| 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 | 37.8 | Very low | 40.7 | Very low | 253 Ų | 253 | 151.5 Ų | 151.5 | 100% | 1.246 | 85% | 0.852 | S | S | * | * | 0 | 96.7 | 0 | -73.2 | 172.3 | 169 | 0 | 0 | 107.8 | |||||
| 2 | G | 35.1 | Very low | 40.7 | Very low | 81 Ų | 81 | 153.4 Ų | 153.4 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | trans | -95.9 | 130.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G4 | G2-G4 PolarHBondContact O-N 3.14Š| ||
| 3 | Q | 36.5 | Very low | 40.8 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -70.1 | 115.4 | 174 | -73.7 | 174.1 | -7.3 | 0 | 0 | 110.6 | ||||
| 4 | G | 33.6 | Very low | 41 | Very low | 77 Ų | 77 | 156.7 Ų | 156.7 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -89.8 | 107.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G2 K6 | G2-G4 PolarHBondContact O-N 3.14Å; G4-K6 PolarHBondContact O-N 3.05Å | ||
| 5 | R | 40.6 | Very low | 41 | Very low | 254 Ų | 254 | 155.9 Ų | 155.9 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -68.1 | 111.1 | 162.2 | -77.3 | 177.2 | 169.7 | 178.8 | -2.9 | 109.5 | ||||
| 6 | K | 43.8 | Very low | 40.9 | Very low | 215 Ų | 215 | 156.8 Ų | 156.8 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -129.9 | 98.6 | 162.6 | -98 | -176.8 | 176.2 | 178.8 | 0 | 108.6 | G4 | G4-K6 PolarHBondContact O-N 3.05Š| ||
| 7 | G | 42.5 | Very low | 40.7 | Very low | 78 Ų | 78 | 155.6 Ų | 155.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -170 | 29.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 8 | S | 47.6 | Very low | 40.8 | Very low | 99 Ų | 99 | 158.8 Ų | 158.8 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -131.3 | -21.1 | -177.2 | -163.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 9 | S | 44.6 | Very low | 40.8 | Very low | 99 Ų | 99 | 157.8 Ų | 157.8 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | H | α-helix | trans | -83.9 | -30.5 | -175.1 | -57.4 | 0 | 0 | 0 | 0 | 114.4 | K11 K12 Q13 | S9-K11 PolarHBondContact O-N 3.3Å; S9-K12 PolarHBondContact O-N 2.94Å; S9-Q13 PolarHBondContact O-N 3.23Å |
| 10 | D | 42.4 | Very low | 40.9 | Very low | 131 Ų | 131 | 157.1 Ų | 157.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | H | α-helix | trans | -73.1 | -26.2 | -177.4 | -68.8 | -44.6 | 0 | 0 | 0 | 113.8 | R14 | D10-R14 PolarHBondContact O-N 3.27Å |
| 11 | K | 42.9 | Very low | 40.9 | Very low | 177 Ų | 177 | 154.4 Ų | 154.4 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | H | α-helix | trans | -71.7 | -36.1 | 176.5 | -98.1 | -176.6 | 176 | 179.8 | 0 | 112.3 | S9 Q15 | S9-K11 PolarHBondContact O-N 3.3Å; K11-Q15 WeakPolarHBondContact O-CB 3.29Å; K11-Q15 PolarHBondContact O-N 2.76Å |
| 12 | K | 40.6 | Very low | 41 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | H | α-helix | trans | -69.1 | -34 | 177.8 | -106.1 | -179.2 | 176.4 | -179.5 | 0 | 112.2 | S9 K16 | S9-K12 PolarHBondContact O-N 2.94Å; K12-K16 PolarHBondContact O-N 3.35Å |
| 13 | Q | 42.8 | Very low | 41.4 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | H | α-helix | trans | -77 | -34.5 | 179.1 | -155.8 | 166.9 | 3.1 | 0 | 0 | 112.5 | S9 Q15 | S9-Q13 PolarHBondContact O-N 3.23Å; Q13-Q15 VanDerWaalsContact C-N 3.33Å; Q13-Q15 PolarHBondContact O-N 2.03Å |
| 14 | R | 42.9 | Very low | 41.7 | Very low | 214 Ų | 214 | 143.9 Ų | 143.9 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -70 | -26 | 173 | -105.4 | -174.7 | 176.7 | -162.3 | 0 | 114.3 | D10 | D10-R14 PolarHBondContact O-N 3.27Å |
| 15 | Q | 41.3 | Very low | 42 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 67% | 0.673 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -85.6 | -32.5 | 179.6 | -157.1 | 161.4 | -2.8 | 0 | 0 | 111.9 | K11 Q13 N17 R18 | K11-Q15 WeakPolarHBondContact O-CB 3.29Å; K11-Q15 PolarHBondContact O-N 2.76Å; Q13-Q15 VanDerWaalsContact C-N 3.33Å; Q13-Q15 PolarHBondContact O-N 2.03Å; Q15-N17 PolarHBondContact O-N 3.33Å; Q15-R18 PolarHBondContact O-N 3.29Å |
