerWaalsContact C-N 3.3Å; K23-N25 PolarHBondContact O-N 3.45Å; N25-R27 PolarHBondContact O-N 3.23Å |
| 26 | L | 63.4 | Low | 73.8 | Confident | 126 Ų | 126 | 117.8 Ų | 117.8 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -67.6 | 105.4 | 171.4 | -92 | 147.1 | 0 | 0 | 0 | 107.7 | W22 K23 E28 | W22-L26 PolarHBondContact O-N 3.12Å; K23-L26 PolarHBondContact O-N 3.15Å; L26-E28 PolarHBondContact O-N 3.28Å |
| 27 | R | 64.4 | Low | 74.2 | Confident | 236 Ų | 236 | 119.1 Ų | 119.1 | 89% | 0.891 | 57% | 0.572 | S | S | * | * | trans | -43.2 | 130.5 | 168.7 | -175.9 | 177 | -175.1 | -170 | 0.8 | 108.4 | N25 | N25-R27 PolarHBondContact O-N 3.23Š| ||
| 28 | E | 69.2 | Low | 74.7 | Confident | 169 Ų | 169 | 120.4 Ų | 120.4 | 79% | 0.79 | 57% | 0.574 | S | S | * | * | trans | -44.4 | 136.4 | -177.7 | -69.5 | -174 | 176.6 | 0 | 0 | 110.4 | L26 F30 | L26-E28 PolarHBondContact O-N 3.28Å; E28-F30 PolarHBondContact O-N 2.88Å | ||
| 29 | P | 72 | Confident | 75.2 | Confident | 116 Ų | 116 | 120.8 Ų | 120.8 | 75% | 0.753 | 57% | 0.571 | S | S | * | * | trans | -51.6 | 133.8 | -179.7 | -18 | 25.3 | 0 | 0 | 0 | 109.2 | C31 | P29-C31 PolarHBondContact O-N 3.26Š| ||
| 30 | F | 71.9 | Confident | 75.6 | Confident | 158 Ų | 158 | 121 Ų | 121 | 69% | 0.693 | 57% | 0.571 | S | S | * | * | trans | -53.4 | 109.7 | 175.4 | 172.8 | -96.2 | 0 | 0 | 0 | 109.6 | E28 F32 M35 | E28-F30 PolarHBondContact O-N 2.88Å; F30-F32 HydrophobicContact CE1-CB 4.07Å; F30-F32 HydrophobicContact CE1-CD2 4.28Å; F30-F32 HydrophobicContact CZ-CD2 4.25Å; F30-M35 HydrophobicContact CE2-CB 4.28Å; F30-M35 HydrophobicContact CE2-CG 4.46Å; F30-M35 HydrophobicContact CZ-CB 4.48Å; F30-M35 HydrophobicContact CZ-CE 4.3Å | ||
| 31 | C | 78.3 | Confident | 76 | Confident | 48 Ų | 48 | 121.1 Ų | 121.1 | 32% | 0.324 | 58% | 0.578 | S | S | . | * | trans | -101 | 107.4 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | P29 D33 D34 M35 | P29-C31 PolarHBondContact O-N 3.26Å; C31-D33 PolarHBondContact O-N 3.04Å; C31-D34 HydrophobicContact CB-CB 4.04Å; C31-D34 WeakPolarHBondContact CB-OD2 3.18Å; C31-D34 PolarHBondContact O-N 3.22Å; C31-D34 PolarHBondContact SG-OD2 3.46Å; C31-M35 PolarHBondContact O-N 3.12Å; C31-M35 VanDerWaalsContact O-N 3.12Å | ||
| 32 | F | 82.1 | Confident | 76.4 | Confident | 115 Ų | 115 | 116.9 Ų | 116.9 | 50% | 0.504 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.8 | -33.4 | 179.6 | -177.3 | -108.9 | 0 | 0 | 0 | 111.8 | F30 D34 M35 L36 | F30-F32 HydrophobicContact CE1-CB 4.07Å; F30-F32 HydrophobicContact CE1-CD2 4.28Å; F30-F32 HydrophobicContact CZ-CD2 4.25Å; F32-D34 VanDerWaalsContact C-N 3.34Å; F32-M35 HydrophobicContact CD2-CE 3.71Å; F32-M35 HydrophobicContact CE2-CE 3.61Å; F32-M35 PolarHBondContact O-N 3.2Å; F32-L36 HydrophobicContact CD1-CD1 3.48Å; F32-L36 VanDerWaalsContact CD1-CD1 3.48Å; F32-L36 HydrophobicContact CD1-CG 4.11Å; F32-L36 HydrophobicContact CE1-CD1 3.23Å; F32-L36 HydrophobicContact CE1-CD2 4.35Å; F32-L36 HydrophobicContact CE1-CG 3.81Å; F32-L36 HydrophobicContact CG-CD1 4.38Å; F32-L36 HydrophobicContact CZ-CD1 3.92Å; F32-L36 HydrophobicContact CZ-CD2 4.24Å; F32-L36 HydrophobicContact CZ-CG 4Å; F32-L36 WeakPolarHBondContact O-CB 3.27Å; F32-L36 WeakPolarHBondContact O-CG 3.35Å; F32-L36 PolarHBondContact O-N 2.77Å |
| 33 | D | 83.6 | Confident | 76.6 | Confident | 102 Ų | 102 | 110.8 Ų | 110.8 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.5 | -33.6 | 177.4 | -67.7 | -27.1 | 0 | 0 | 0 | 112.3 | C31 K37 | C31-D33 PolarHBondContact O-N 3.04Å; D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.18Å; D33-K37 VanDerWaalsContact O-N 3.07Å |
| 34 | D | 83.4 | Confident | 76.8 | Confident | 67 Ų | 67 | 107.4 Ų | 107.4 | 36% | 0.358 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -75.8 | -39.3 | 177 | -64 | -33.2 | 0 | 0 | 0 | 111.2 | C31 F32 L36 K37 E38 | C31-D34 HydrophobicContact CB-CB 4.04Å; C31-D34 WeakPolarHBondContact CB-OD2 3.18Å; C31-D34 PolarHBondContact O-N 3.22Å; C31-D34 PolarHBondContact SG-OD2 3.46Å; F32-D34 VanDerWaalsContact C-N 3.34Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 2.98Å; D34-K37 PolarHBondContact O-N 3.31Å; D34-K37 IonicContact OD1-NZ 2.77Å; D34-K37 PolarHBondContact OD1-NZ 3.38Å; D34-E38 PolarHBondContact O-N 3.49Å |
| 35 | M | 81.5 | Confident | 77.2 | Confident | 68 Ų | 68 | 106 Ų | 106 | 34% | 0.335 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 171.1 | -171.9 | -84.6 | -68.2 | 0 | 0 | 111.9 | F30 C31 F32 K37 E38 L39 | F30-M35 HydrophobicContact CE2-CB 4.28Å; F30-M35 HydrophobicContact CE2-CG 4.46Å; F30-M35 HydrophobicContact CZ-CB 4.48Å; F30-M35 HydrophobicContact CZ-CE 4.3Å; C31-M35 PolarHBondContact O-N 3.12Å; C31-M35 VanDerWaalsContact O-N 3.12Å; F32-M35 HydrophobicContact CD2-CE 3.71Å; F32-M35 HydrophobicContact CE2-CE 3.61Å; F32-M35 PolarHBondContact O-N 3.2Å; M35-K37 VanDerWaalsContact C-N 3.35Å; M35-K37 PolarHBondContact O-N 3.44Å; M35-E38 PolarHBondContact O-N 3.07Å; M35-L39 WeakPolarHBondContact O-CB 3.39Å; M35-L39 PolarHBondContact O-N 2.86Å |
| 36 | L | 83.6 | Confident | 77.5 | Confident | 54 Ų | 54 | 103 Ų | 103 | 28% | 0.283 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 174.1 | -86 | 169.8 | 0 | 0 | 0 | 112.2 | F32 D34 L39 E40 | F32-L36 HydrophobicContact CD1-CD1 3.48Å; F32-L36 VanDerWaalsContact CD1-CD1 3.48Å; F32-L36 HydrophobicContact CD1-CG 4.11Å; F32-L36 HydrophobicContact CE1-CD1 3.23Å; F32-L36 HydrophobicContact CE1-CD2 4.35Å; F32-L36 HydrophobicContact CE1-CG 3.81Å; F32-L36 HydrophobicContact CG-CD1 4.38Å; F32-L36 HydrophobicContact CZ-CD1 3.92Å; F32-L36 HydrophobicContact CZ-CD2 4.24Å; F32-L36 HydrophobicContact CZ-CG 4Å; F32-L36 WeakPolarHBondContact O-CB 3.27Å; F32-L36 WeakPolarHBondContact O-CG 3.35Å; F32-L36 PolarHBondContact O-N 2.77Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 2.98Å; L36-L39 PolarHBondContact O-N 3.23Å; L36-E40 WeakPolarHBondContact O-CB 3.31Å; L36-E40 WeakPolarHBondContact O-CG 3.31Å; L36-E40 PolarHBondContact O-N 3.18Å |
| 37 | K | 82.6 | Confident | 77.8 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 175.2 | -70.2 | 166.3 | -157.3 | 158.1 | 0 | 111.3 | D33 D34 M35 L39 E40 S41 | D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.18Å; D33-K37 VanDerWaalsContact O-N 3.07Å; D34-K37 PolarHBondContact O-N 3.31Å; D34-K37 IonicContact OD1-NZ 2.77Å; D34-K37 PolarHBondContact OD1-NZ 3.38Å; M35-K37 VanDerWaalsContact C-N 3.35Å; M35-K37 PolarHBondContact O-N 3.44Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-E40 PolarHBondContact O-N 2.83Å; K37-S41 WeakPolarHBondContact O-CB 3.41Å; K37-S41 PolarHBondContact O-N 3.13Å; K37-S41 PolarHBondContact O-OG 3.22Å |
| 38 | E | 83.1 | Confident | 78.2 | Confident | 136 Ų | 136 | 97.3 Ų | 97.3 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.3 | -46.1 | 174.6 | -73.2 | -179 | -176.4 | 0 | 0 | 110.8 | D34 M35 S41 H42 | D34-E38 PolarHBondContact O-N 3.49Å; M35-E38 PolarHBondContact O-N 3.07Å; E38-S41 PolarHBondContact O-N 2.67Å; E38-S41 PolarHBondContact O-OG 3.3Å; E38-H42 PolarHBondContact O-N 2.96Å |
| 39 | L | 84.3 | Confident | 78.2 | Confident | 75 Ų | 75 | 92.4 Ų | 92.4 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 176.3 | -166.6 | 93 | 0 | 0 | 0 | 111.4 | M35 L36 K37 S41 H42 F45 | M35-L39 WeakPolarHBondContact O-CB 3.39Å; M35-L39 PolarHBondContact O-N 2.86Å; L36-L39 PolarHBondContact O-N 3.23Å; K37-L39 VanDerWaalsContact C-N 3.34Å; L39-S41 PolarHBondContact O-N 3.39Å; L39-H42 VanDerWaalsContact O-CB 3.31Å; L39-H42 WeakPolarHBondContact O-CB 3.43Å; L39-H42 PolarHBondContact O-N 3.38Å; L39-H42 VanDerWaalsContact O-N 3.13Å; L39-F45 HydrophobicContact CD1-CD2 3.96Å; L39-F45 HydrophobicContact CD1-CE2 3.73Å; L39-F45 HydrophobicContact CD1-CZ 4.38Å; L39-F45 HydrophobicContact CD2-CD2 4.44Å; L39-F45 HydrophobicContact CG-CD2 3.71Å; L39-F45 HydrophobicContact CG-CE2 4.02Å; L39-F45 HydrophobicContact CG-CG 4.22Å; L39-F45 WeakPolarHBondContact O-CB 3.32Å; L39-F45 WeakPolarHBondContact O-CD2 3.36Å |
| 40 | E | 82 | Confident | 78.1 | Confident | 91 Ų | 91 | 89.7 Ų | 89.7 | 43% | 0.425 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.3 | -24.3 | 179.2 | -74.8 | -175 | 171.7 | 0 | 0 | 112.9 | L36 K37 | L36-E40 WeakPolarHBondContact O-CB 3.31Å; L36-E40 WeakPolarHBondContact O-CG 3.31Å; L36-E40 PolarHBondContact O-N 3.18Å; K37-E40 PolarHBondContact O-N 2.83Å |
| 41 | S | 80.8 | Confident | 77.8 | Confident | 80 Ų | 80 | 90.2 Ų | 90.2 | 56% | 0.559 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -81.3 | -18.6 | 174.7 | 72.9 | 0 | 0 | 0 | 0 | 114.1 | K37 E38 L39 | K37-S41 WeakPolarHBondContact O-CB 3.41Å; K37-S41 PolarHBondContact O-N 3.13Å; K37-S41 PolarHBondContact O-OG 3.22Å; E38-S41 PolarHBondContact O-N 2.67Å; E38-S41 PolarHBondContact O-OG 3.3Å; L39-S41 PolarHBondContact O-N 3.39Å |
| 42 | H | 80.4 | Confident | 77.3 | Confident | 98 Ų | 98 | 94.8 Ų | 94.8 | 45% | 0.454 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -67.1 | 137.2 | 177.3 | -171.7 | -85.2 | 0 | 0 | 0 | 110.4 | E38 L39 A44 F45 M46 | E38-H42 PolarHBondContact O-N 2.96Å; L39-H42 VanDerWaalsContact O-CB 3.31Å; L39-H42 WeakPolarHBondContact O-CB 3.43Å; L39-H42 PolarHBondContact O-N 3.38Å; L39-H42 VanDerWaalsContact O-N 3.13Å; H42-A44 VanDerWaalsContact ND1-CB 3.31Å; H42-A44 WeakPolarHBondContact ND1-CB 3.4Å; H42-A44 PolarHBondContact ND1-N 3.44Å; H42-A44 PolarHBondContact O-N 3.01Å; H42-F45 HydrophobicContact CB-CD2 4.09Å; H42-F45 PolarHBondContact O-N 3.14Å; H42-M46 PolarHBondContact O-N 2.89Å; H42-M46 VanDerWaalsContact O-N 3.14Å |
| 43 | P | 74.9 | Confident | 76.4 | Confident | 58 Ų | 58 | 92.8 Ų | 92.8 | 38% | 0.377 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.5 | -174.5 | 21.3 | -34.4 | 0 | 0 | 0 | 113.7 | F45 V59 L62 | P43-F45 VanDerWaalsContact C-N 3.32Å; P43-F45 PolarHBondContact O-N 2.82Å; P43-V59 HydrophobicContact CB-CG2 3.85Å; P43-L62 HydrophobicContact CB-CD1 4.24Å |
| 44 | A | 73.7 | Confident | 75.6 | Confident | 53 Ų | 53 | 94.8 Ų | 94.8 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H42 | H42-A44 VanDerWaalsContact ND1-CB 3.31Å; H42-A44 WeakPolarHBondContact ND1-CB 3.4Å; H42-A44 PolarHBondContact ND1-N 3.44Å; H42-A44 PolarHBondContact O-N 3.01Å |
| 45 | F | 77 | Confident | 74.8 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 5 | -175.4 | -51 | -70.3 | 0 | 0 | 0 | 113.6 | L39 H42 P43 Q47 | L39-F45 HydrophobicContact CD1-CD2 3.96Å; L39-F45 HydrophobicContact CD1-CE2 3.73Å; L39-F45 HydrophobicContact CD1-CZ 4.38Å; L39-F45 HydrophobicContact CD2-CD2 4.44Å; L39-F45 HydrophobicContact CG-CD2 3.71Å; L39-F45 HydrophobicContact CG-CE2 4.02Å; L39-F45 HydrophobicContact CG-CG 4.22Å; L39-F45 WeakPolarHBondContact O-CB 3.32Å; L39-F45 WeakPolarHBondContact O-CD2 3.36Å; H42-F45 HydrophobicContact CB-CD2 4.09Å; H42-F45 PolarHBondContact O-N 3.14Å; P43-F45 VanDerWaalsContact C-N 3.32Å; P43-F45 PolarHBondContact O-N 2.82Å; F45-Q47 PolarHBondContact O-N 2.91Å |