| 16 | K | 38.8 | Very low | 42.4 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -69.9 | -26.6 | 177.2 | -161.1 | 177.2 | -179.4 | -174.6 | 0 | 114 | K12 | K12-K16 PolarHBondContact O-N 3.35Å |
| 17 | N | 38.3 | Very low | 42.5 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 3.5 | 177 | -89.7 | 11.8 | 0 | 0 | 0 | 114.6 | Q15 | Q15-N17 PolarHBondContact O-N 3.33Š|
| 18 | R | 41.4 | Very low | 42.7 | Very low | 213 Ų | 213 | 141.3 Ų | 141.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -102.3 | -8.2 | -180 | -101.1 | -177.6 | 179.1 | -178.1 | -1.6 | 114.7 | Q15 | Q15-R18 PolarHBondContact O-N 3.29Š|
| 19 | D | 41.3 | Very low | 42.5 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -101.5 | 2.9 | -179.2 | -73.4 | -29.7 | 0 | 0 | 0 | 114.1 | S21 | D19-S21 VanDerWaalsContact C-N 3.32Å; D19-S21 PolarHBondContact O-N 2.88Å |
| 20 | D | 43.9 | Very low | 42.9 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | -96 | 52.8 | 170.8 | -72 | -33.4 | 0 | 0 | 0 | 111.1 | ||||
| 21 | S | 40.3 | Very low | 43.2 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -78.5 | 126.2 | 160.1 | -75.6 | 0 | 0 | 0 | 0 | 108.1 | D19 A23 | D19-S21 VanDerWaalsContact C-N 3.32Å; D19-S21 PolarHBondContact O-N 2.88Å; S21-A23 PolarHBondContact O-N 3.4Å | ||
| 22 | P | 39.3 | Very low | 43.4 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -60.9 | 134.6 | -175.2 | 24.1 | -30.6 | 0 | 0 | 0 | 109.6 | ||||
| 23 | A | 44.5 | Very low | 44.2 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | trans | -45.9 | 148.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S21 E25 | S21-A23 PolarHBondContact O-N 3.4Å; A23-E25 PolarHBondContact O-N 3.31Å | ||
| 24 | P | 41.3 | Very low | 45.1 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -58.9 | 114.6 | 176.3 | 24.9 | -32.4 | 0 | 0 | 0 | 108.6 | N26 | P24-N26 PolarHBondContact O-N 3.46Š| ||
| 25 | E | 41 | Very low | 46.3 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | trans | -60.3 | 89 | 172.5 | -78.8 | -166.2 | 139.5 | 0 | 0 | 109.5 | A23 G27 | A23-E25 PolarHBondContact O-N 3.31Å; E25-G27 PolarHBondContact O-N 3.09Å | ||
| 26 | N | 49.1 | Very low | 47.9 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | trans | -78.5 | 105.4 | 155.6 | -77.9 | -30.1 | 0 | 0 | 0 | 106.7 | P24 | P24-N26 PolarHBondContact O-N 3.46Š| ||
| 27 | G | 44.8 | Very low | 49.7 | Very low | 60 Ų | 60 | 125.8 Ų | 125.8 | 62% | 0.619 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -160.3 | -48.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E25 | E25-G27 PolarHBondContact O-N 3.09Š|
| 28 | N | 47.3 | Very low | 51.8 | Low | 164 Ų | 164 | 123.8 Ų | 123.8 | 88% | 0.877 | 66% | 0.658 | S | S | * | * | trans | -147.6 | 77.4 | -179 | -77.3 | -45.2 | 0 | 0 | 0 | 110.3 | C30 | N28-C30 PolarHBondContact O-N 3.07Š| ||
| 29 | K | 43.8 | Very low | 53.9 | Low | 175 Ų | 175 | 113.9 Ų | 113.9 | 76% | 0.761 | 62% | 0.621 | S | S | * | * | trans | -57.4 | 104.2 | 168.8 | -108.1 | 171.8 | 178.8 | 167.6 | 0 | 108.3 | R31 | K29-R31 PolarHBondContact O-N 2.97Å; K29-R31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | C | 52 | Low | 55.9 | Low | 64 Ų | 64 | 107.3 Ų | 107.3 | 43% | 0.432 | 59% | 0.586 | S | S | . | * | trans | -27.4 | 105.1 | -178.2 | -164.1 | 0 | 0 | 0 | 0 | 113.4 | N28 V32 C33 | N28-C30 PolarHBondContact O-N 3.07Å; C30-V32 PolarHBondContact O-N 3.38Å; C30-V32 VanDerWaalsContact O-N 3.15Å; C30-C33 HydrophobicContact CB-CB 3.97Å; C30-C33 VanDerWaalsContact CB-SG 3.51Å; C30-C33 PolarHBondContact O-N 2.86Å | ||