| 46 | M | 74.7 | Confident | 74.4 | Confident | 73 Ų | 73 | 92.5 Ų | 92.5 | 36% | 0.36 | 50% | 0.503 | S | S | . | . | trans | -61 | 120.1 | -178.3 | -172.2 | 179.3 | -74.9 | 0 | 0 | 111.4 | H42 K48 | H42-M46 PolarHBondContact O-N 2.89Å; H42-M46 VanDerWaalsContact O-N 3.14Å; M46-K48 WeakPolarHBondContact CG-O 3.44Å | ||
| 47 | Q | 70.7 | Confident | 74.1 | Confident | 102 Ų | 102 | 96.2 Ų | 96.2 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -80.4 | -24.9 | -179.4 | -69.7 | -177.8 | 13.9 | 0 | 0 | 113.7 | F45 | F45-Q47 PolarHBondContact O-N 2.91Š|
| 48 | K | 72.5 | Confident | 73.8 | Confident | 141 Ų | 141 | 96.1 Ų | 96.1 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -135.5 | 127.2 | -178.1 | -64.7 | -178.2 | -178.6 | 178.3 | 0 | 108.8 | M46 | M46-K48 WeakPolarHBondContact CG-O 3.44Š|
| 49 | L | 70.1 | Confident | 73.4 | Confident | 67 Ų | 67 | 90.6 Ų | 90.6 | 35% | 0.351 | 50% | 0.5 | S | S | . | . | trans | -66 | 142.1 | 170.3 | -68.2 | 160.7 | 0 | 0 | 0 | 109.1 | D51 V55 V59 | L49-D51 PolarHBondContact O-N 3.07Å; L49-V55 HydrophobicContact CB-CG2 4.42Å; L49-V55 HydrophobicContact CD2-CG1 3.73Å; L49-V55 HydrophobicContact CD2-CG2 4.19Å; L49-V59 HydrophobicContact CD2-CG1 3.34Å | ||
| 50 | P | 68.8 | Low | 73 | Confident | 59 Ų | 59 | 90.8 Ų | 90.8 | 38% | 0.383 | 50% | 0.501 | S | S | . | . | trans | -59 | 130.9 | 169 | 23.4 | -30.3 | 0 | 0 | 0 | 109.4 | D52 | P50-D52 PolarHBondContact O-N 2.95Å; P50-D52 VanDerWaalsContact O-N 3.15Å | ||
| 51 | D | 66.9 | Low | 72.7 | Confident | 168 Ų | 168 | 89.2 Ų | 89.2 | 90% | 0.898 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -5 | 179.2 | -79.4 | -28.5 | 0 | 0 | 0 | 112.4 | L49 G53 | L49-D51 PolarHBondContact O-N 3.07Å; D51-G53 PolarHBondContact O-N 3.41Å |
| 52 | D | 65.9 | Low | 72.3 | Confident | 144 Ų | 144 | 88.7 Ų | 88.7 | 77% | 0.77 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 8.6 | -173.1 | -60.2 | -35.2 | 0 | 0 | 0 | 114.4 | P50 N54 | P50-D52 PolarHBondContact O-N 2.95Å; P50-D52 VanDerWaalsContact O-N 3.15Å; D52-N54 PolarHBondContact O-N 3.19Å |
| 53 | G | 64.3 | Low | 71.8 | Confident | 74 Ų | 74 | 86.5 Ų | 86.5 | 76% | 0.763 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 67.5 | -9.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | D51 V55 | D51-G53 PolarHBondContact O-N 3.41Å; G53-V55 PolarHBondContact O-N 2.97Å |
| 54 | N | 67.6 | Low | 71.7 | Confident | 143 Ų | 143 | 87.1 Ų | 87.1 | 77% | 0.765 | 49% | 0.49 | S | S | * | . | trans | -94.5 | 62.7 | 178.3 | -162.1 | 18.7 | 0 | 0 | 0 | 110.5 | D52 | D52-N54 PolarHBondContact O-N 3.19Š| ||
| 55 | V | 66.5 | Low | 71.7 | Confident | 36 Ų | 36 | 91.3 Ų | 91.3 | 22% | 0.218 | 51% | 0.505 | C | S | . | . | trans | -84.2 | 119 | 172.5 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | L49 G53 V59 L60 | L49-V55 HydrophobicContact CB-CG2 4.42Å; L49-V55 HydrophobicContact CD2-CG1 3.73Å; L49-V55 HydrophobicContact CD2-CG2 4.19Å; G53-V55 PolarHBondContact O-N 2.97Å; V55-V59 HydrophobicContact CG1-CB 3.8Å; V55-V59 HydrophobicContact CG1-CG1 3.8Å; V55-L60 HydrophobicContact CG1-CD2 4.14Å; V55-L60 HydrophobicContact CG1-CG 3.9Å | ||
| 56 | S | 71.3 | Confident | 71.3 | Confident | 52 Ų | 52 | 91.7 Ų | 91.7 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | trans | -67.5 | 149.1 | -179.4 | 83.2 | 0 | 0 | 0 | 0 | 111.3 | E58 V59 L60 | S56-E58 WeakPolarHBondContact CB-OE2 3.47Å; S56-E58 PolarHBondContact O-N 3.07Å; S56-E58 VanDerWaalsContact O-N 3.1Å; S56-E58 PolarHBondContact OG-OE2 2.63Å; S56-V59 WeakPolarHBondContact O-CB 3.37Å; S56-V59 PolarHBondContact O-N 3.36Å; S56-L60 PolarHBondContact O-N 2.85Å | ||
| 57 | D | 77.7 | Confident | 70.8 | Confident | 132 Ų | 132 | 89.8 Ų | 89.8 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.4 | -30.3 | -176.7 | -72.2 | -17.4 | 0 | 0 | 0 | 112 | L60 A61 | D57-L60 PolarHBondContact O-N 3.34Å; D57-A61 WeakPolarHBondContact O-CB 3.2Å; D57-A61 PolarHBondContact O-N 3.45Å |
| 58 | E | 77.7 | Confident | 70.1 | Confident | 123 Ų | 123 | 90.1 Ų | 90.1 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -38.7 | 176.1 | -53.8 | 79.1 | -170.3 | 0 | 0 | 111.9 | S56 A61 L62 | S56-E58 WeakPolarHBondContact CB-OE2 3.47Å; S56-E58 PolarHBondContact O-N 3.07Å; S56-E58 VanDerWaalsContact O-N 3.1Å; S56-E58 PolarHBondContact OG-OE2 2.63Å; E58-A61 PolarHBondContact O-N 3.18Å; E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CG 3.34Å; E58-L62 PolarHBondContact O-N 3.31Å |
| 59 | V | 74.5 | Confident | 69.3 | Low | 20 Ų | 20 | 92.2 Ų | 92.2 | 12% | 0.121 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 178.9 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | P43 L49 V55 S56 L62 Q63 | P43-V59 HydrophobicContact CB-CG2 3.85Å; L49-V59 HydrophobicContact CD2-CG1 3.34Å; V55-V59 HydrophobicContact CG1-CB 3.8Å; V55-V59 HydrophobicContact CG1-CG1 3.8Å; S56-V59 WeakPolarHBondContact O-CB 3.37Å; S56-V59 PolarHBondContact O-N 3.36Å; V59-L62 PolarHBondContact O-N 2.98Å; V59-Q63 WeakPolarHBondContact O-CB 3.43Å; V59-Q63 PolarHBondContact O-N 3.38Å |
| 60 | L | 74.2 | Confident | 68.5 | Low | 79 Ų | 79 | 96.6 Ų | 96.6 | 41% | 0.414 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 172.2 | -71.5 | 172.9 | 0 | 0 | 0 | 111.4 | V55 S56 D57 L62 Q63 S64 | V55-L60 HydrophobicContact CG1-CD2 4.14Å; V55-L60 HydrophobicContact CG1-CG 3.9Å; S56-L60 PolarHBondContact O-N 2.85Å; D57-L60 PolarHBondContact O-N 3.34Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.24Å; L60-Q63 WeakPolarHBondContact O-CB 3.05Å; L60-Q63 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-N 3.04Å; L60-S64 PolarHBondContact O-OG 2.91Å; L60-S64 VanDerWaalsContact O-OG 3.11Å |
| 61 | A | 76.8 | Confident | 68.1 | Low | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D57 E58 Q63 S64 L65 | D57-A61 WeakPolarHBondContact O-CB 3.2Å; D57-A61 PolarHBondContact O-N 3.45Å; E58-A61 PolarHBondContact O-N 3.18Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-S64 PolarHBondContact O-N 3.38Å; A61-L65 WeakPolarHBondContact O-CB 3.37Å; A61-L65 PolarHBondContact O-N 2.89Å |
| 62 | L | 72.6 | Confident | 68.3 | Low | 68 Ų | 68 | 91.2 Ų | 91.2 | 36% | 0.356 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 174.1 | -74.2 | 168.4 | 0 | 0 | 0 | 111.9 | P43 E58 V59 L60 L65 K66 | P43-L62 HydrophobicContact CB-CD1 4.24Å; E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CG 3.34Å; E58-L62 PolarHBondContact O-N 3.31Å; V59-L62 PolarHBondContact O-N 2.98Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.24Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.27Å; L62-K66 PolarHBondContact O-N 3.12Å |
| 63 | Q | 70.1 | Confident | 68.8 | Low | 52 Ų | 52 | 88 Ų | 88 | 24% | 0.243 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 175.7 | -174.3 | 174.5 | 9.5 | 0 | 0 | 111.2 | V59 L60 A61 L65 K66 Y67 | V59-Q63 WeakPolarHBondContact O-CB 3.43Å; V59-Q63 PolarHBondContact O-N 3.38Å; L60-Q63 WeakPolarHBondContact O-CB 3.05Å; L60-Q63 PolarHBondContact O-N 3.46Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 2.97Å; Q63-K66 PolarHBondContact O-N 2.69Å; Q63-K66 VanDerWaalsContact O-N 3.12Å; Q63-Y67 HydrophobicContact CG-CD2 3.77Å; Q63-Y67 HydrophobicContact CG-CE2 3.85Å; Q63-Y67 WeakPolarHBondContact O-CD2 3.13Å; Q63-Y67 PolarHBondContact O-N 2.71Å; Q63-Y67 VanDerWaalsContact O-N 3.07Å |
| 64 | S | 71.6 | Confident | 69.6 | Low | 71 Ų | 71 | 84.5 Ų | 84.5 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.8 | -30.7 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | L60 A61 Y67 | L60-S64 PolarHBondContact O-N 3.04Å; L60-S64 PolarHBondContact O-OG 2.91Å; L60-S64 VanDerWaalsContact O-OG 3.11Å; A61-S64 PolarHBondContact O-N 3.38Å; S64-Y67 CarbonylContact O-C 3.57Å |
| 65 | L | 73.3 | Confident | 70.4 | Confident | 142 Ų | 142 | 79.8 Ų | 79.8 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -71.7 | -32.7 | 173.5 | -160.6 | 78.8 | 0 | 0 | 0 | 112.5 | A61 L62 Q63 | A61-L65 WeakPolarHBondContact O-CB 3.37Å; A61-L65 PolarHBondContact O-N 2.89Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.27Å; Q63-L65 PolarHBondContact O-N 2.97Å |
| 66 | K | 68.9 | Low | 71.3 | Confident | 121 Ų | 121 | 78.8 Ų | 78.8 | 53% | 0.526 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.9 | -35 | 176.2 | -173.8 | -177.7 | 176.7 | -160.4 | 0 | 111.9 | L62 Q63 D80 | L62-K66 PolarHBondContact O-N 3.12Å; Q63-K66 PolarHBondContact O-N 2.69Å; Q63-K66 VanDerWaalsContact O-N 3.12Å; K66-D80 IonicContact NZ-OD2 3.93Å; K66-D80 PolarHBondContact NZ-OD2 3.24Å |
| 67 | Y | 63.8 | Low | 72.1 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 13% | 0.125 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -116.5 | 99 | -176.8 | -55.3 | -71 | 0 | 0 | 0 | 109.3 | Q63 S64 E69 Q73 C76 | Q63-Y67 HydrophobicContact CG-CD2 3.77Å; Q63-Y67 HydrophobicContact CG-CE2 3.85Å; Q63-Y67 WeakPolarHBondContact O-CD2 3.13Å; Q63-Y67 PolarHBondContact O-N 2.71Å; Q63-Y67 VanDerWaalsContact O-N 3.07Å; S64-Y67 CarbonylContact O-C 3.57Å; Y67-E69 PolarHBondContact O-N 2.83Å; Y67-Q73 HydrophobicContact CD1-CG 4.48Å; Y67-Q73 HydrophobicContact CG-CG 4.24Å; Y67-C76 HydrophobicContact CD1-CB 3.44Å; Y67-C76 VanDerWaalsContact CD1-CB 3.44Å; Y67-C76 HydrophobicContact CE1-CB 3.52Å |
| 68 | D | 58 | Low | 72.7 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | trans | -49.8 | 130.4 | 170.2 | -63.5 | -43.6 | 0 | 0 | 0 | 109.2 | D70 E71 | D68-D70 PolarHBondContact O-N 3.5Å; D68-E71 PolarHBondContact O-N 3.49Å | ||
| 69 | E | 55.6 | Low | 73.3 | Confident | 184 Ų | 184 | 71.2 Ų | 71.2 | 86% | 0.86 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -25.4 | -175.8 | -65.9 | -176.3 | 162.1 | 0 | 0 | 112.9 | Y67 | Y67-E69 PolarHBondContact O-N 2.83Š|
| 70 | D | 52.9 | Low | 74.1 | Confident | 159 Ų | 159 | 71.5 Ų | 71.5 | 85% | 0.85 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -24.5 | -179.1 | -64.1 | -46.2 | 0 | 0 | 0 | 114.2 | D68 | D68-D70 PolarHBondContact O-N 3.5Š|
| 71 | E | 60.8 | Low | 74.9 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -88.2 | 121.3 | 174.1 | -82.7 | -151.2 | 165.3 | 0 | 0 | 109.8 | D68 Q73 C76 K79 | D68-E71 PolarHBondContact O-N 3.49Å; E71-Q73 PolarHBondContact O-N 2.86Å; E71-C76 PolarHBondContact OE2-SG 3.09Å; E71-K79 IonicContact OE1-NZ 2.91Å; E71-K79 PolarHBondContact OE1-NZ 2.96Å; E71-K79 IonicContact OE2-NZ 3.04Å; E71-K79 PolarHBondContact OE2-NZ 3.34Å |
| 72 | P | 70.8 | Confident | 75.7 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | trans | -55.1 | 125.3 | 173.7 | 22.4 | -34.5 | 0 | 0 | 0 | 108.6 | A74 L75 | P72-A74 CarbonylContact O-C 3.57Å; P72-A74 PolarHBondContact O-N 3.02Å; P72-L75 HydrophobicContact CG-CB 4.2Å; P72-L75 HydrophobicContact CG-CD1 3.53Å; P72-L75 HydrophobicContact CG-CG 3.69Å; P72-L75 WeakPolarHBondContact O-CB 3.48Å; P72-L75 PolarHBondContact O-N 3.49Å | ||
| 73 | Q | 75.4 | Confident | 76.7 | Confident | 77 Ų | 77 | 70 Ų | 70 | 36% | 0.36 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -45.2 | -30.1 | -177.5 | -66.7 | 177.5 | -1.8 | 0 | 0 | 113.2 | Y67 E71 C76 L77 | Y67-Q73 HydrophobicContact CD1-CG 4.48Å; Y67-Q73 HydrophobicContact CG-CG 4.24Å; E71-Q73 PolarHBondContact O-N 2.86Å; Q73-C76 PolarHBondContact O-N 3.07Å; Q73-L77 WeakPolarHBondContact O-CG 3.35Å; Q73-L77 PolarHBondContact O-N 3.27Å |
| 74 | A | 82.2 | Confident | 77.8 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.4 | -29.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P72 K78 A100 C105 L110 L114 | P72-A74 CarbonylContact O-C 3.57Å; P72-A74 PolarHBondContact O-N 3.02Å; A74-K78 WeakPolarHBondContact O-CB 3.48Å; A74-K78 PolarHBondContact O-N 3.17Å; A74-A100 HydrophobicContact CB-CB 4.1Å; A74-C105 WeakPolarHBondContact CB-SG 3.39Å; A74-L110 HydrophobicContact CB-CD2 4.01Å; A74-L114 HydrophobicContact CB-CD1 4.42Å |
| 75 | L | 84.5 | Confident | 78.8 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 171.4 | -79.6 | 178.8 | 0 | 0 | 0 | 111.1 | P72 K78 K79 L110 | P72-L75 HydrophobicContact CG-CB 4.2Å; P72-L75 HydrophobicContact CG-CD1 3.53Å; P72-L75 HydrophobicContact CG-CG 3.69Å; P72-L75 WeakPolarHBondContact O-CB 3.48Å; P72-L75 PolarHBondContact O-N 3.49Å; L75-K78 HydrophobicContact CD2-CD 4.39Å; L75-K78 WeakPolarHBondContact O-CB 3.46Å; L75-K78 PolarHBondContact O-N 3.45Å; L75-K79 WeakPolarHBondContact O-CG 3.38Å; L75-K79 PolarHBondContact O-N 3.31Å; L75-L110 HydrophobicContact CD2-CD1 3.59Å; L75-L110 HydrophobicContact CD2-CD2 4.18Å; L75-L110 HydrophobicContact CG-CD1 4.38Å; L75-L110 HydrophobicContact CG-CD2 4.09Å |
| 76 | C | 84.3 | Confident | 79.8 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 11% | 0.108 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | Y67 E71 Q73 K78 K79 D80 | Y67-C76 HydrophobicContact CD1-CB 3.44Å; Y67-C76 VanDerWaalsContact CD1-CB 3.44Å; Y67-C76 HydrophobicContact CE1-CB 3.52Å; E71-C76 PolarHBondContact OE2-SG 3.09Å; Q73-C76 PolarHBondContact O-N 3.07Å; C76-K78 VanDerWaalsContact C-N 3.29Å; C76-K78 PolarHBondContact O-N 3.12Å; C76-K79 WeakPolarHBondContact O-CA 3.38Å; C76-K79 WeakPolarHBondContact O-CB 3.43Å; C76-K79 PolarHBondContact O-N 3.08Å; C76-D80 PolarHBondContact O-N 2.93Å |
| 77 | L | 88.2 | Confident | 81 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 174.7 | -71 | 164 | 0 | 0 | 0 | 112.6 | Q73 D80 G81 E99 A100 K103 | Q73-L77 WeakPolarHBondContact O-CG 3.35Å; Q73-L77 PolarHBondContact O-N 3.27Å; L77-D80 PolarHBondContact O-N 3.18Å; L77-G81 PolarHBondContact O-N 2.92Å; L77-E99 HydrophobicContact CD1-CB 4.23Å; L77-E99 HydrophobicContact CD2-CB 4.4Å; L77-A100 HydrophobicContact CB-CB 3.68Å; L77-A100 HydrophobicContact CD1-CB 4.21Å; L77-K103 HydrophobicContact CD1-CG 4.17Å |
| 78 | K | 90.4 | Very high | 82.3 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 171.2 | -176.9 | -159.8 | 73 | -174.6 | 0 | 111.1 | A74 L75 C76 G81 N82 L110 V113 L114 | A74-K78 WeakPolarHBondContact O-CB 3.48Å; A74-K78 PolarHBondContact O-N 3.17Å; L75-K78 HydrophobicContact CD2-CD 4.39Å; L75-K78 WeakPolarHBondContact O-CB 3.46Å; L75-K78 PolarHBondContact O-N 3.45Å; C76-K78 VanDerWaalsContact C-N 3.29Å; C76-K78 PolarHBondContact O-N 3.12Å; K78-G81 PolarHBondContact O-N 3.11Å; K78-N82 WeakPolarHBondContact O-CB 3.49Å; K78-N82 PolarHBondContact O-N 3.17Å; K78-N82 PolarHBondContact O-OD1 3.28Å; K78-L110 HydrophobicContact CD-CD1 4.12Å; K78-V113 HydrophobicContact CD-CG1 4.35Å; K78-L114 HydrophobicContact CB-CD2 3.84Å; K78-L114 HydrophobicContact CG-CD2 4.05Å |
| 79 | K | 90.5 | Very high | 84 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -45 | 177.3 | -71.9 | 170.6 | -176.9 | 168.8 | 0 | 110.2 | E71 L75 C76 N82 K83 | E71-K79 IonicContact OE1-NZ 2.91Å; E71-K79 PolarHBondContact OE1-NZ 2.96Å; E71-K79 IonicContact OE2-NZ 3.04Å; E71-K79 PolarHBondContact OE2-NZ 3.34Å; L75-K79 WeakPolarHBondContact O-CG 3.38Å; L75-K79 PolarHBondContact O-N 3.31Å; C76-K79 WeakPolarHBondContact O-CA 3.38Å; C76-K79 WeakPolarHBondContact O-CB 3.43Å; C76-K79 PolarHBondContact O-N 3.08Å; K79-N82 WeakPolarHBondContact O-CB 3.32Å; K79-N82 PolarHBondContact O-N 3.24Å; K79-K83 WeakPolarHBondContact O-CG 3.37Å; K79-K83 PolarHBondContact O-N 3.16Å |
| 80 | D | 90.4 | Very high | 85.7 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 177 | -72.6 | -12.9 | 0 | 0 | 0 | 111.5 | K66 C76 L77 N82 K83 W84 | K66-D80 IonicContact NZ-OD2 3.93Å; K66-D80 PolarHBondContact NZ-OD2 3.24Å; C76-D80 PolarHBondContact O-N 2.93Å; L77-D80 PolarHBondContact O-N 3.18Å; D80-N82 VanDerWaalsContact C-N 3.3Å; D80-N82 PolarHBondContact O-N 2.89Å; D80-K83 WeakPolarHBondContact O-CB 3.48Å; D80-K83 PolarHBondContact O-N 3.1Å; D80-K83 VanDerWaalsContact O-N 3.09Å; D80-K83 IonicContact OD1-NZ 2.96Å; D80-K83 PolarHBondContact OD1-NZ 3.42Å; D80-W84 PolarHBondContact O-N 2.94Å |
| 81 | G | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.5 | -36.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L77 K78 W84 F85 A93 Y97 | L77-G81 PolarHBondContact O-N 2.92Å; K78-G81 PolarHBondContact O-N 3.11Å; G81-W84 PolarHBondContact O-N 3.47Å; G81-F85 WeakPolarHBondContact O-CB 3.21Å; G81-F85 PolarHBondContact O-N 3.38Å; G81-A93 WeakPolarHBondContact O-CB 3.26Å; G81-Y97 PolarHBondContact O-OH 2.86Å |
| 82 | N | 92.5 | Very high | 89.1 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 174.2 | -73.6 | -10 | 0 | 0 | 0 | 111.4 | K78 K79 D80 W84 F85 E86 Y97 N117 | K78-N82 WeakPolarHBondContact O-CB 3.49Å; K78-N82 PolarHBondContact O-N 3.17Å; K78-N82 PolarHBondContact O-OD1 3.28Å; K79-N82 WeakPolarHBondContact O-CB 3.32Å; K79-N82 PolarHBondContact O-N 3.24Å; D80-N82 VanDerWaalsContact C-N 3.3Å; D80-N82 PolarHBondContact O-N 2.89Å; N82-W84 PolarHBondContact O-N 3.34Å; N82-F85 WeakPolarHBondContact O-CB 3.38Å; N82-F85 PolarHBondContact O-N 3.12Å; N82-F85 VanDerWaalsContact O-N 3.16Å; N82-E86 PolarHBondContact O-N 2.89Å; N82-Y97 PolarHBondContact N-OH 2.88Å; N82-Y97 PolarHBondContact OD1-OH 3.07Å; N82-N117 PolarHBondContact OD1-ND2 3.44Å; N82-N117 VanDerWaalsContact OD1-ND2 3.16Å |
| 83 | K | 93.8 | Very high | 90.2 | Very high | 117 Ų | 117 | 61.2 Ų | 61.2 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 174.5 | -65 | 169.8 | -169 | 159.3 | 0 | 110.7 | K79 D80 F85 E86 L87 | K79-K83 WeakPolarHBondContact O-CG 3.37Å; K79-K83 PolarHBondContact O-N 3.16Å; D80-K83 WeakPolarHBondContact O-CB 3.48Å; D80-K83 PolarHBondContact O-N 3.1Å; D80-K83 VanDerWaalsContact O-N 3.09Å; D80-K83 IonicContact OD1-NZ 2.96Å; D80-K83 PolarHBondContact OD1-NZ 3.42Å; K83-F85 VanDerWaalsContact C-N 3.26Å; K83-F85 PolarHBondContact O-N 2.96Å; K83-E86 PolarHBondContact O-N 3.29Å; K83-L87 WeakPolarHBondContact O-CG 3.38Å; K83-L87 PolarHBondContact O-N 3.04Å |
| 84 | W | 92.9 | Very high | 91.1 | Very high | 60 Ų | 60 | 58.9 Ų | 58.9 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -33.4 | 176.2 | -66.6 | 118.9 | 0 | 0 | 0 | 113 | D80 G81 N82 L87 K88 Q89 R92 A93 D96 | D80-W84 PolarHBondContact O-N 2.94Å; G81-W84 PolarHBondContact O-N 3.47Å; N82-W84 PolarHBondContact O-N 3.34Å; W84-L87 HydrophobicContact CE3-CD1 3.85Å; W84-L87 HydrophobicContact CZ3-CD1 4Å; W84-L87 CarbonylContact O-C 3.6Å; W84-L87 PolarHBondContact O-N 3.34Å; W84-K88 PolarHBondContact O-N 2.82Å; W84-Q89 HydrophobicContact CE3-CB 4.1Å; W84-Q89 HydrophobicContact CE3-CG 4.45Å; W84-Q89 CarbonylContact O-C 3.38Å; W84-Q89 PolarHBondContact O-N 3.03Å; W84-R92 HydrophobicContact CB-CB 4.31Å; W84-R92 HydrophobicContact CD2-CB 3.91Å; W84-R92 HydrophobicContact CE3-CB 4.28Å; W84-R92 HydrophobicContact CG-CB 3.92Å; W84-A93 HydrophobicContact CB-CB 3.81Å; W84-D96 PolarHBondContact NE1-OD2 2.97Å |
| 85 | F | 93.3 | Very high | 91.6 | Very high | 60 Ų | 60 | 63.5 Ų | 63.5 | 26% | 0.263 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 175 | -172.4 | -89.9 | 0 | 0 | 0 | 111.8 | G81 N82 K83 K88 Y90 A93 A120 A121 R124 | G81-F85 WeakPolarHBondContact O-CB 3.21Å; G81-F85 PolarHBondContact O-N 3.38Å; N82-F85 WeakPolarHBondContact O-CB 3.38Å; N82-F85 PolarHBondContact O-N 3.12Å; N82-F85 VanDerWaalsContact O-N 3.16Å; K83-F85 VanDerWaalsContact C-N 3.26Å; K83-F85 PolarHBondContact O-N 2.96Å; F85-K88 PolarHBondContact O-N 2.97Å; F85-Y90 AromaticContact CD2-CD1 3.79Å; F85-Y90 HydrophobicContact CD2-CD1 3.79Å; F85-Y90 AromaticContact CD2-CE1 3.97Å; F85-Y90 HydrophobicContact CD2-CE1 3.97Å; F85-Y90 AromaticContact CE2-CD1 3.94Å; F85-Y90 HydrophobicContact CE2-CD1 3.94Å; F85-Y90 AromaticContact CE2-CE1 3.88Å; F85-Y90 HydrophobicContact CE2-CE1 3.88Å; F85-Y90 HydrophobicContact CG-CE1 4.49Å; F85-Y90 HydrophobicContact CZ-CE1 4.33Å; F85-A93 HydrophobicContact CB-CB 4.39Å; F85-A120 HydrophobicContact CE2-CB 4.1Å; F85-A120 HydrophobicContact CZ-CB 4.28Å; F85-A121 HydrophobicContact CD2-CB 4.14Å; F85-A121 HydrophobicContact CE2-CB 4.34Å; F85-R124 HydrophobicContact CE2-CG 4.28Å; F85-R124 HydrophobicContact CZ-CG 4.42Å |
| 86 | E | 93.8 | Very high | 92 | Very high | 154 Ų | 154 | 62.5 Ų | 62.5 | 72% | 0.72 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.9 | -39.3 | 173.9 | -71.3 | 174.6 | -172.9 | 0 | 0 | 112 | N82 K83 K88 | N82-E86 PolarHBondContact O-N 2.89Å; K83-E86 PolarHBondContact O-N 3.29Å; E86-K88 PolarHBondContact O-N 3.45Å |
| 87 | L | 93.7 | Very high | 92.4 | Very high | 108 Ų | 108 | 61.8 Ų | 61.8 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 4.3 | 173.3 | -65.6 | 174.6 | 0 | 0 | 0 | 113.7 | K83 W84 Q89 | K83-L87 WeakPolarHBondContact O-CG 3.38Å; K83-L87 PolarHBondContact O-N 3.04Å; W84-L87 HydrophobicContact CE3-CD1 3.85Å; W84-L87 HydrophobicContact CZ3-CD1 4Å; W84-L87 CarbonylContact O-C 3.6Å; W84-L87 PolarHBondContact O-N 3.34Å; L87-Q89 HydrophobicContact CB-CG 4.35Å; L87-Q89 PolarHBondContact O-N 3.4Å |
| 88 | K | 91.7 | Very high | 92.6 | Very high | 157 Ų | 157 | 63.3 Ų | 63.3 | 68% | 0.683 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 14.3 | -176.3 | -54.9 | 176.2 | -178.2 | 174 | 0 | 114 | W84 F85 E86 Y90 | W84-K88 PolarHBondContact O-N 2.82Å; F85-K88 PolarHBondContact O-N 2.97Å; E86-K88 PolarHBondContact O-N 3.45Å; K88-Y90 VanDerWaalsContact C-N 3.29Å; K88-Y90 HydrophobicContact CB-CE2 4.33Å; K88-Y90 WeakPolarHBondContact O-CD2 3.4Å; K88-Y90 WeakPolarHBondContact O-CE2 3.42Å; K88-Y90 PolarHBondContact O-N 3.37Å; K88-Y90 VanDerWaalsContact O-N 3.12Å |
| 89 | Q | 93 | Very high | 92.6 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | trans | -89 | 68 | 176.7 | -64.1 | -168.8 | 6.7 | 0 | 0 | 109.8 | W84 L87 G91 R92 A93 | W84-Q89 HydrophobicContact CE3-CB 4.1Å; W84-Q89 HydrophobicContact CE3-CG 4.45Å; W84-Q89 CarbonylContact O-C 3.38Å; W84-Q89 PolarHBondContact O-N 3.03Å; L87-Q89 HydrophobicContact CB-CG 4.35Å; L87-Q89 PolarHBondContact O-N 3.4Å; Q89-G91 VanDerWaalsContact C-N 3.26Å; Q89-G91 PolarHBondContact O-N 3.26Å; Q89-R92 HydrophobicContact CB-CB 4.44Å; Q89-R92 PolarHBondContact O-N 3.16Å; Q89-R92 VanDerWaalsContact O-N 3.17Å; Q89-A93 PolarHBondContact O-N 2.97Å; Q89-A93 VanDerWaalsContact O-N 3.08Å | ||