| 31 | R | 49.9 | Very low | 58 | Low | 233 Ų | 233 | 103.9 Ų | 103.9 | 88% | 0.879 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -54 | -30.5 | 171.9 | -89.6 | -178.4 | 174.4 | -177.5 | -1.8 | 111.6 | K29 R34 | K29-R31 PolarHBondContact O-N 2.97Å; K29-R31 VanDerWaalsContact O-N 3.12Å; R31-R34 PolarHBondContact O-N 3.39Å |
| 32 | V | 47.3 | Very low | 60.3 | Low | 114 Ų | 114 | 102.3 Ų | 102.3 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -71.4 | -29.4 | 179.3 | -178 | 0 | 0 | 0 | 0 | 112.3 | C30 R34 F35 | C30-V32 PolarHBondContact O-N 3.38Å; C30-V32 VanDerWaalsContact O-N 3.15Å; V32-R34 VanDerWaalsContact C-N 3.31Å; V32-R34 PolarHBondContact O-N 3.39Å; V32-F35 PolarHBondContact O-N 3.43Å |
| 33 | C | 55.7 | Low | 62.7 | Low | 85 Ų | 85 | 96.8 Ų | 96.8 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -72.5 | -22.4 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 113.4 | C30 | C30-C33 HydrophobicContact CB-CB 3.97Å; C30-C33 VanDerWaalsContact CB-SG 3.51Å; C30-C33 PolarHBondContact O-N 2.86Å |
| 34 | R | 62.8 | Low | 64.8 | Low | 157 Ų | 157 | 94.9 Ų | 94.9 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -85.1 | -14.3 | 177.9 | -65.2 | -170.7 | -174 | 175.8 | 2.4 | 113.6 | R31 V32 L37 L38 | R31-R34 PolarHBondContact O-N 3.39Å; V32-R34 VanDerWaalsContact C-N 3.31Å; V32-R34 PolarHBondContact O-N 3.39Å; R34-L37 PolarHBondContact O-N 2.91Å; R34-L38 WeakPolarHBondContact O-CB 3.04Å; R34-L38 PolarHBondContact O-N 2.88Å |
| 35 | F | 68.6 | Low | 67.1 | Low | 106 Ų | 106 | 95.3 Ų | 95.3 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | -174.5 | -170.2 | -112 | 0 | 0 | 0 | 112.7 | V32 L37 L38 V39 I198 | V32-F35 PolarHBondContact O-N 3.43Å; F35-L37 PolarHBondContact O-N 3.31Å; F35-L38 PolarHBondContact O-N 2.97Å; F35-V39 WeakPolarHBondContact O-CG2 3.36Å; F35-V39 PolarHBondContact O-N 3.01Å; F35-V39 VanDerWaalsContact O-N 3.1Å; F35-I198 HydrophobicContact CD1-CD1 3.46Å; F35-I198 VanDerWaalsContact CD1-CD1 3.46Å; F35-I198 HydrophobicContact CD1-CG1 3.95Å; F35-I198 HydrophobicContact CE1-CD1 3.21Å; F35-I198 HydrophobicContact CE1-CG1 3.58Å; F35-I198 HydrophobicContact CZ-CD1 4.2Å |
| 36 | P | 73.9 | Confident | 69.5 | Low | 29 Ų | 29 | 87.4 Ų | 87.4 | 19% | 0.188 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 173.8 | -22.5 | 35.5 | 0 | 0 | 0 | 113.5 | V39 A40 Y88 | P36-V39 PolarHBondContact O-N 2.04Å; P36-A40 PolarHBondContact O-N 2.84Å; P36-Y88 HydrophobicContact CB-CE2 3.75Å |
| 37 | L | 76.6 | Confident | 71.4 | Confident | 58 Ų | 58 | 80.2 Ų | 80.2 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.6 | 175.3 | 64 | 0 | 0 | 0 | 111.1 | R34 F35 V39 A40 L41 Y88 | R34-L37 PolarHBondContact O-N 2.91Å; F35-L37 PolarHBondContact O-N 3.31Å; L37-V39 VanDerWaalsContact C-N 3.33Å; L37-V39 PolarHBondContact O-N 2.97Å; L37-A40 PolarHBondContact O-N 2.85Å; L37-L41 HydrophobicContact CD1-CD1 4.06Å; L37-L41 HydrophobicContact CD1-CG 4.14Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 HydrophobicContact CG-CG 4.44Å; L37-L41 WeakPolarHBondContact O-CB 3.19Å; L37-L41 WeakPolarHBondContact O-CG 3.02Å; L37-L41 PolarHBondContact O-N 2.78Å; L37-Y88 HydrophobicContact CB-CE1 3.82Å; L37-Y88 WeakPolarHBondContact CB-OH 3.32Å; L37-Y88 HydrophobicContact CD1-CD1 4.1Å; L37-Y88 HydrophobicContact CD1-CE1 3.51Å; L37-Y88 HydrophobicContact CG-CE1 4.23Å |
| 38 | L | 83.4 | Confident | 73.5 | Confident | 95 Ų | 95 | 81 Ų | 81 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 179.2 | -177.6 | 131.4 | 0 | 0 | 0 | 111.3 | R34 F35 L41 L42 | R34-L38 WeakPolarHBondContact O-CB 3.04Å; R34-L38 PolarHBondContact O-N 2.88Å; F35-L38 PolarHBondContact O-N 2.97Å; L38-L41 PolarHBondContact O-N 3.4Å; L38-L42 HydrophobicContact CD2-CD1 3.62Å; L38-L42 HydrophobicContact CG-CD1 4.18Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.92Å |