| 90 | Y | 93.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 59.9 Ų | 59.9 | 18% | 0.18 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -32.4 | -173.8 | -51 | -61.8 | 0 | 0 | 0 | 113.4 | F85 K88 A93 I94 R124 L125 | F85-Y90 AromaticContact CD2-CD1 3.79Å; F85-Y90 HydrophobicContact CD2-CD1 3.79Å; F85-Y90 AromaticContact CD2-CE1 3.97Å; F85-Y90 HydrophobicContact CD2-CE1 3.97Å; F85-Y90 AromaticContact CE2-CD1 3.94Å; F85-Y90 HydrophobicContact CE2-CD1 3.94Å; F85-Y90 AromaticContact CE2-CE1 3.88Å; F85-Y90 HydrophobicContact CE2-CE1 3.88Å; F85-Y90 HydrophobicContact CG-CE1 4.49Å; F85-Y90 HydrophobicContact CZ-CE1 4.33Å; K88-Y90 VanDerWaalsContact C-N 3.29Å; K88-Y90 HydrophobicContact CB-CE2 4.33Å; K88-Y90 WeakPolarHBondContact O-CD2 3.4Å; K88-Y90 WeakPolarHBondContact O-CE2 3.42Å; K88-Y90 PolarHBondContact O-N 3.37Å; K88-Y90 VanDerWaalsContact O-N 3.12Å; Y90-A93 PolarHBondContact O-N 3.4Å; Y90-I94 WeakPolarHBondContact O-CD1 2.98Å; Y90-I94 VanDerWaalsContact O-CG1 3.26Å; Y90-I94 WeakPolarHBondContact O-CG1 3.46Å; Y90-I94 PolarHBondContact O-N 3.46Å; Y90-R124 HydrophobicContact CD1-CB 3.74Å; Y90-R124 HydrophobicContact CD1-CG 4.09Å; Y90-R124 HydrophobicContact CD2-CB 3.61Å; Y90-R124 HydrophobicContact CE1-CB 3.67Å; Y90-R124 HydrophobicContact CE1-CG 3.65Å; Y90-R124 HydrophobicContact CE2-CB 3.55Å; Y90-R124 HydrophobicContact CE2-CG 4.23Å; Y90-R124 HydrophobicContact CG-CB 3.71Å; Y90-L125 HydrophobicContact CD2-CD2 4.27Å |
| 91 | G | 92.9 | Very high | 92.4 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q89 R95 | Q89-G91 VanDerWaalsContact C-N 3.26Å; Q89-G91 PolarHBondContact O-N 3.26Å; G91-R95 PolarHBondContact O-N 3.02Å |
| 92 | R | 91.2 | Very high | 92.1 | Very high | 101 Ų | 101 | 67.1 Ų | 67.1 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.7 | -42.8 | 175.1 | -62.8 | -166.6 | -172.4 | -180 | -7 | 111 | W84 Q89 I94 R95 D96 | W84-R92 HydrophobicContact CB-CB 4.31Å; W84-R92 HydrophobicContact CD2-CB 3.91Å; W84-R92 HydrophobicContact CE3-CB 4.28Å; W84-R92 HydrophobicContact CG-CB 3.92Å; Q89-R92 HydrophobicContact CB-CB 4.44Å; Q89-R92 PolarHBondContact O-N 3.16Å; Q89-R92 VanDerWaalsContact O-N 3.17Å; R92-I94 VanDerWaalsContact C-N 3.28Å; R92-I94 PolarHBondContact O-N 3.2Å; R92-R95 WeakPolarHBondContact O-CB 3.5Å; R92-R95 PolarHBondContact O-N 2.86Å; R92-D96 PolarHBondContact O-N 3.19Å; R92-D96 VanDerWaalsContact O-N 3.12Å |
| 93 | A | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.4 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G81 W84 F85 Q89 Y90 R95 D96 Y97 | G81-A93 WeakPolarHBondContact O-CB 3.26Å; W84-A93 HydrophobicContact CB-CB 3.81Å; F85-A93 HydrophobicContact CB-CB 4.39Å; Q89-A93 PolarHBondContact O-N 2.97Å; Q89-A93 VanDerWaalsContact O-N 3.08Å; Y90-A93 PolarHBondContact O-N 3.4Å; A93-R95 VanDerWaalsContact C-N 3.33Å; A93-R95 PolarHBondContact O-N 2.98Å; A93-D96 PolarHBondContact O-N 3.16Å; A93-Y97 HydrophobicContact CB-CD2 4.47Å; A93-Y97 HydrophobicContact CB-CE2 3.95Å; A93-Y97 WeakPolarHBondContact O-CD2 3.42Å; A93-Y97 VanDerWaalsContact O-CG 3.26Å; A93-Y97 PolarHBondContact O-N 3.41Å |
| 94 | I | 94.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 72 Ų | 72 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 177.5 | -70.4 | 162 | 0 | 0 | 0 | 111.9 | Y90 R92 T98 R118 A121 N122 L125 | Y90-I94 WeakPolarHBondContact O-CD1 2.98Å; Y90-I94 VanDerWaalsContact O-CG1 3.26Å; Y90-I94 WeakPolarHBondContact O-CG1 3.46Å; Y90-I94 PolarHBondContact O-N 3.46Å; R92-I94 VanDerWaalsContact C-N 3.28Å; R92-I94 PolarHBondContact O-N 3.2Å; I94-T98 VanDerWaalsContact O-CB 3.29Å; I94-T98 WeakPolarHBondContact O-CB 3.43Å; I94-T98 PolarHBondContact O-N 2.92Å; I94-T98 PolarHBondContact O-OG1 3.46Å; I94-R118 HydrophobicContact CG1-CG 4.44Å; I94-R118 HydrophobicContact CG2-CG 4.29Å; I94-A121 HydrophobicContact CD1-CB 4.14Å; I94-A121 HydrophobicContact CG1-CB 3.61Å; I94-N122 WeakPolarHBondContact CD1-OD1 3.42Å; I94-L125 HydrophobicContact CD1-CD1 3.39Å; I94-L125 HydrophobicContact CD1-CG 4.39Å |
| 95 | R | 93.2 | Very high | 89 | Confident | 97 Ų | 97 | 70 Ų | 70 | 37% | 0.366 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 176.6 | -73.3 | 177.2 | 53 | -156.6 | -14.4 | 110.4 | G91 R92 A93 Y97 T98 E99 | G91-R95 PolarHBondContact O-N 3.02Å; R92-R95 WeakPolarHBondContact O-CB 3.5Å; R92-R95 PolarHBondContact O-N 2.86Å; A93-R95 VanDerWaalsContact C-N 3.33Å; A93-R95 PolarHBondContact O-N 2.98Å; R95-Y97 PolarHBondContact O-N 3.41Å; R95-T98 CarbonylContact O-C 3.57Å; R95-T98 WeakPolarHBondContact O-CA 3.39Å; R95-T98 WeakPolarHBondContact O-CB 3.44Å; R95-T98 PolarHBondContact O-N 3.24Å; R95-E99 PolarHBondContact O-N 3.07Å |
| 96 | D | 91.7 | Very high | 88.1 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | -179.6 | -68.6 | 9.7 | 0 | 0 | 0 | 111.8 | W84 R92 A93 T98 E99 A100 | W84-D96 PolarHBondContact NE1-OD2 2.97Å; R92-D96 PolarHBondContact O-N 3.19Å; R92-D96 VanDerWaalsContact O-N 3.12Å; A93-D96 PolarHBondContact O-N 3.16Å; D96-T98 VanDerWaalsContact C-N 3.29Å; D96-T98 PolarHBondContact O-N 3.27Å; D96-E99 PolarHBondContact O-N 3.42Å; D96-A100 WeakPolarHBondContact O-CB 3.22Å; D96-A100 PolarHBondContact O-N 2.74Å |
| 97 | Y | 93.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 173.7 | -63.6 | -43.1 | 0 | 0 | 0 | 112.6 | G81 N82 A93 R95 A100 L101 L114 N117 R118 A121 | G81-Y97 PolarHBondContact O-OH 2.86Å; N82-Y97 PolarHBondContact N-OH 2.88Å; N82-Y97 PolarHBondContact OD1-OH 3.07Å; A93-Y97 HydrophobicContact CB-CD2 4.47Å; A93-Y97 HydrophobicContact CB-CE2 3.95Å; A93-Y97 WeakPolarHBondContact O-CD2 3.42Å; A93-Y97 VanDerWaalsContact O-CG 3.26Å; A93-Y97 PolarHBondContact O-N 3.41Å; R95-Y97 PolarHBondContact O-N 3.41Å; Y97-A100 PolarHBondContact O-N 3.29Å; Y97-L101 VanDerWaalsContact O-CG 3.29Å; Y97-L101 WeakPolarHBondContact O-CG 3.45Å; Y97-L101 PolarHBondContact O-N 3.43Å; Y97-L114 HydrophobicContact CD1-CD2 4Å; Y97-N117 HydrophobicContact CD1-CB 4.32Å; Y97-N117 HydrophobicContact CD2-CB 4.37Å; Y97-N117 HydrophobicContact CE1-CB 3.81Å; Y97-N117 HydrophobicContact CE2-CB 3.88Å; Y97-R118 HydrophobicContact CD2-CB 4.22Å; Y97-R118 HydrophobicContact CG-CB 4.48Å; Y97-A121 HydrophobicContact CE2-CB 4.41Å |
| 98 | T | 92.5 | Very high | 86.9 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.2 | -38.8 | 178 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | I94 R95 D96 L101 K102 | I94-T98 VanDerWaalsContact O-CB 3.29Å; I94-T98 WeakPolarHBondContact O-CB 3.43Å; I94-T98 PolarHBondContact O-N 2.92Å; I94-T98 PolarHBondContact O-OG1 3.46Å; R95-T98 CarbonylContact O-C 3.57Å; R95-T98 WeakPolarHBondContact O-CA 3.39Å; R95-T98 WeakPolarHBondContact O-CB 3.44Å; R95-T98 PolarHBondContact O-N 3.24Å; D96-T98 VanDerWaalsContact C-N 3.29Å; D96-T98 PolarHBondContact O-N 3.27Å; T98-L101 PolarHBondContact O-N 3.21Å; T98-K102 WeakPolarHBondContact O-CG 3.11Å; T98-K102 PolarHBondContact O-N 2.88Å |
| 99 | E | 89.7 | Confident | 86.6 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 171.8 | -71.6 | 178.7 | -165.2 | 0 | 0 | 111.1 | L77 R95 D96 L101 K102 K103 | L77-E99 HydrophobicContact CD1-CB 4.23Å; L77-E99 HydrophobicContact CD2-CB 4.4Å; R95-E99 PolarHBondContact O-N 3.07Å; D96-E99 PolarHBondContact O-N 3.42Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 3.17Å; E99-K102 WeakPolarHBondContact O-CB 3.47Å; E99-K102 PolarHBondContact O-N 3.49Å; E99-K102 VanDerWaalsContact O-N 3.1Å; E99-K103 WeakPolarHBondContact O-CG 3.4Å; E99-K103 PolarHBondContact O-N 2.9Å; E99-K103 VanDerWaalsContact O-N 3.11Å |
| 100 | A | 89.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A74 L77 D96 Y97 K103 L114 | A74-A100 HydrophobicContact CB-CB 4.1Å; L77-A100 HydrophobicContact CB-CB 3.68Å; L77-A100 HydrophobicContact CD1-CB 4.21Å; D96-A100 WeakPolarHBondContact O-CB 3.22Å; D96-A100 PolarHBondContact O-N 2.74Å; Y97-A100 PolarHBondContact O-N 3.29Å; A100-K103 PolarHBondContact O-N 3Å; A100-L114 HydrophobicContact CB-CD1 3.76Å; A100-L114 HydrophobicContact CB-CD2 3.67Å; A100-L114 HydrophobicContact CB-CG 4.37Å |
| 101 | L | 88.4 | Confident | 86 | Confident | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.1 | -34.5 | 175.9 | -72.1 | 169.3 | 0 | 0 | 0 | 112.5 | Y97 T98 E99 K103 Q104 L114 Y115 | Y97-L101 VanDerWaalsContact O-CG 3.29Å; Y97-L101 WeakPolarHBondContact O-CG 3.45Å; Y97-L101 PolarHBondContact O-N 3.43Å; T98-L101 PolarHBondContact O-N 3.21Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 3.17Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.15Å; L101-Q104 PolarHBondContact O-N 3.37Å; L101-L114 HydrophobicContact CD2-CB 3.79Å; L101-L114 HydrophobicContact CD2-CD1 4.01Å; L101-L114 HydrophobicContact CG-CB 4.09Å; L101-L114 HydrophobicContact CG-CD1 4.3Å; L101-Y115 HydrophobicContact CD1-CD1 3.9Å; L101-Y115 HydrophobicContact CD1-CE1 3.63Å; L101-Y115 HydrophobicContact CD1-CE2 4.29Å; L101-Y115 HydrophobicContact CD1-CG 4.35Å; L101-Y115 HydrophobicContact CD2-CD2 3.87Å; L101-Y115 HydrophobicContact CD2-CE1 4.36Å; L101-Y115 HydrophobicContact CD2-CE2 3.48Å; L101-Y115 VanDerWaalsContact CD2-CE2 3.48Å; L101-Y115 HydrophobicContact CD2-CG 4.41Å |
| 102 | K | 86.8 | Confident | 85.8 | Confident | 157 Ų | 157 | 64.1 Ų | 64.1 | 68% | 0.683 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.5 | -29.7 | 176.1 | -77.2 | 178.9 | 179.5 | -175.9 | 0 | 113 | T98 E99 Q104 | T98-K102 WeakPolarHBondContact O-CG 3.11Å; T98-K102 PolarHBondContact O-N 2.88Å; E99-K102 WeakPolarHBondContact O-CB 3.47Å; E99-K102 PolarHBondContact O-N 3.49Å; E99-K102 VanDerWaalsContact O-N 3.1Å; K102-Q104 PolarHBondContact O-N 3.06Å; K102-Q104 VanDerWaalsContact O-N 3.16Å |
| 103 | K | 80.4 | Confident | 85.7 | Confident | 110 Ų | 110 | 60.4 Ų | 60.4 | 48% | 0.478 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -0.8 | 176.3 | -64.3 | -65.1 | -176.4 | 167.9 | 0 | 113.8 | L77 E99 A100 L101 | L77-K103 HydrophobicContact CD1-CG 4.17Å; E99-K103 WeakPolarHBondContact O-CG 3.4Å; E99-K103 PolarHBondContact O-N 2.9Å; E99-K103 VanDerWaalsContact O-N 3.11Å; A100-K103 PolarHBondContact O-N 3Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.15Å |
| 104 | Q | 65.1 | Low | 85.6 | Confident | 167 Ų | 167 | 60.4 Ų | 60.4 | 78% | 0.78 | 29% | 0.286 | S | S | * | . | trans | 48.4 | 67.9 | 172.2 | -66.8 | -173.9 | 1.4 | 0 | 0 | 113.8 | L101 K102 K106 | L101-Q104 PolarHBondContact O-N 3.37Å; K102-Q104 PolarHBondContact O-N 3.06Å; K102-Q104 VanDerWaalsContact O-N 3.16Å; Q104-K106 PolarHBondContact O-N 3.11Å | ||
| 105 | C | 69 | Low | 85.6 | Confident | 18 Ų | 18 | 60.9 Ų | 60.9 | 12% | 0.122 | 29% | 0.286 | C | S | . | . | trans | -64.8 | 131.5 | 169.6 | -70.6 | 0 | 0 | 0 | 0 | 111 | A74 D107 L110 N111 | A74-C105 WeakPolarHBondContact CB-SG 3.39Å; C105-D107 PolarHBondContact O-N 3.48Å; C105-L110 HydrophobicContact CB-CD2 4Å; C105-N111 PolarHBondContact O-ND2 2.85Å | ||
| 106 | K | 73 | Confident | 85.5 | Confident | 199 Ų | 199 | 56.3 Ų | 56.3 | 87% | 0.865 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -62.8 | -20.3 | 172.6 | -65.2 | 179.6 | -179.5 | 175.3 | 0 | 112 | Q104 N108 | Q104-K106 PolarHBondContact O-N 3.11Å; K106-N108 PolarHBondContact O-N 2.83Å |