| 39 | V | 85.9 | Confident | 75.6 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 4% | 0.036 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | F35 P36 L37 L41 L42 Q43 V191 I198 | F35-V39 WeakPolarHBondContact O-CG2 3.36Å; F35-V39 PolarHBondContact O-N 3.01Å; F35-V39 VanDerWaalsContact O-N 3.1Å; P36-V39 PolarHBondContact O-N 2.04Å; L37-V39 VanDerWaalsContact C-N 3.33Å; L37-V39 PolarHBondContact O-N 2.97Å; V39-L41 PolarHBondContact O-N 3.04Å; V39-L42 PolarHBondContact O-N 3.47Å; V39-Q43 WeakPolarHBondContact O-CG 3.2Å; V39-Q43 PolarHBondContact O-N 3.07Å; V39-V191 HydrophobicContact CG1-CG1 3.92Å; V39-I198 HydrophobicContact CG2-CD1 3.82Å |
| 40 | A | 83.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P36 L37 Q43 L44 Y88 | P36-A40 PolarHBondContact O-N 2.84Å; L37-A40 PolarHBondContact O-N 2.85Å; A40-Q43 PolarHBondContact O-N 3.4Å; A40-L44 PolarHBondContact O-N 2.9Å; A40-Y88 HydrophobicContact CB-CG 4.37Å |
| 41 | L | 86.1 | Confident | 79.4 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 175.7 | -73.4 | 172.9 | 0 | 0 | 0 | 112 | L37 L38 V39 L44 L45 F85 | L37-L41 HydrophobicContact CD1-CD1 4.06Å; L37-L41 HydrophobicContact CD1-CG 4.14Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 HydrophobicContact CG-CG 4.44Å; L37-L41 WeakPolarHBondContact O-CB 3.19Å; L37-L41 WeakPolarHBondContact O-CG 3.02Å; L37-L41 PolarHBondContact O-N 2.78Å; L38-L41 PolarHBondContact O-N 3.4Å; V39-L41 PolarHBondContact O-N 3.04Å; L41-L44 PolarHBondContact O-N 3.14Å; L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 2.61Å; L41-F85 HydrophobicContact CD2-CD2 4.36Å; L41-F85 HydrophobicContact CD2-CE2 3.69Å; L41-F85 HydrophobicContact CD2-CZ 4.47Å; L41-F85 HydrophobicContact CG-CE2 4.48Å |
| 42 | L | 89.4 | Confident | 81.3 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.9 | -73.9 | 171.4 | 0 | 0 | 0 | 111.5 | L38 V39 L44 L45 L46 V191 | L38-L42 HydrophobicContact CD2-CD1 3.62Å; L38-L42 HydrophobicContact CG-CD1 4.18Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.92Å; V39-L42 PolarHBondContact O-N 3.47Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 2.92Å; L42-L45 PolarHBondContact O-N 3.33Å; L42-L46 VanDerWaalsContact O-CB 3.3Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 WeakPolarHBondContact O-CG 3.42Å; L42-L46 PolarHBondContact O-N 3.24Å; L42-V191 HydrophobicContact CB-CG1 3.9Å; L42-V191 HydrophobicContact CB-CG2 4.21Å; L42-V191 HydrophobicContact CD1-CG2 4.5Å |
| 43 | Q | 89.3 | Confident | 83.2 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57 | -43.6 | 174.7 | -74.5 | -178.3 | -44.3 | 0 | 0 | 111.5 | V39 A40 G47 S81 Y108 C112 Q188 V191 C192 | V39-Q43 WeakPolarHBondContact O-CG 3.2Å; V39-Q43 PolarHBondContact O-N 3.07Å; A40-Q43 PolarHBondContact O-N 3.4Å; Q43-G47 WeakPolarHBondContact O-CA 3.48Å; Q43-G47 PolarHBondContact O-N 3.25Å; Q43-S81 WeakPolarHBondContact O-CB 3.45Å; Q43-S81 PolarHBondContact O-OG 2.98Å; Q43-S81 VanDerWaalsContact O-OG 3.07Å; Q43-Y108 PolarHBondContact OE1-OH 3.18Å; Q43-C112 PolarHBondContact NE2-SG 3.35Å; Q43-Q188 PolarHBondContact O-NE2 3.19Å; Q43-V191 HydrophobicContact CB-CG1 4.49Å; Q43-V191 HydrophobicContact CG-CB 4.46Å; Q43-V191 HydrophobicContact CG-CG1 3.5Å; Q43-V191 VanDerWaalsContact CG-CG1 3.5Å; Q43-C192 PolarHBondContact NE2-SG 3.11Å; Q43-C192 VanDerWaalsContact NE2-SG 3.4Å |
| 44 | L | 88.4 | Confident | 84.5 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.5 | -49.9 | 178.6 | -175.9 | 64.4 | 0 | 0 | 0 | 112.3 | A40 L41 L42 L46 G47 V48 I82 F85 | A40-L44 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 3.14Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 2.92Å; L44-L46 PolarHBondContact O-N 2.93Å; L44-G47 PolarHBondContact O-N 2.9Å; L44-V48 HydrophobicContact CD1-CG2 4.47Å; L44-V48 WeakPolarHBondContact O-CG2 3.2Å; L44-V48 PolarHBondContact O-N 2.82Å; L44-I82 HydrophobicContact CD1-CG1 3.99Å; L44-F85 HydrophobicContact CD2-CD1 4.49Å; L44-F85 HydrophobicContact CD2-CD2 4.39Å; L44-F85 HydrophobicContact CD2-CG 4.22Å |
| 45 | L | 91.3 | Very high | 85.5 | Confident | 121 Ų | 121 | 44.7 Ų | 44.7 | 63% | 0.634 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.7 | -45.8 | -179.1 | -71.8 | 171.6 | 0 | 0 | 0 | 111.7 | L41 L42 V48 A49 | L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 2.61Å; L42-L45 PolarHBondContact O-N 3.33Å; L45-V48 PolarHBondContact O-N 2.81Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 3.28Å |
| 46 | L | 90.6 | Very high | 86.2 | Confident | 29 Ų | 29 | 43.7 Ų | 43.7 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -40.3 | 177.4 | -72.7 | 169.2 | 0 | 0 | 0 | 111.6 | L42 L44 V48 A49 V50 L184 A187 Q188 V191 | L42-L46 VanDerWaalsContact O-CB 3.3Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 WeakPolarHBondContact O-CG 3.42Å; L42-L46 PolarHBondContact O-N 3.24Å; L44-L46 PolarHBondContact O-N 2.93Å; L46-V48 PolarHBondContact O-N 3Å; L46-A49 PolarHBondContact O-N 3.3Å; L46-V50 WeakPolarHBondContact O-CB 3.33Å; L46-V50 VanDerWaalsContact O-CG2 3.25Å; L46-V50 WeakPolarHBondContact O-CG2 3.19Å; L46-V50 PolarHBondContact O-N 3.29Å; L46-L184 HydrophobicContact CD2-CD2 4.22Å; L46-A187 HydrophobicContact CD1-CB 4.14Å; L46-A187 HydrophobicContact CD2-CB 4.11Å; L46-Q188 HydrophobicContact CB-CB 4.39Å; L46-V191 HydrophobicContact CD1-CB 4.46Å; L46-V191 HydrophobicContact CD1-CG2 3.83Å |
| 47 | G | 88.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.9 | -50.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q43 L44 A49 V50 T51 | Q43-G47 WeakPolarHBondContact O-CA 3.48Å; Q43-G47 PolarHBondContact O-N 3.25Å; L44-G47 PolarHBondContact O-N 2.9Å; G47-A49 PolarHBondContact O-N 3.12Å; G47-V50 PolarHBondContact O-N 3.45Å; G47-T51 PolarHBondContact O-N 3.38Å; G47-T51 PolarHBondContact O-OG1 3.24Å |
| 48 | V | 89.4 | Confident | 86.4 | Confident | 78 Ų | 78 | 42.9 Ų | 42.9 | 47% | 0.473 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.6 | 171 | 0 | 0 | 0 | 0 | 111.7 | L44 L45 L46 T51 A52 | L44-V48 HydrophobicContact CD1-CG2 4.47Å; L44-V48 WeakPolarHBondContact O-CG2 3.2Å; L44-V48 PolarHBondContact O-N 2.82Å; L45-V48 PolarHBondContact O-N 2.81Å; L46-V48 PolarHBondContact O-N 3Å; V48-T51 PolarHBondContact O-N 3.38Å; V48-A52 WeakPolarHBondContact O-CB 3.06Å; V48-A52 PolarHBondContact O-N 3.46Å |
| 49 | A | 90.6 | Very high | 86.1 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 28% | 0.281 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -45.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L45 L46 G47 T51 A52 M53 L184 | L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 3.28Å; L46-A49 PolarHBondContact O-N 3.3Å; G47-A49 PolarHBondContact O-N 3.12Å; A49-T51 VanDerWaalsContact C-N 3.31Å; A49-T51 PolarHBondContact O-N 3.18Å; A49-A52 PolarHBondContact O-N 3Å; A49-M53 WeakPolarHBondContact O-CG 3.4Å; A49-M53 PolarHBondContact O-N 3.13Å; A49-L184 HydrophobicContact CB-CD1 4.44Å; A49-L184 HydrophobicContact CB-CD2 4.34Å |
| 50 | V | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.6 | 167 | 0 | 0 | 0 | 0 | 111.3 | L46 G47 A54 L77 L184 | L46-V50 WeakPolarHBondContact O-CB 3.33Å; L46-V50 VanDerWaalsContact O-CG2 3.25Å; L46-V50 WeakPolarHBondContact O-CG2 3.19Å; L46-V50 PolarHBondContact O-N 3.29Å; G47-V50 PolarHBondContact O-N 3.45Å; V50-A54 PolarHBondContact O-N 2.93Å; V50-A54 VanDerWaalsContact O-N 3.08Å; V50-L77 HydrophobicContact CG1-CD1 3.86Å; V50-L184 HydrophobicContact CG2-CB 3.73Å |