| 107 | D | 80.2 | Confident | 85.6 | Confident | 95 Ų | 95 | 56.5 Ų | 56.5 | 51% | 0.508 | 27% | 0.27 | S | S | . | . | trans | -78.4 | 102 | -178.4 | -61.1 | -39 | 0 | 0 | 0 | 112.5 | C105 H109 L110 N111 | C105-D107 PolarHBondContact O-N 3.48Å; D107-H109 PolarHBondContact O-N 3.1Å; D107-H109 VanDerWaalsContact O-N 3.13Å; D107-L110 HydrophobicContact CB-CB 3.91Å; D107-L110 PolarHBondContact O-N 2.7Å; D107-N111 PolarHBondContact O-N 3.36Å | ||
| 108 | N | 82.5 | Confident | 85.6 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.4 | -31.4 | 172.8 | -70.7 | -32.3 | 0 | 0 | 0 | 112.9 | K106 S112 | K106-N108 PolarHBondContact O-N 2.83Å; N108-S112 WeakPolarHBondContact O-CB 3.29Å; N108-S112 PolarHBondContact O-N 3.34Å |
| 109 | H | 85.2 | Confident | 85.6 | Confident | 100 Ų | 100 | 56.6 Ų | 56.6 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 175.6 | 179.9 | 48.8 | 0 | 0 | 0 | 112.1 | D107 N111 S112 V113 R142 | D107-H109 PolarHBondContact O-N 3.1Å; D107-H109 VanDerWaalsContact O-N 3.13Å; H109-N111 VanDerWaalsContact C-N 3.34Å; H109-S112 PolarHBondContact O-N 3.02Å; H109-V113 WeakPolarHBondContact O-CG2 3.37Å; H109-V113 PolarHBondContact O-N 3.04Å; H109-R142 PolarHBondContact ND1-NH1 3.41Å |
| 110 | L | 86 | Confident | 85.8 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -43 | 179.6 | -177.8 | 57.2 | 0 | 0 | 0 | 110.7 | A74 L75 K78 C105 D107 S112 V113 L114 | A74-L110 HydrophobicContact CB-CD2 4.01Å; L75-L110 HydrophobicContact CD2-CD1 3.59Å; L75-L110 HydrophobicContact CD2-CD2 4.18Å; L75-L110 HydrophobicContact CG-CD1 4.38Å; L75-L110 HydrophobicContact CG-CD2 4.09Å; K78-L110 HydrophobicContact CD-CD1 4.12Å; C105-L110 HydrophobicContact CB-CD2 4Å; D107-L110 HydrophobicContact CB-CB 3.91Å; D107-L110 PolarHBondContact O-N 2.7Å; L110-S112 PolarHBondContact O-N 2.81Å; L110-V113 PolarHBondContact O-N 3.39Å; L110-L114 HydrophobicContact CD1-CG 4.44Å; L110-L114 HydrophobicContact CG-CD1 4.2Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.23Å |
| 111 | N | 87.2 | Confident | 86 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 175.3 | -68.4 | -25.1 | 0 | 0 | 0 | 111.6 | C105 D107 H109 V113 L114 Y115 F141 | C105-N111 PolarHBondContact O-ND2 2.85Å; D107-N111 PolarHBondContact O-N 3.36Å; H109-N111 VanDerWaalsContact C-N 3.34Å; N111-V113 VanDerWaalsContact C-N 3.32Å; N111-V113 PolarHBondContact O-N 2.94Å; N111-L114 PolarHBondContact O-N 3.44Å; N111-Y115 WeakPolarHBondContact O-CD2 3.29Å; N111-Y115 PolarHBondContact O-N 3.39Å; N111-F141 HydrophobicContact CB-CD1 4.4Å; N111-F141 HydrophobicContact CB-CG 4.38Å |
| 112 | S | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | N108 H109 L110 N116 A138 | N108-S112 WeakPolarHBondContact O-CB 3.29Å; N108-S112 PolarHBondContact O-N 3.34Å; H109-S112 PolarHBondContact O-N 3.02Å; L110-S112 PolarHBondContact O-N 2.81Å; S112-N116 WeakPolarHBondContact O-CB 3.39Å; S112-N116 PolarHBondContact O-N 2.97Å; S112-N116 VanDerWaalsContact O-N 3.1Å; S112-A138 PolarHBondContact OG-O 3.01Å |
| 113 | V | 90.2 | Very high | 86.4 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | K78 H109 L110 N111 N116 N117 Y145 | K78-V113 HydrophobicContact CD-CG1 4.35Å; H109-V113 WeakPolarHBondContact O-CG2 3.37Å; H109-V113 PolarHBondContact O-N 3.04Å; L110-V113 PolarHBondContact O-N 3.39Å; N111-V113 VanDerWaalsContact C-N 3.32Å; N111-V113 PolarHBondContact O-N 2.94Å; V113-N116 PolarHBondContact O-N 2.71Å; V113-N117 PolarHBondContact O-N 2.89Å; V113-N117 PolarHBondContact O-OD1 2.92Å; V113-Y145 HydrophobicContact CG2-CE2 4.33Å |
| 114 | L | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 178.2 | -74.8 | 171.4 | 0 | 0 | 0 | 112 | A74 K78 Y97 A100 L101 L110 N111 N116 N117 R118 | A74-L114 HydrophobicContact CB-CD1 4.42Å; K78-L114 HydrophobicContact CB-CD2 3.84Å; K78-L114 HydrophobicContact CG-CD2 4.05Å; Y97-L114 HydrophobicContact CD1-CD2 4Å; A100-L114 HydrophobicContact CB-CD1 3.76Å; A100-L114 HydrophobicContact CB-CD2 3.67Å; A100-L114 HydrophobicContact CB-CG 4.37Å; L101-L114 HydrophobicContact CD2-CB 3.79Å; L101-L114 HydrophobicContact CD2-CD1 4.01Å; L101-L114 HydrophobicContact CG-CB 4.09Å; L101-L114 HydrophobicContact CG-CD1 4.3Å; L110-L114 HydrophobicContact CD1-CG 4.44Å; L110-L114 HydrophobicContact CG-CD1 4.2Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.23Å; N111-L114 PolarHBondContact O-N 3.44Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.19Å; L114-N117 PolarHBondContact O-N 2.9Å; L114-R118 WeakPolarHBondContact O-CB 3.46Å; L114-R118 PolarHBondContact O-N 3.27Å |
| 115 | Y | 92.8 | Very high | 88.2 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.3 | -41.9 | 175.5 | -81.1 | -67.7 | 0 | 0 | 0 | 111.7 | L101 N111 N117 R118 A119 L137 F141 | L101-Y115 HydrophobicContact CD1-CD1 3.9Å; L101-Y115 HydrophobicContact CD1-CE1 3.63Å; L101-Y115 HydrophobicContact CD1-CE2 4.29Å; L101-Y115 HydrophobicContact CD1-CG 4.35Å; L101-Y115 HydrophobicContact CD2-CD2 3.87Å; L101-Y115 HydrophobicContact CD2-CE1 4.36Å; L101-Y115 HydrophobicContact CD2-CE2 3.48Å; L101-Y115 VanDerWaalsContact CD2-CE2 3.48Å; L101-Y115 HydrophobicContact CD2-CG 4.41Å; N111-Y115 WeakPolarHBondContact O-CD2 3.29Å; N111-Y115 PolarHBondContact O-N 3.39Å; Y115-N117 PolarHBondContact O-N 2.96Å; Y115-R118 PolarHBondContact O-N 3.07Å; Y115-A119 WeakPolarHBondContact O-CB 3.42Å; Y115-A119 PolarHBondContact O-N 2.87Å; Y115-L137 HydrophobicContact CD1-CB 3.93Å; Y115-L137 HydrophobicContact CD1-CD1 4.03Å; Y115-L137 HydrophobicContact CD2-CB 4.39Å; Y115-L137 HydrophobicContact CE1-CB 4.06Å; Y115-L137 HydrophobicContact CE1-CD1 3.58Å; Y115-L137 HydrophobicContact CE1-CG 4.45Å; Y115-L137 HydrophobicContact CG-CB 4.11Å; Y115-F141 AromaticContact CD2-CD2 3.8Å; Y115-F141 HydrophobicContact CD2-CD2 3.8Å; Y115-F141 AromaticContact CD2-CE2 3.63Å; Y115-F141 HydrophobicContact CD2-CE2 3.63Å; Y115-F141 AromaticContact CE2-CD2 3.81Å; Y115-F141 HydrophobicContact CE2-CD2 3.81Å; Y115-F141 AromaticContact CE2-CE2 3.15Å; Y115-F141 HydrophobicContact CE2-CE2 3.15Å; Y115-F141 AromaticContact CE2-CZ 3.85Å; Y115-F141 HydrophobicContact CE2-CZ 3.85Å; Y115-F141 AromaticContact CZ-CE2 3.97Å |
| 116 | N | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -37.3 | 178 | 168.6 | 88.5 | 0 | 0 | 0 | 113.6 | S112 V113 L114 A119 A120 A138 Y145 A148 R151 | S112-N116 WeakPolarHBondContact O-CB 3.39Å; S112-N116 PolarHBondContact O-N 2.97Å; S112-N116 VanDerWaalsContact O-N 3.1Å; V113-N116 PolarHBondContact O-N 2.71Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.19Å; N116-A119 WeakPolarHBondContact O-CB 3.46Å; N116-A119 PolarHBondContact O-N 3.28Å; N116-A120 PolarHBondContact O-N 3.21Å; N116-A120 VanDerWaalsContact O-N 3.11Å; N116-A138 HydrophobicContact CB-CB 4.44Å; N116-Y145 HydrophobicContact CB-CD1 4.42Å; N116-Y145 HydrophobicContact CB-CE1 3.54Å; N116-Y145 PolarHBondContact ND2-OH 3.36Å; N116-A148 HydrophobicContact CB-CB 4.35Å; N116-A148 WeakPolarHBondContact OD1-CA 3.38Å; N116-R151 PolarHBondContact ND2-NH1 3Å; N116-R151 WeakPolarHBondContact OD1-CD 3.32Å; N116-R151 PolarHBondContact OD1-NH1 3.05Å |
| 117 | N | 92.5 | Very high | 89.9 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.8 | -39.7 | 176.1 | -72.7 | 6.1 | 0 | 0 | 0 | 111 | N82 Y97 V113 L114 Y115 A119 A120 A121 | N82-N117 PolarHBondContact OD1-ND2 3.44Å; N82-N117 VanDerWaalsContact OD1-ND2 3.16Å; Y97-N117 HydrophobicContact CD1-CB 4.32Å; Y97-N117 HydrophobicContact CD2-CB 4.37Å; Y97-N117 HydrophobicContact CE1-CB 3.81Å; Y97-N117 HydrophobicContact CE2-CB 3.88Å; V113-N117 PolarHBondContact O-N 2.89Å; V113-N117 PolarHBondContact O-OD1 2.92Å; L114-N117 PolarHBondContact O-N 2.9Å; Y115-N117 PolarHBondContact O-N 2.96Å; N117-A119 VanDerWaalsContact C-N 3.31Å; N117-A119 PolarHBondContact O-N 3.33Å; N117-A120 WeakPolarHBondContact O-CB 3.42Å; N117-A120 PolarHBondContact O-N 3.45Å; N117-A121 PolarHBondContact O-N 2.85Å |
| 118 | R | 94.2 | Very high | 90.2 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 171.4 | -164.6 | 175.2 | 77 | 178.5 | -1 | 111.7 | I94 Y97 L114 Y115 A120 A121 N122 D134 | I94-R118 HydrophobicContact CG1-CG 4.44Å; I94-R118 HydrophobicContact CG2-CG 4.29Å; Y97-R118 HydrophobicContact CD2-CB 4.22Å; Y97-R118 HydrophobicContact CG-CB 4.48Å; L114-R118 WeakPolarHBondContact O-CB 3.46Å; L114-R118 PolarHBondContact O-N 3.27Å; Y115-R118 PolarHBondContact O-N 3.07Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 3.5Å; R118-A121 PolarHBondContact O-N 3.01Å; R118-N122 WeakPolarHBondContact O-CB 3.37Å; R118-N122 PolarHBondContact O-N 3Å; R118-N122 PolarHBondContact O-ND2 3.2Å; R118-D134 WeakPolarHBondContact CG-OD2 3.03Å; R118-D134 IonicContact CZ-OD1 2.69Å; R118-D134 VanDerWaalsContact CZ-OD1 3.29Å; R118-D134 IonicContact CZ-OD2 2.71Å; R118-D134 VanDerWaalsContact NE-CG 3.34Å; R118-D134 IonicContact NE-OD1 3.16Å; R118-D134 PolarHBondContact NE-OD1 3.06Å; R118-D134 VanDerWaalsContact NE-OD1 3.16Å; R118-D134 IonicContact NE-OD2 3.86Å; R118-D134 PolarHBondContact NE-OD2 3.05Å; R118-D134 IonicContact NH2-OD1 2.64Å; R118-D134 PolarHBondContact NH2-OD1 3.13Å; R118-D134 IonicContact NH2-OD2 3.29Å |
| 119 | A | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y115 N116 N117 N122 F123 A131 D134 F155 | Y115-A119 WeakPolarHBondContact O-CB 3.42Å; Y115-A119 PolarHBondContact O-N 2.87Å; N116-A119 WeakPolarHBondContact O-CB 3.46Å; N116-A119 PolarHBondContact O-N 3.28Å; N117-A119 VanDerWaalsContact C-N 3.31Å; N117-A119 PolarHBondContact O-N 3.33Å; A119-N122 PolarHBondContact O-N 3.46Å; A119-F123 WeakPolarHBondContact O-CB 3.44Å; A119-F123 PolarHBondContact O-N 3.41Å; A119-A131 HydrophobicContact CB-CB 4.46Å; A119-A131 WeakPolarHBondContact CB-O 3.44Å; A119-A131 WeakPolarHBondContact O-CB 3.49Å; A119-D134 HydrophobicContact CB-CB 3.65Å; A119-F155 HydrophobicContact CB-CE2 4.24Å |
| 120 | A | 92.2 | Very high | 90.7 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F85 N116 N117 R118 F123 R124 | F85-A120 HydrophobicContact CE2-CB 4.1Å; F85-A120 HydrophobicContact CZ-CB 4.28Å; N116-A120 PolarHBondContact O-N 3.21Å; N116-A120 VanDerWaalsContact O-N 3.11Å; N117-A120 WeakPolarHBondContact O-CB 3.42Å; N117-A120 PolarHBondContact O-N 3.45Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 3.5Å; A120-F123 PolarHBondContact O-N 3.11Å; A120-R124 WeakPolarHBondContact O-CG 3.46Å; A120-R124 PolarHBondContact O-N 3.1Å |
| 121 | A | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F85 I94 Y97 N117 R118 F123 R124 L125 | F85-A121 HydrophobicContact CD2-CB 4.14Å; F85-A121 HydrophobicContact CE2-CB 4.34Å; I94-A121 HydrophobicContact CD1-CB 4.14Å; I94-A121 HydrophobicContact CG1-CB 3.61Å; Y97-A121 HydrophobicContact CE2-CB 4.41Å; N117-A121 PolarHBondContact O-N 2.85Å; R118-A121 PolarHBondContact O-N 3.01Å; A121-F123 VanDerWaalsContact C-N 3.34Å; A121-F123 PolarHBondContact O-N 3.22Å; A121-R124 PolarHBondContact O-N 3.41Å; A121-L125 PolarHBondContact O-N 3.14Å; A121-L125 VanDerWaalsContact O-N 3.16Å |