| 51 | T | 88.1 | Confident | 84.3 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 175.5 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | G47 V48 A49 M53 A54 F55 G74 C78 | G47-T51 PolarHBondContact O-N 3.38Å; G47-T51 PolarHBondContact O-OG1 3.24Å; V48-T51 PolarHBondContact O-N 3.38Å; A49-T51 VanDerWaalsContact C-N 3.31Å; A49-T51 PolarHBondContact O-N 3.18Å; T51-M53 VanDerWaalsContact C-N 3.32Å; T51-M53 PolarHBondContact O-N 3.04Å; T51-A54 PolarHBondContact O-N 3.14Å; T51-A54 VanDerWaalsContact O-N 3.13Å; T51-F55 HydrophobicContact CG2-CD2 3.74Å; T51-F55 HydrophobicContact CG2-CE2 3.54Å; T51-F55 VanDerWaalsContact O-CD2 3.28Å; T51-F55 WeakPolarHBondContact O-CD2 3.09Å; T51-F55 PolarHBondContact O-N 3Å; T51-G74 PolarHBondContact OG1-O 3.49Å; T51-C78 WeakPolarHBondContact OG1-CB 3.48Å |
| 52 | A | 88.7 | Confident | 82.9 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V48 A49 A54 F55 L56 | V48-A52 WeakPolarHBondContact O-CB 3.06Å; V48-A52 PolarHBondContact O-N 3.46Å; A49-A52 PolarHBondContact O-N 3Å; A52-A54 VanDerWaalsContact C-N 3.33Å; A52-A54 PolarHBondContact O-N 3.39Å; A52-F55 PolarHBondContact O-N 2.98Å; A52-L56 WeakPolarHBondContact O-CG 3.49Å; A52-L56 PolarHBondContact O-N 3.3Å |
| 53 | M | 86.5 | Confident | 81.3 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 175.5 | -72 | -50.7 | -50.9 | 0 | 0 | 112.6 | A49 T51 F55 L56 M57 Y177 L180 Q181 L184 | A49-M53 WeakPolarHBondContact O-CG 3.4Å; A49-M53 PolarHBondContact O-N 3.13Å; T51-M53 VanDerWaalsContact C-N 3.32Å; T51-M53 PolarHBondContact O-N 3.04Å; M53-F55 VanDerWaalsContact C-N 3.35Å; M53-F55 PolarHBondContact O-N 3.26Å; M53-L56 PolarHBondContact O-N 3.42Å; M53-L56 HydrophobicContact SD-CD1 4.04Å; M53-M57 WeakPolarHBondContact O-CG 3.36Å; M53-M57 PolarHBondContact O-N 3.43Å; M53-Y177 HydrophobicContact CE-CD1 3.48Å; M53-Y177 VanDerWaalsContact CE-CD1 3.48Å; M53-Y177 HydrophobicContact CE-CE1 3.94Å; M53-Y177 HydrophobicContact CE-CG 4.02Å; M53-L180 HydrophobicContact CE-CD2 3.65Å; M53-L180 HydrophobicContact CE-CG 4.45Å; M53-L180 HydrophobicContact CG-CD2 4.27Å; M53-L180 HydrophobicContact SD-CD2 3.62Å; M53-Q181 VanDerWaalsContact CB-OE1 3.23Å; M53-L184 HydrophobicContact CG-CD1 3.71Å |
| 54 | A | 83.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V50 T51 A52 L58 H71 | V50-A54 PolarHBondContact O-N 2.93Å; V50-A54 VanDerWaalsContact O-N 3.08Å; T51-A54 PolarHBondContact O-N 3.14Å; T51-A54 VanDerWaalsContact O-N 3.13Å; A52-A54 VanDerWaalsContact C-N 3.33Å; A52-A54 PolarHBondContact O-N 3.39Å; A54-L58 PolarHBondContact O-N 3.09Å; A54-L58 VanDerWaalsContact O-N 3.12Å; A54-H71 HydrophobicContact CB-CB 4.32Å |
| 55 | F | 83.8 | Confident | 78.1 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 46% | 0.456 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.6 | -35.5 | 173.9 | -79.6 | -72.8 | 0 | 0 | 0 | 112.9 | T51 A52 M53 L58 A59 I75 | T51-F55 HydrophobicContact CG2-CD2 3.74Å; T51-F55 HydrophobicContact CG2-CE2 3.54Å; T51-F55 VanDerWaalsContact O-CD2 3.28Å; T51-F55 WeakPolarHBondContact O-CD2 3.09Å; T51-F55 PolarHBondContact O-N 3Å; A52-F55 PolarHBondContact O-N 2.98Å; M53-F55 VanDerWaalsContact C-N 3.35Å; M53-F55 PolarHBondContact O-N 3.26Å; F55-L58 WeakPolarHBondContact O-CB 3.5Å; F55-L58 PolarHBondContact O-N 3.34Å; F55-A59 PolarHBondContact O-N 3.31Å; F55-I75 HydrophobicContact CZ-CG1 4.45Å |
| 56 | L | 83.3 | Confident | 76.2 | Confident | 85 Ų | 85 | 45 Ų | 45 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 173.2 | -73.7 | 170.4 | 0 | 0 | 0 | 111.4 | A52 M53 L58 A59 I60 | A52-L56 WeakPolarHBondContact O-CG 3.49Å; A52-L56 PolarHBondContact O-N 3.3Å; M53-L56 PolarHBondContact O-N 3.42Å; M53-L56 HydrophobicContact SD-CD1 4.04Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 3.02Å; L56-A59 PolarHBondContact O-N 2.93Å; L56-I60 WeakPolarHBondContact O-CD1 3.42Å; L56-I60 WeakPolarHBondContact O-CG1 3.39Å; L56-I60 PolarHBondContact O-N 3.44Å |