| 122 | N | 93.7 | Very high | 91.1 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 174.7 | -87.8 | -48.9 | 0 | 0 | 0 | 112.1 | I94 R118 A119 R124 L125 G126 N127 A131 D134 | I94-N122 WeakPolarHBondContact CD1-OD1 3.42Å; R118-N122 WeakPolarHBondContact O-CB 3.37Å; R118-N122 PolarHBondContact O-N 3Å; R118-N122 PolarHBondContact O-ND2 3.2Å; A119-N122 PolarHBondContact O-N 3.46Å; N122-R124 VanDerWaalsContact C-N 3.3Å; N122-R124 PolarHBondContact O-N 3.02Å; N122-L125 PolarHBondContact O-N 2.84Å; N122-G126 PolarHBondContact O-N 3.27Å; N122-N127 HydrophobicContact CB-CB 4.31Å; N122-N127 PolarHBondContact O-N 2.9Å; N122-A131 HydrophobicContact CB-CB 3.93Å; N122-D134 PolarHBondContact ND2-OD2 3.38Å |
| 123 | F | 91.3 | Very high | 91.1 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 28% | 0.281 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -40.5 | 176.1 | -179.2 | -103.4 | 0 | 0 | 0 | 111.8 | A119 A120 A121 L125 G126 I128 A131 F155 | A119-F123 WeakPolarHBondContact O-CB 3.44Å; A119-F123 PolarHBondContact O-N 3.41Å; A120-F123 PolarHBondContact O-N 3.11Å; A121-F123 VanDerWaalsContact C-N 3.34Å; A121-F123 PolarHBondContact O-N 3.22Å; F123-L125 VanDerWaalsContact C-N 3.3Å; F123-L125 PolarHBondContact O-N 3.49Å; F123-G126 PolarHBondContact O-N 3.48Å; F123-I128 HydrophobicContact CD2-CG1 4.28Å; F123-I128 HydrophobicContact CE2-CG1 4.46Å; F123-A131 HydrophobicContact CB-CB 4.23Å; F123-F155 HydrophobicContact CB-CD1 4.36Å; F123-F155 HydrophobicContact CB-CE1 3.75Å; F123-F155 HydrophobicContact CB-CE2 4.29Å; F123-F155 HydrophobicContact CB-CZ 3.7Å; F123-F155 HydrophobicContact CD1-CD1 4.29Å; F123-F155 AromaticContact CD1-CE1 3.67Å; F123-F155 HydrophobicContact CD1-CE1 3.67Å; F123-F155 HydrophobicContact CD1-CZ 4.35Å; F123-F155 AromaticContact CD2-CD1 3.22Å; F123-F155 HydrophobicContact CD2-CD1 3.22Å; F123-F155 AromaticContact CD2-CE1 3.37Å; F123-F155 HydrophobicContact CD2-CE1 3.37Å; F123-F155 AromaticContact CD2-CG 3.9Å; F123-F155 HydrophobicContact CD2-CG 3.9Å; F123-F155 HydrophobicContact CD2-CZ 4.13Å; F123-F155 HydrophobicContact CE1-CD1 4.43Å; F123-F155 HydrophobicContact CE1-CE1 4.07Å; F123-F155 AromaticContact CE2-CD1 3.41Å; F123-F155 HydrophobicContact CE2-CD1 3.41Å; F123-F155 VanDerWaalsContact CE2-CD1 3.41Å; F123-F155 AromaticContact CE2-CE1 3.81Å; F123-F155 HydrophobicContact CE2-CE1 3.81Å; F123-F155 HydrophobicContact CE2-CG 4.28Å; F123-F155 AromaticContact CG-CD1 3.71Å; F123-F155 HydrophobicContact CG-CD1 3.71Å; F123-F155 AromaticContact CG-CE1 3.28Å; F123-F155 HydrophobicContact CG-CE1 3.28Å; F123-F155 AromaticContact CG-CZ 3.81Å; F123-F155 HydrophobicContact CG-CZ 3.81Å; F123-F155 HydrophobicContact CZ-CD1 4.03Å; F123-F155 HydrophobicContact CZ-CE1 4.14Å |
| 124 | R | 90.9 | Very high | 91.2 | Very high | 154 Ų | 154 | 46.9 Ų | 46.9 | 58% | 0.581 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -67.5 | -26.7 | 177 | -67.8 | -69 | -171 | -168.7 | 1.9 | 113.8 | F85 Y90 A120 A121 N122 G126 | F85-R124 HydrophobicContact CE2-CG 4.28Å; F85-R124 HydrophobicContact CZ-CG 4.42Å; Y90-R124 HydrophobicContact CD1-CB 3.74Å; Y90-R124 HydrophobicContact CD1-CG 4.09Å; Y90-R124 HydrophobicContact CD2-CB 3.61Å; Y90-R124 HydrophobicContact CE1-CB 3.67Å; Y90-R124 HydrophobicContact CE1-CG 3.65Å; Y90-R124 HydrophobicContact CE2-CB 3.55Å; Y90-R124 HydrophobicContact CE2-CG 4.23Å; Y90-R124 HydrophobicContact CG-CB 3.71Å; A120-R124 WeakPolarHBondContact O-CG 3.46Å; A120-R124 PolarHBondContact O-N 3.1Å; A121-R124 PolarHBondContact O-N 3.41Å; N122-R124 VanDerWaalsContact C-N 3.3Å; N122-R124 PolarHBondContact O-N 3.02Å; R124-G126 VanDerWaalsContact C-N 3.31Å |
| 125 | L | 91.9 | Very high | 91.1 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.6 | 171.3 | -71 | -179.4 | 0 | 0 | 0 | 113.9 | Y90 I94 A121 N122 F123 | Y90-L125 HydrophobicContact CD2-CD2 4.27Å; I94-L125 HydrophobicContact CD1-CD1 3.39Å; I94-L125 HydrophobicContact CD1-CG 4.39Å; A121-L125 PolarHBondContact O-N 3.14Å; A121-L125 VanDerWaalsContact O-N 3.16Å; N122-L125 PolarHBondContact O-N 2.84Å; F123-L125 VanDerWaalsContact C-N 3.3Å; F123-L125 PolarHBondContact O-N 3.49Å |
| 126 | G | 88.7 | Confident | 90.8 | Very high | 47 Ų | 47 | 48 Ų | 48 | 49% | 0.485 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N122 F123 R124 I128 | N122-G126 PolarHBondContact O-N 3.27Å; F123-G126 PolarHBondContact O-N 3.48Å; R124-G126 VanDerWaalsContact C-N 3.31Å; G126-I128 VanDerWaalsContact C-N 3.29Å; G126-I128 WeakPolarHBondContact O-CD1 3.47Å; G126-I128 PolarHBondContact O-N 3.33Å |
| 127 | N | 89 | Confident | 90.6 | Very high | 79 Ų | 79 | 50.1 Ų | 50.1 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | trans | -84.1 | 66.7 | 178.9 | -67.4 | -26.4 | 0 | 0 | 0 | 111.4 | N122 R129 S130 A131 | N122-N127 HydrophobicContact CB-CB 4.31Å; N122-N127 PolarHBondContact O-N 2.9Å; N127-R129 PolarHBondContact O-N 2.89Å; N127-S130 PolarHBondContact O-N 2.99Å; N127-A131 WeakPolarHBondContact O-CB 3.45Å; N127-A131 PolarHBondContact O-N 3.31Å | ||
| 128 | I | 87 | Confident | 90.5 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | -174.1 | -58.6 | 121.4 | 0 | 0 | 0 | 112.4 | F123 G126 S130 A131 L132 F155 F159 L162 | F123-I128 HydrophobicContact CD2-CG1 4.28Å; F123-I128 HydrophobicContact CE2-CG1 4.46Å; G126-I128 VanDerWaalsContact C-N 3.29Å; G126-I128 WeakPolarHBondContact O-CD1 3.47Å; G126-I128 PolarHBondContact O-N 3.33Å; I128-S130 PolarHBondContact O-N 3.48Å; I128-A131 PolarHBondContact O-N 3.06Å; I128-L132 HydrophobicContact CG2-CD1 4.32Å; I128-L132 HydrophobicContact CG2-CG 4.42Å; I128-L132 WeakPolarHBondContact O-CG 3.35Å; I128-L132 PolarHBondContact O-N 3.16Å; I128-F155 HydrophobicContact CG2-CB 4.37Å; I128-F159 HydrophobicContact CB-CD2 4.4Å; I128-F159 HydrophobicContact CD1-CD2 3.68Å; I128-F159 HydrophobicContact CD1-CE1 4.04Å; I128-F159 HydrophobicContact CD1-CE2 3.07Å; I128-F159 HydrophobicContact CD1-CG 4.4Å; I128-F159 HydrophobicContact CD1-CZ 3.28Å; I128-F159 HydrophobicContact CG1-CD2 3.99Å; I128-F159 HydrophobicContact CG1-CE2 3.68Å; I128-F159 HydrophobicContact CG1-CZ 4.36Å; I128-F159 HydrophobicContact CG2-CD2 3.96Å; I128-F159 HydrophobicContact CG2-CE2 4.5Å; I128-L162 HydrophobicContact CG2-CD1 4.16Å |
| 129 | R | 87.7 | Confident | 90.1 | Very high | 201 Ų | 201 | 47.3 Ų | 47.3 | 76% | 0.758 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.5 | -47.5 | 179.4 | -69.2 | -174.8 | 177.5 | 126.9 | -1.6 | 111.6 | N127 L132 Q133 L162 | N127-R129 PolarHBondContact O-N 2.89Å; R129-L132 PolarHBondContact O-N 3.27Å; R129-Q133 PolarHBondContact O-N 3.46Å; R129-Q133 VanDerWaalsContact O-N 3.14Å; R129-L162 HydrophobicContact CG-CD1 4.21Å |
| 130 | S | 90.4 | Very high | 89.7 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 36% | 0.357 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 176.4 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | N127 I128 L132 Q133 D134 | N127-S130 PolarHBondContact O-N 2.99Å; I128-S130 PolarHBondContact O-N 3.48Å; S130-L132 VanDerWaalsContact C-N 3.35Å; S130-L132 PolarHBondContact O-N 2.94Å; S130-Q133 PolarHBondContact O-N 3.23Å; S130-D134 VanDerWaalsContact O-CG 3.29Å; S130-D134 PolarHBondContact O-N 3.44Å |
| 131 | A | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A119 N122 F123 N127 I128 D134 C135 F155 | A119-A131 HydrophobicContact CB-CB 4.46Å; A119-A131 WeakPolarHBondContact CB-O 3.44Å; A119-A131 WeakPolarHBondContact O-CB 3.49Å; N122-A131 HydrophobicContact CB-CB 3.93Å; F123-A131 HydrophobicContact CB-CB 4.23Å; N127-A131 WeakPolarHBondContact O-CB 3.45Å; N127-A131 PolarHBondContact O-N 3.31Å; I128-A131 PolarHBondContact O-N 3.06Å; A131-D134 WeakPolarHBondContact O-CB 3.36Å; A131-D134 PolarHBondContact O-N 3.41Å; A131-C135 PolarHBondContact O-N 2.64Å; A131-C135 PolarHBondContact O-SG 3.3Å; A131-F155 HydrophobicContact CB-CD2 4.02Å; A131-F155 HydrophobicContact CB-CE2 4.05Å |
| 132 | L | 89.1 | Confident | 88.7 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 175.7 | -75.8 | 175.6 | 0 | 0 | 0 | 112.4 | I128 R129 S130 D134 C135 L136 G152 F155 L162 F164 | I128-L132 HydrophobicContact CG2-CD1 4.32Å; I128-L132 HydrophobicContact CG2-CG 4.42Å; I128-L132 WeakPolarHBondContact O-CG 3.35Å; I128-L132 PolarHBondContact O-N 3.16Å; R129-L132 PolarHBondContact O-N 3.27Å; S130-L132 VanDerWaalsContact C-N 3.35Å; S130-L132 PolarHBondContact O-N 2.94Å; L132-D134 VanDerWaalsContact C-N 3.25Å; L132-D134 PolarHBondContact O-N 2.96Å; L132-C135 PolarHBondContact O-N 3.16Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 3.44Å; L132-G152 WeakPolarHBondContact CD2-O 3.44Å; L132-F155 HydrophobicContact CD2-CB 3.63Å; L132-F155 HydrophobicContact CG-CB 4.13Å; L132-L162 HydrophobicContact CD1-CB 3.41Å; L132-L162 VanDerWaalsContact CD1-CB 3.41Å; L132-L162 HydrophobicContact CD1-CD1 3.6Å; L132-L162 HydrophobicContact CD1-CD2 4.07Å; L132-L162 HydrophobicContact CD1-CG 3.85Å; L132-F164 HydrophobicContact CD2-CD2 3.94Å |
| 133 | Q | 90.1 | Very high | 88 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.8 | -40.8 | 175.6 | -172.4 | 174.9 | 0.9 | 0 | 0 | 111 | R129 S130 L136 L137 | R129-Q133 PolarHBondContact O-N 3.46Å; R129-Q133 VanDerWaalsContact O-N 3.14Å; S130-Q133 PolarHBondContact O-N 3.23Å; Q133-L136 PolarHBondContact O-N 2.95Å; Q133-L137 HydrophobicContact CG-CD1 4.5Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.4Å |
| 134 | D | 91.6 | Very high | 87.5 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 174.9 | -72.8 | -15.7 | 0 | 0 | 0 | 112.3 | R118 A119 N122 S130 A131 L132 L136 L137 A138 | R118-D134 WeakPolarHBondContact CG-OD2 3.03Å; R118-D134 IonicContact CZ-OD1 2.69Å; R118-D134 VanDerWaalsContact CZ-OD1 3.29Å; R118-D134 IonicContact CZ-OD2 2.71Å; R118-D134 VanDerWaalsContact NE-CG 3.34Å; R118-D134 IonicContact NE-OD1 3.16Å; R118-D134 PolarHBondContact NE-OD1 3.06Å; R118-D134 VanDerWaalsContact NE-OD1 3.16Å; R118-D134 IonicContact NE-OD2 3.86Å; R118-D134 PolarHBondContact NE-OD2 3.05Å; R118-D134 IonicContact NH2-OD1 2.64Å; R118-D134 PolarHBondContact NH2-OD1 3.13Å; R118-D134 IonicContact NH2-OD2 3.29Å; A119-D134 HydrophobicContact CB-CB 3.65Å; N122-D134 PolarHBondContact ND2-OD2 3.38Å; S130-D134 VanDerWaalsContact O-CG 3.29Å; S130-D134 PolarHBondContact O-N 3.44Å; A131-D134 WeakPolarHBondContact O-CB 3.36Å; A131-D134 PolarHBondContact O-N 3.41Å; L132-D134 VanDerWaalsContact C-N 3.25Å; L132-D134 PolarHBondContact O-N 2.96Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-L136 PolarHBondContact O-N 3.45Å; D134-L137 PolarHBondContact O-N 3.34Å; D134-A138 WeakPolarHBondContact O-CB 3.41Å; D134-A138 PolarHBondContact O-N 3.22Å |