| 57 | M | 78.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 175.4 | -68.2 | -176.7 | 88.3 | 0 | 0 | 112.2 | M53 A59 I60 S61 L174 Y177 F178 | M53-M57 WeakPolarHBondContact O-CG 3.36Å; M53-M57 PolarHBondContact O-N 3.43Å; M57-A59 VanDerWaalsContact C-N 3.34Å; M57-I60 PolarHBondContact O-N 3.49Å; M57-S61 PolarHBondContact O-N 2.92Å; M57-L174 HydrophobicContact CE-CD1 3.68Å; M57-Y177 HydrophobicContact CG-CD2 3.91Å; M57-Y177 HydrophobicContact CG-CG 4.14Å; M57-F178 HydrophobicContact CE-CD1 3.63Å; M57-F178 HydrophobicContact CE-CD2 4.34Å; M57-F178 HydrophobicContact CE-CE1 3.56Å; M57-F178 HydrophobicContact CE-CE2 4.29Å; M57-F178 HydrophobicContact CE-CG 4.01Å; M57-F178 HydrophobicContact CE-CZ 3.9Å |
| 58 | L | 77.8 | Confident | 72.6 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 37% | 0.372 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 174.6 | -168.8 | 97.3 | 0 | 0 | 0 | 111.8 | A54 F55 L56 I60 S61 | A54-L58 PolarHBondContact O-N 3.09Å; A54-L58 VanDerWaalsContact O-N 3.12Å; F55-L58 WeakPolarHBondContact O-CB 3.5Å; F55-L58 PolarHBondContact O-N 3.34Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 3.02Å; L58-I60 VanDerWaalsContact C-N 3.34Å; L58-S61 CarbonylContact O-C 3.59Å |
| 59 | A | 75.8 | Confident | 71.2 | Confident | 78 Ų | 78 | 48.8 Ų | 48.8 | 65% | 0.645 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.7 | -32.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F55 L56 M57 | F55-A59 PolarHBondContact O-N 3.31Å; L56-A59 PolarHBondContact O-N 2.93Å; M57-A59 VanDerWaalsContact C-N 3.34Å |
| 60 | I | 68.3 | Low | 69.9 | Low | 53 Ų | 53 | 47.8 Ų | 47.8 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -86.6 | -21.8 | -173.5 | -68.1 | 166.6 | 0 | 0 | 0 | 112.1 | L56 M57 L58 T169 Y177 | L56-I60 WeakPolarHBondContact O-CD1 3.42Å; L56-I60 WeakPolarHBondContact O-CG1 3.39Å; L56-I60 PolarHBondContact O-N 3.44Å; M57-I60 PolarHBondContact O-N 3.49Å; L58-I60 VanDerWaalsContact C-N 3.34Å; I60-T169 HydrophobicContact CG2-CG2 4.19Å; I60-Y177 HydrophobicContact CD1-CD2 4.49Å; I60-Y177 HydrophobicContact CD1-CE2 3.34Å; I60-Y177 WeakPolarHBondContact CD1-OH 3.48Å |
| 61 | S | 63.1 | Low | 69 | Low | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | trans | -146.7 | 85 | 175 | -72.2 | 0 | 0 | 0 | 0 | 110.1 | M57 L58 S63 L64 | M57-S61 PolarHBondContact O-N 2.92Å; L58-S61 CarbonylContact O-C 3.59Å; S61-S63 PolarHBondContact O-N 3.25Å; S61-S63 VanDerWaalsContact O-N 3.13Å; S61-L64 WeakPolarHBondContact O-CB 3.36Å; S61-L64 PolarHBondContact O-N 2.87Å | ||
| 62 | P | 56.5 | Low | 68.3 | Low | 100 Ų | 100 | 53.4 Ų | 53.4 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.4 | 178.7 | 26 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 63 | S | 56.2 | Low | 67.7 | Low | 37 Ų | 37 | 51 Ų | 51 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.5 | 173.4 | 62.7 | 0 | 0 | 0 | 0 | 114 | S61 M65 D160 Y161 | S61-S63 PolarHBondContact O-N 3.25Å; S61-S63 VanDerWaalsContact O-N 3.13Å; S63-M65 PolarHBondContact O-N 3.48Å; S63-D160 WeakPolarHBondContact CB-O 3.42Å; S63-D160 PolarHBondContact OG-O 3.43Å; S63-Y161 WeakPolarHBondContact OG-CA 3.19Å |
| 64 | L | 57.9 | Low | 67.2 | Low | 12 Ų | 12 | 50.1 Ų | 50.1 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -64.9 | 102.9 | 171.7 | -75.4 | 165.7 | 0 | 0 | 0 | 107.8 | S61 A66 T69 Y161 L174 | S61-L64 WeakPolarHBondContact O-CB 3.36Å; S61-L64 PolarHBondContact O-N 2.87Å; L64-A66 PolarHBondContact O-N 2.81Å; L64-T69 HydrophobicContact CB-CG2 3.56Å; L64-T69 HydrophobicContact CD1-CG2 3.87Å; L64-T69 HydrophobicContact CG-CG2 4.25Å; L64-Y161 HydrophobicContact CD2-CE1 3.91Å; L64-Y161 HydrophobicContact CG-CE1 4.16Å; L64-L174 HydrophobicContact CD1-CD1 3.71Å; L64-L174 HydrophobicContact CD1-CD2 4.41Å; L64-L174 HydrophobicContact CD2-CD2 4.47Å |