| 135 | C | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 174 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | A131 L132 A138 T139 F164 | A131-C135 PolarHBondContact O-N 2.64Å; A131-C135 PolarHBondContact O-SG 3.3Å; L132-C135 PolarHBondContact O-N 3.16Å; C135-A138 PolarHBondContact O-N 3.3Å; C135-T139 PolarHBondContact O-N 3.18Å; C135-T139 VanDerWaalsContact O-N 3.1Å; C135-T139 PolarHBondContact O-OG1 3.29Å; C135-F164 HydrophobicContact CB-CE2 3.71Å; C135-F164 HydrophobicContact CB-CZ 3.87Å |
| 136 | L | 87.7 | Confident | 86.6 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 34% | 0.335 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 174.9 | -71.1 | 173.2 | 0 | 0 | 0 | 110.9 | L132 Q133 D134 T139 K140 F164 I166 | L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 3.44Å; Q133-L136 PolarHBondContact O-N 2.95Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-L136 PolarHBondContact O-N 3.45Å; L136-T139 PolarHBondContact O-N 3.48Å; L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 3.47Å; L136-F164 HydrophobicContact CD2-CD2 3.75Å; L136-F164 HydrophobicContact CD2-CE2 3.54Å; L136-F164 HydrophobicContact CD2-CZ 4.37Å; L136-F164 HydrophobicContact CG-CD2 4.07Å; L136-F164 HydrophobicContact CG-CE2 3.76Å; L136-I166 HydrophobicContact CD2-CD1 4.47Å; L136-I166 HydrophobicContact CD2-CG1 3.99Å |
| 137 | L | 88.9 | Confident | 86.3 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 175.9 | -70.3 | 173 | 0 | 0 | 0 | 111.1 | Y115 Q133 D134 T139 K140 F141 | Y115-L137 HydrophobicContact CD1-CB 3.93Å; Y115-L137 HydrophobicContact CD1-CD1 4.03Å; Y115-L137 HydrophobicContact CD2-CB 4.39Å; Y115-L137 HydrophobicContact CE1-CB 4.06Å; Y115-L137 HydrophobicContact CE1-CD1 3.58Å; Y115-L137 HydrophobicContact CE1-CG 4.45Å; Y115-L137 HydrophobicContact CG-CB 4.11Å; Q133-L137 HydrophobicContact CG-CD1 4.5Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.4Å; D134-L137 PolarHBondContact O-N 3.34Å; L137-T139 PolarHBondContact O-N 2.86Å; L137-K140 HydrophobicContact CD2-CD 4.45Å; L137-K140 WeakPolarHBondContact O-CB 3.45Å; L137-K140 PolarHBondContact O-N 2.91Å; L137-F141 WeakPolarHBondContact O-CD2 3.37Å; L137-F141 PolarHBondContact O-N 3.3Å |
| 138 | A | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.7 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S112 N116 D134 C135 R142 A148 | S112-A138 PolarHBondContact OG-O 3.01Å; N116-A138 HydrophobicContact CB-CB 4.44Å; D134-A138 WeakPolarHBondContact O-CB 3.41Å; D134-A138 PolarHBondContact O-N 3.22Å; C135-A138 PolarHBondContact O-N 3.3Å; A138-R142 PolarHBondContact O-N 2.81Å; A138-A148 HydrophobicContact CB-CB 3.75Å |
| 139 | T | 85.7 | Confident | 85.6 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.6 | -37.5 | 177.5 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | C135 L136 L137 F141 R142 P143 V149 I166 | C135-T139 PolarHBondContact O-N 3.18Å; C135-T139 VanDerWaalsContact O-N 3.1Å; C135-T139 PolarHBondContact O-OG1 3.29Å; L136-T139 PolarHBondContact O-N 3.48Å; L137-T139 PolarHBondContact O-N 2.86Å; T139-F141 VanDerWaalsContact C-N 3.29Å; T139-F141 PolarHBondContact O-N 3.2Å; T139-R142 CarbonylContact O-C 3.07Å; T139-R142 PolarHBondContact O-N 2.97Å; T139-P143 WeakPolarHBondContact O-CA 3.15Å; T139-P143 VanDerWaalsContact O-N 3.08Å; T139-V149 HydrophobicContact CG2-CG2 4.44Å; T139-I166 HydrophobicContact CG2-CD1 3.6Å; T139-I166 HydrophobicContact CG2-CG1 4.26Å; T139-I166 HydrophobicContact CG2-CG2 3.76Å; T139-I166 VanDerWaalsContact OG1-CD1 3.24Å; T139-I166 WeakPolarHBondContact OG1-CD1 3.4Å |
| 140 | K | 85.7 | Confident | 85.4 | Confident | 167 Ų | 167 | 55.8 Ų | 55.8 | 73% | 0.726 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -59.2 | -39.1 | 175.5 | -73.6 | -178.6 | -179.3 | -174.6 | 0 | 112.4 | L136 L137 | L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 3.47Å; L137-K140 HydrophobicContact CD2-CD 4.45Å; L137-K140 WeakPolarHBondContact O-CB 3.45Å; L137-K140 PolarHBondContact O-N 2.91Å |
| 141 | F | 83.3 | Confident | 85.1 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72 | -41 | 175.7 | -69.2 | -74.5 | 0 | 0 | 0 | 112.5 | N111 Y115 L137 T139 | N111-F141 HydrophobicContact CB-CD1 4.4Å; N111-F141 HydrophobicContact CB-CG 4.38Å; Y115-F141 AromaticContact CD2-CD2 3.8Å; Y115-F141 HydrophobicContact CD2-CD2 3.8Å; Y115-F141 AromaticContact CD2-CE2 3.63Å; Y115-F141 HydrophobicContact CD2-CE2 3.63Å; Y115-F141 AromaticContact CE2-CD2 3.81Å; Y115-F141 HydrophobicContact CE2-CD2 3.81Å; Y115-F141 AromaticContact CE2-CE2 3.15Å; Y115-F141 HydrophobicContact CE2-CE2 3.15Å; Y115-F141 AromaticContact CE2-CZ 3.85Å; Y115-F141 HydrophobicContact CE2-CZ 3.85Å; Y115-F141 AromaticContact CZ-CE2 3.97Å; L137-F141 WeakPolarHBondContact O-CD2 3.37Å; L137-F141 PolarHBondContact O-N 3.3Å; T139-F141 VanDerWaalsContact C-N 3.29Å; T139-F141 PolarHBondContact O-N 3.2Å |
| 142 | R | 82.6 | Confident | 84.7 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | trans | -143.7 | 101.7 | 179.9 | -174.2 | 174 | 170.5 | 156.7 | -0.1 | 110.6 | H109 A138 T139 T144 Y145 | H109-R142 PolarHBondContact ND1-NH1 3.41Å; A138-R142 PolarHBondContact O-N 2.81Å; T139-R142 CarbonylContact O-C 3.07Å; T139-R142 PolarHBondContact O-N 2.97Å; R142-T144 VanDerWaalsContact CG-OG1 3.27Å; R142-T144 WeakPolarHBondContact CG-OG1 3.5Å; R142-T144 PolarHBondContact NE-OG1 3.4Å; R142-T144 PolarHBondContact O-N 3.32Å; R142-Y145 WeakPolarHBondContact O-CB 3.42Å; R142-Y145 PolarHBondContact O-N 3.37Å | ||
| 143 | P | 77.8 | Confident | 84.3 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.1 | 179 | 25.2 | -33.4 | 0 | 0 | 0 | 112.6 | T139 Y145 P169 | T139-P143 WeakPolarHBondContact O-CA 3.15Å; T139-P143 VanDerWaalsContact O-N 3.08Å; P143-Y145 PolarHBondContact O-N 3.43Å; P143-P169 HydrophobicContact CB-CG 4.17Å; P143-P169 HydrophobicContact CG-CG 4.42Å |
| 144 | T | 80.5 | Confident | 83.9 | Confident | 92 Ų | 92 | 60 Ų | 60 | 56% | 0.564 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 2.6 | 178 | 59.6 | 0 | 0 | 0 | 0 | 114 | R142 W146 | R142-T144 VanDerWaalsContact CG-OG1 3.27Å; R142-T144 WeakPolarHBondContact CG-OG1 3.5Å; R142-T144 PolarHBondContact NE-OG1 3.4Å; R142-T144 PolarHBondContact O-N 3.32Å; T144-W146 PolarHBondContact O-N 2.91Å |
| 145 | Y | 81.1 | Confident | 83.5 | Confident | 25 Ų | 25 | 60 Ų | 60 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | trans | -85.7 | 78.6 | -178.7 | -168.8 | -119.6 | 0 | 0 | 0 | 111.6 | V113 N116 R142 P143 K147 A148 V149 | V113-Y145 HydrophobicContact CG2-CE2 4.33Å; N116-Y145 HydrophobicContact CB-CD1 4.42Å; N116-Y145 HydrophobicContact CB-CE1 3.54Å; N116-Y145 PolarHBondContact ND2-OH 3.36Å; R142-Y145 WeakPolarHBondContact O-CB 3.42Å; R142-Y145 PolarHBondContact O-N 3.37Å; P143-Y145 PolarHBondContact O-N 3.43Å; Y145-K147 HydrophobicContact CD1-CB 4.42Å; Y145-K147 HydrophobicContact CE1-CB 3.82Å; Y145-K147 HydrophobicContact CE2-CB 3.97Å; Y145-K147 HydrophobicContact CE2-CD 4.16Å; Y145-K147 HydrophobicContact CE2-CG 4.41Å; Y145-K147 PolarHBondContact O-N 3.14Å; Y145-A148 HydrophobicContact CD1-CB 3.45Å; Y145-A148 VanDerWaalsContact CD1-CB 3.45Å; Y145-A148 HydrophobicContact CE1-CB 3.89Å; Y145-A148 PolarHBondContact O-N 3.05Å; Y145-V149 PolarHBondContact O-N 3.41Å | ||
| 146 | W | 82.4 | Confident | 82.9 | Confident | 163 Ų | 163 | 60.4 Ų | 60.4 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -52.6 | -30.4 | -177.4 | 63.3 | -95.4 | 0 | 0 | 0 | 114.2 | T144 A148 V149 N150 | T144-W146 PolarHBondContact O-N 2.91Å; W146-A148 PolarHBondContact O-N 3.44Å; W146-V149 PolarHBondContact O-N 3.31Å; W146-N150 WeakPolarHBondContact O-CB 3.49Å; W146-N150 PolarHBondContact O-N 3.34Å |
| 147 | K | 82.9 | Confident | 82.2 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 41% | 0.409 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 177.3 | -76.3 | -176.6 | -179.9 | 178.3 | 0 | 112.7 | Y145 R151 | Y145-K147 HydrophobicContact CD1-CB 4.42Å; Y145-K147 HydrophobicContact CE1-CB 3.82Å; Y145-K147 HydrophobicContact CE2-CB 3.97Å; Y145-K147 HydrophobicContact CE2-CD 4.16Å; Y145-K147 HydrophobicContact CE2-CG 4.41Å; Y145-K147 PolarHBondContact O-N 3.14Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 2.85Å |
| 148 | A | 81.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.7 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N116 A138 Y145 W146 R151 G152 | N116-A148 HydrophobicContact CB-CB 4.35Å; N116-A148 WeakPolarHBondContact OD1-CA 3.38Å; A138-A148 HydrophobicContact CB-CB 3.75Å; Y145-A148 HydrophobicContact CD1-CB 3.45Å; Y145-A148 VanDerWaalsContact CD1-CB 3.45Å; Y145-A148 HydrophobicContact CE1-CB 3.89Å; Y145-A148 PolarHBondContact O-N 3.05Å; W146-A148 PolarHBondContact O-N 3.44Å; A148-R151 PolarHBondContact O-N 3.2Å; A148-G152 PolarHBondContact O-N 2.94Å |
| 149 | V | 80.3 | Confident | 80.1 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | T139 Y145 W146 R151 G152 M153 I166 L168 | T139-V149 HydrophobicContact CG2-CG2 4.44Å; Y145-V149 PolarHBondContact O-N 3.41Å; W146-V149 PolarHBondContact O-N 3.31Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.38Å; V149-G152 PolarHBondContact O-N 3.25Å; V149-M153 HydrophobicContact CG1-CE 4.24Å; V149-M153 WeakPolarHBondContact O-CG 3.44Å; V149-M153 PolarHBondContact O-N 2.78Å; V149-I166 HydrophobicContact CG2-CD1 4.27Å; V149-L168 HydrophobicContact CG1-CD2 4.35Å; V149-L168 HydrophobicContact CG2-CD2 4.18Å |
| 150 | N | 83.8 | Confident | 78.8 | Confident | 82 Ų | 82 | 75.3 Ų | 75.3 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 178.4 | -74.9 | 0.6 | 0 | 0 | 0 | 112.3 | W146 M153 L154 | W146-N150 WeakPolarHBondContact O-CB 3.49Å; W146-N150 PolarHBondContact O-N 3.34Å; N150-M153 WeakPolarHBondContact OD1-CE 3.46Å; N150-L154 WeakPolarHBondContact O-CB 3.27Å; N150-L154 PolarHBondContact O-N 2.85Å |
| 151 | R | 83.8 | Confident | 77.4 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 175.8 | -78 | -173.4 | -179.5 | 99.7 | -1.9 | 112.1 | N116 K147 A148 V149 M153 L154 F155 | N116-R151 PolarHBondContact ND2-NH1 3Å; N116-R151 WeakPolarHBondContact OD1-CD 3.32Å; N116-R151 PolarHBondContact OD1-NH1 3.05Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 2.85Å; A148-R151 PolarHBondContact O-N 3.2Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.38Å; R151-M153 VanDerWaalsContact C-N 3.31Å; R151-M153 PolarHBondContact O-N 2.96Å; R151-L154 WeakPolarHBondContact O-CB 3.36Å; R151-L154 PolarHBondContact O-N 3.39Å; R151-L154 VanDerWaalsContact O-N 3.14Å; R151-F155 HydrophobicContact CB-CD2 4.43Å; R151-F155 HydrophobicContact CB-CE1 4.46Å; R151-F155 HydrophobicContact CB-CE2 3.83Å; R151-F155 HydrophobicContact CB-CZ 3.85Å; R151-F155 HydrophobicContact CG-CZ 4.19Å; R151-F155 WeakPolarHBondContact O-CB 3.4Å; R151-F155 WeakPolarHBondContact O-CD1 3.33Å; R151-F155 VanDerWaalsContact O-CD2 3.27Å; R151-F155 WeakPolarHBondContact O-CD2 3.43Å; R151-F155 WeakPolarHBondContact O-CG 3.05Å; R151-F155 PolarHBondContact O-N 3.03Å |
| 152 | G | 81.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L132 A148 V149 F155 G156 | L132-G152 WeakPolarHBondContact CD2-O 3.44Å; A148-G152 PolarHBondContact O-N 2.94Å; V149-G152 PolarHBondContact O-N 3.25Å; G152-F155 PolarHBondContact O-N 2.86Å; G152-G156 PolarHBondContact O-N 3.24Å |
| 153 | M | 80.4 | Confident | 75.1 | Confident | 90 Ų | 90 | 78.3 Ų | 78.3 | 44% | 0.443 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 170.8 | -68.5 | -167.7 | -63 | 0 | 0 | 111.9 | V149 N150 R151 F155 G156 N157 F164 | V149-M153 HydrophobicContact CG1-CE 4.24Å; V149-M153 WeakPolarHBondContact O-CG 3.44Å; V149-M153 PolarHBondContact O-N 2.78Å; N150-M153 WeakPolarHBondContact OD1-CE 3.46Å; R151-M153 VanDerWaalsContact C-N 3.31Å; R151-M153 PolarHBondContact O-N 2.96Å; M153-F155 PolarHBondContact O-N 3.2Å; M153-G156 PolarHBondContact O-N 3.37Å; M153-N157 WeakPolarHBondContact O-CB 3.24Å; M153-N157 VanDerWaalsContact O-CG 3.28Å; M153-N157 PolarHBondContact O-N 3.19Å; M153-N157 PolarHBondContact O-ND2 3.37Å; M153-F164 HydrophobicContact CG-CD1 4.12Å; M153-F164 HydrophobicContact CG-CE1 4.46Å |
| 154 | L | 83.2 | Confident | 74.4 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 56% | 0.555 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | 177.8 | -178 | 65.8 | 0 | 0 | 0 | 112 | N150 R151 N157 S158 | N150-L154 WeakPolarHBondContact O-CB 3.27Å; N150-L154 PolarHBondContact O-N 2.85Å; R151-L154 WeakPolarHBondContact O-CB 3.36Å; R151-L154 PolarHBondContact O-N 3.39Å; R151-L154 VanDerWaalsContact O-N 3.14Å; L154-N157 PolarHBondContact O-N 3.05Å; L154-S158 PolarHBondContact O-N 3.22Å |
| 155 | F | 83.1 | Confident | 73.6 | Confident | 5 Ų | 5 | 78.5 Ų | 78.5 | 2% | 0.022 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 179.9 | -59.4 | -19.7 | 0 | 0 | 0 | 111.9 | A119 F123 I128 A131 L132 R151 G152 M153 | A119-F155 HydrophobicContact CB-CE2 4.24Å; F123-F155 HydrophobicContact CB-CD1 4.36Å; F123-F155 HydrophobicContact CB-CE1 3.75Å; F123-F155 HydrophobicContact CB-CE2 4.29Å; F123-F155 HydrophobicContact CB-CZ 3.7Å; F123-F155 HydrophobicContact CD1-CD1 4.29Å; F123-F155 AromaticContact CD1-CE1 3.67Å; F123-F155 HydrophobicContact CD1-CE1 3.67Å; F123-F155 HydrophobicContact CD1-CZ 4.35Å; F123-F155 AromaticContact CD2-CD1 3.22Å; F123-F155 HydrophobicContact CD2-CD1 3.22Å; F123-F155 AromaticContact CD2-CE1 3.37Å; F123-F155 HydrophobicContact CD2-CE1 3.37Å; F123-F155 AromaticContact CD2-CG 3.9Å; F123-F155 HydrophobicContact CD2-CG 3.9Å; F123-F155 HydrophobicContact CD2-CZ 4.13Å; F123-F155 HydrophobicContact CE1-CD1 4.43Å; F123-F155 HydrophobicContact CE1-CE1 4.07Å; F123-F155 AromaticContact CE2-CD1 3.41Å; F123-F155 HydrophobicContact CE2-CD1 3.41Å; F123-F155 VanDerWaalsContact CE2-CD1 3.41Å; F123-F155 AromaticContact CE2-CE1 3.81Å; F123-F155 HydrophobicContact CE2-CE1 3.81Å; F123-F155 HydrophobicContact CE2-CG 4.28Å; F123-F155 AromaticContact CG-CD1 3.71Å; F123-F155 HydrophobicContact CG-CD1 3.71Å; F123-F155 AromaticContact CG-CE1 3.28Å; F123-F155 HydrophobicContact CG-CE1 3.28Å; F123-F155 AromaticContact CG-CZ 3.81Å; F123-F155 HydrophobicContact CG-CZ 3.81Å; F123-F155 HydrophobicContact CZ-CD1 4.03Å; F123-F155 HydrophobicContact CZ-CE1 4.14Å; I128-F155 HydrophobicContact CG2-CB 4.37Å; A131-F155 HydrophobicContact CB-CD2 4.02Å; A131-F155 HydrophobicContact CB-CE2 4.05Å; L132-F155 HydrophobicContact CD2-CB 3.63Å; L132-F155 HydrophobicContact CG-CB 4.13Å; R151-F155 HydrophobicContact CB-CD2 4.43Å; R151-F155 HydrophobicContact CB-CE1 4.46Å; R151-F155 HydrophobicContact CB-CE2 3.83Å; R151-F155 HydrophobicContact CB-CZ 3.85Å; R151-F155 HydrophobicContact CG-CZ 4.19Å; R151-F155 WeakPolarHBondContact O-CB 3.4Å; R151-F155 WeakPolarHBondContact O-CD1 3.33Å; R151-F155 VanDerWaalsContact O-CD2 3.27Å; R151-F155 WeakPolarHBondContact O-CD2 3.43Å; R151-F155 WeakPolarHBondContact O-CG 3.05Å; R151-F155 PolarHBondContact O-N 3.03Å; G152-F155 PolarHBondContact O-N 2.86Å; M153-F155 PolarHBondContact O-N 3.2Å |
| 156 | G | 76.1 | Confident | 72.7 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G152 M153 S158 F159 | G152-G156 PolarHBondContact O-N 3.24Å; M153-G156 PolarHBondContact O-N 3.37Å; G156-S158 VanDerWaalsContact C-N 3.26Å; G156-S158 PolarHBondContact O-N 3Å; G156-F159 CarbonylContact O-C 3.23Å; G156-F159 VanDerWaalsContact O-C 3.23Å; G156-F159 PolarHBondContact O-N 3.23Å |
| 157 | N | 73 | Confident | 71.6 | Confident | 142 Ų | 142 | 77.4 Ų | 77.4 | 76% | 0.759 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.8 | -30.5 | 179.3 | -74.3 | -17.7 | 0 | 0 | 0 | 113.1 | M153 L154 F159 | M153-N157 WeakPolarHBondContact O-CB 3.24Å; M153-N157 VanDerWaalsContact O-CG 3.28Å; M153-N157 PolarHBondContact O-N 3.19Å; M153-N157 PolarHBondContact O-ND2 3.37Å; L154-N157 PolarHBondContact O-N 3.05Å; N157-F159 PolarHBondContact O-N 3.28Å |
| 158 | S | 69.5 | Low | 70.3 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 51% | 0.51 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.7 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 113 | L154 G156 | L154-S158 PolarHBondContact O-N 3.22Å; G156-S158 VanDerWaalsContact C-N 3.26Å; G156-S158 PolarHBondContact O-N 3Å |
| 159 | F | 63.2 | Low | 68.8 | Low | 94 Ų | 94 | 81.9 Ų | 81.9 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -138.1 | 99.3 | -177.8 | -70.9 | -88 | 0 | 0 | 0 | 109.8 | I128 G156 N157 C161 L162 | I128-F159 HydrophobicContact CB-CD2 4.4Å; I128-F159 HydrophobicContact CD1-CD2 3.68Å; I128-F159 HydrophobicContact CD1-CE1 4.04Å; I128-F159 HydrophobicContact CD1-CE2 3.07Å; I128-F159 HydrophobicContact CD1-CG 4.4Å; I128-F159 HydrophobicContact CD1-CZ 3.28Å; I128-F159 HydrophobicContact CG1-CD2 3.99Å; I128-F159 HydrophobicContact CG1-CE2 3.68Å; I128-F159 HydrophobicContact CG1-CZ 4.36Å; I128-F159 HydrophobicContact CG2-CD2 3.96Å; I128-F159 HydrophobicContact CG2-CE2 4.5Å; G156-F159 CarbonylContact O-C 3.23Å; G156-F159 VanDerWaalsContact O-C 3.23Å; G156-F159 PolarHBondContact O-N 3.23Å; N157-F159 PolarHBondContact O-N 3.28Å; F159-C161 PolarHBondContact O-N 3.1Å; F159-L162 HydrophobicContact CB-CD1 4.32Å; F159-L162 PolarHBondContact O-N 2.93Å |
| 160 | S | 58.5 | Low | 66.9 | Low | 124 Ų | 124 | 92.6 Ų | 92.6 | 87% | 0.867 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -19.8 | -177.4 | 55.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 161 | C | 56.4 | Low | 66 | Low | 116 Ų | 116 | 93.2 Ų | 93.2 | 78% | 0.784 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.3 | -177.6 | -54.3 | 0 | 0 | 0 | 0 | 115.4 | F159 | F159-C161 PolarHBondContact O-N 3.1Š|
| 162 | L | 57.6 | Low | 65.1 | Low | 55 Ų | 55 | 93.9 Ų | 93.9 | 29% | 0.288 | 51% | 0.511 | S | S | . | . | trans | -117.6 | 97.5 | -174 | -70.4 | 159.6 | 0 | 0 | 0 | 111.3 | I128 R129 L132 F159 F164 | I128-L162 HydrophobicContact CG2-CD1 4.16Å; R129-L162 HydrophobicContact CG-CD1 4.21Å; L132-L162 HydrophobicContact CD1-CB 3.41Å; L132-L162 VanDerWaalsContact CD1-CB 3.41Å; L132-L162 HydrophobicContact CD1-CD1 3.6Å; L132-L162 HydrophobicContact CD1-CD2 4.07Å; L132-L162 HydrophobicContact CD1-CG 3.85Å; F159-L162 HydrophobicContact CB-CD1 4.32Å; F159-L162 PolarHBondContact O-N 2.93Å; L162-F164 PolarHBondContact O-N 3.24Å | ||
| 163 | R | 59.9 | Low | 64.2 | Low | 228 Ų | 228 | 99.1 Ų | 99.1 | 86% | 0.86 | 54% | 0.539 | S | S | * | . | trans | -79.6 | 105.8 | 177 | -165.3 | 168.7 | -174.4 | 158.8 | 0.6 | 110.2 | N165 | R163-N165 PolarHBondContact O-N 3.17Å; R163-N165 VanDerWaalsContact O-N 3.17Å | ||
| 164 | F | 64.3 | Low | 63.2 | Low | 34 Ų | 34 | 99.6 Ų | 99.6 | 15% | 0.149 | 55% | 0.545 | C | S | . | . | trans | -76 | 97.9 | 169.2 | -168.6 | -116.1 | 0 | 0 | 0 | 108.8 | L132 C135 L136 M153 L162 I166 | L132-F164 HydrophobicContact CD2-CD2 3.94Å; C135-F164 HydrophobicContact CB-CE2 3.71Å; C135-F164 HydrophobicContact CB-CZ 3.87Å; L136-F164 HydrophobicContact CD2-CD2 3.75Å; L136-F164 HydrophobicContact CD2-CE2 3.54Å; L136-F164 HydrophobicContact CD2-CZ 4.37Å; L136-F164 HydrophobicContact CG-CD2 4.07Å; L136-F164 HydrophobicContact CG-CE2 3.76Å; M153-F164 HydrophobicContact CG-CD1 4.12Å; M153-F164 HydrophobicContact CG-CE1 4.46Å; L162-F164 PolarHBondContact O-N 3.24Å; F164-I166 HydrophobicContact CD1-CD1 4.01Å; F164-I166 HydrophobicContact CD1-CG1 4.22Å; F164-I166 HydrophobicContact CE1-CD1 3.13Å; F164-I166 HydrophobicContact CE1-CG1 3.82Å; F164-I166 HydrophobicContact CE2-CD1 3.9Å; F164-I166 HydrophobicContact CE2-CG1 4.36Å; F164-I166 HydrophobicContact CZ-CD1 3.05Å; F164-I166 HydrophobicContact CZ-CG1 3.89Å | ||
| 165 | N | 62.1 | Low | 62 | Low | 119 Ų | 119 | 99.3 Ų | 99.3 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | trans | -102.6 | 93.1 | -177.6 | -159.8 | -0.9 | 0 | 0 | 0 | 109.5 | R163 | R163-N165 PolarHBondContact O-N 3.17Å; R163-N165 VanDerWaalsContact O-N 3.17Å | ||
| 166 | I | 63.1 | Low | 60.6 | Low | 38 Ų | 38 | 105.5 Ų | 105.5 | 20% | 0.195 | 58% | 0.579 | C | S | . | * | trans | -108.9 | 121.3 | 170.8 | -67.5 | 179 | 0 | 0 | 0 | 108.2 | L136 T139 V149 F164 L168 | L136-I166 HydrophobicContact CD2-CD1 4.47Å; L136-I166 HydrophobicContact CD2-CG1 3.99Å; T139-I166 HydrophobicContact CG2-CD1 3.6Å; T139-I166 HydrophobicContact CG2-CG1 4.26Å; T139-I166 HydrophobicContact CG2-CG2 3.76Å; T139-I166 VanDerWaalsContact OG1-CD1 3.24Å; T139-I166 WeakPolarHBondContact OG1-CD1 3.4Å; V149-I166 HydrophobicContact CG2-CD1 4.27Å; F164-I166 HydrophobicContact CD1-CD1 4.01Å; F164-I166 HydrophobicContact CD1-CG1 4.22Å; F164-I166 HydrophobicContact CE1-CD1 3.13Å; F164-I166 HydrophobicContact CE1-CG1 3.82Å; F164-I166 HydrophobicContact CE2-CD1 3.9Å; F164-I166 HydrophobicContact CE2-CG1 4.36Å; F164-I166 HydrophobicContact CZ-CD1 3.05Å; F164-I166 HydrophobicContact CZ-CG1 3.89Å; I166-L168 HydrophobicContact CG2-CD2 3.87Å; I166-L168 HydrophobicContact CG2-CG 4.24Å; I166-L168 PolarHBondContact O-N 3.31Å | ||
| 167 | T | 58.5 | Low | 59.5 | Low | 127 Ų | 127 | 112.5 Ų | 112.5 | 78% | 0.779 | 61% | 0.614 | S | S | * | * | trans | -77.3 | 101.1 | 162.2 | 51.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 168 | L | 55.6 | Low | 58.4 | Low | 101 Ų | 101 | 110.2 Ų | 110.2 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | trans | -69.3 | 133.9 | 169.8 | -65.8 | 173.5 | 0 | 0 | 0 | 108.2 | V149 I166 N170 | V149-L168 HydrophobicContact CG1-CD2 4.35Å; V149-L168 HydrophobicContact CG2-CD2 4.18Å; I166-L168 HydrophobicContact CG2-CD2 3.87Å; I166-L168 HydrophobicContact CG2-CG 4.24Å; I166-L168 PolarHBondContact O-N 3.31Å; L168-N170 PolarHBondContact O-N 3.5Å | ||
| 169 | P | 49.7 | Very low | 57.5 | Low | 87 Ų | 87 | 113.3 Ų | 113.3 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | trans | -64 | 135.7 | 167.6 | 27.3 | -31 | 0 | 0 | 0 | 108.8 | P143 | P143-P169 HydrophobicContact CB-CG 4.17Å; P143-P169 HydrophobicContact CG-CG 4.42Å | ||
| 170 | N | 41.2 | Very low | 57 | Low | 237 Ų | 237 | 115.1 Ų | 115.1 | 100% | 1.267 | 63% | 0.629 | S | S | * | * | trans | -57.2 | 0 | 175.7 | -72.3 | -30.9 | 0 | 0 | 0 | 112.3 | L168 | L168-N170 PolarHBondContact O-N 3.5Š|
Retrieved 170 of 170 residues in 164.3 ms
(Link to these results)