| 65 | M | 53.2 | Low | 67 | Low | 107 Ų | 107 | 53.6 Ų | 53.6 | 53% | 0.527 | 29% | 0.286 | S | S | . | . | trans | -47.4 | 144 | -178.7 | -75.3 | -112.2 | -76.8 | 0 | 0 | 110.7 | S63 R67 E68 T69 | S63-M65 PolarHBondContact O-N 3.48Å; M65-R67 PolarHBondContact O-N 2.81Å; M65-E68 HydrophobicContact CB-CG 4.34Å; M65-E68 PolarHBondContact O-N 3.04Å; M65-T69 PolarHBondContact O-N 3.1Å | ||
| 66 | A | 50 | Low | 66.8 | Low | 66 Ų | 66 | 51.8 Ų | 51.8 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -16.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L64 H71 | L64-A66 PolarHBondContact O-N 2.81Å; A66-H71 PolarHBondContact O-CE1 2.95Å; A66-H71 VanDerWaalsContact O-CE1 3.3Å |
| 67 | R | 49.2 | Very low | 66.5 | Low | 158 Ų | 158 | 47.8 Ų | 47.8 | 60% | 0.596 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -22.2 | 173.5 | -166.7 | 175.3 | 69.4 | -168.4 | -0.6 | 113.8 | M65 | M65-R67 PolarHBondContact O-N 2.81Š|
| 68 | E | 55.5 | Low | 66.6 | Low | 26 Ų | 26 | 49 Ų | 49 | 12% | 0.121 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -5.3 | -169.1 | -56.5 | -165 | 176.6 | 0 | 0 | 112.6 | M65 H129 R157 | M65-E68 HydrophobicContact CB-CG 4.34Å; M65-E68 PolarHBondContact O-N 3.04Å; E68-H129 IonicContact OE2-CE1 3.99Å; E68-R157 IonicContact OE1-NH2 3.43Å; E68-R157 PolarHBondContact OE1-NH2 3.48Å |
| 69 | T | 59.7 | Low | 66.8 | Low | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -114.5 | 137.2 | 175.5 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | L64 M65 H71 W72 | L64-T69 HydrophobicContact CB-CG2 3.56Å; L64-T69 HydrophobicContact CD1-CG2 3.87Å; L64-T69 HydrophobicContact CG-CG2 4.25Å; M65-T69 PolarHBondContact O-N 3.1Å; T69-H71 PolarHBondContact O-N 2.98Å; T69-H71 PolarHBondContact O-ND1 2.87Å; T69-H71 VanDerWaalsContact O-ND1 3.16Å; T69-H71 PolarHBondContact OG1-ND1 3.28Å; T69-W72 PolarHBondContact O-NE1 2.95Å |
| 70 | P | 63 | Low | 67 | Low | 13 Ų | 13 | 47.3 Ų | 47.3 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 24.5 | -176.5 | 32.9 | -36 | 0 | 0 | 0 | 113.9 | W72 A73 G74 V122 Q181 | P70-W72 VanDerWaalsContact C-N 3.3Å; P70-W72 PolarHBondContact O-N 3.42Å; P70-A73 HydrophobicContact CB-CB 4.3Å; P70-A73 CarbonylContact O-C 3.54Å; P70-A73 WeakPolarHBondContact O-CB 3.42Å; P70-A73 PolarHBondContact O-N 3.46Å; P70-G74 PolarHBondContact O-N 3.46Å; P70-V122 HydrophobicContact CB-CG1 3.93Å; P70-V122 HydrophobicContact CB-CG2 4.21Å; P70-V122 HydrophobicContact CG-CG1 4.39Å; P70-Q181 HydrophobicContact CG-CG 4.13Å |
| 71 | H | 70.3 | Confident | 67.5 | Low | 41 Ų | 41 | 44.9 Ų | 44.9 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | -178.8 | 65.5 | -80 | 0 | 0 | 0 | 112.1 | A54 A66 T69 A73 G74 I75 | A54-H71 HydrophobicContact CB-CB 4.32Å; A66-H71 PolarHBondContact O-CE1 2.95Å; A66-H71 VanDerWaalsContact O-CE1 3.3Å; T69-H71 PolarHBondContact O-N 2.98Å; T69-H71 PolarHBondContact O-ND1 2.87Å; T69-H71 VanDerWaalsContact O-ND1 3.16Å; T69-H71 PolarHBondContact OG1-ND1 3.28Å; H71-A73 VanDerWaalsContact C-N 3.32Å; H71-A73 PolarHBondContact O-N 3.35Å; H71-G74 PolarHBondContact O-N 3.28Å; H71-I75 VanDerWaalsContact O-CG1 3.32Å; H71-I75 WeakPolarHBondContact O-CG1 3.43Å; H71-I75 PolarHBondContact O-N 3.13Å |
| 72 | W | 73.8 | Confident | 68.4 | Low | 96 Ų | 96 | 47.9 Ų | 47.9 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 171.8 | 59.1 | -88.5 | 0 | 0 | 0 | 111.8 | T69 P70 I75 I76 | T69-W72 PolarHBondContact O-NE1 2.95Å; P70-W72 VanDerWaalsContact C-N 3.3Å; P70-W72 PolarHBondContact O-N 3.42Å; W72-I75 PolarHBondContact O-N 3.42Å; W72-I76 HydrophobicContact CE3-CD1 4.12Å; W72-I76 WeakPolarHBondContact O-CD1 3.42Å; W72-I76 VanDerWaalsContact O-CG1 3.28Å; W72-I76 WeakPolarHBondContact O-CG1 3.23Å; W72-I76 PolarHBondContact O-N 3Å; W72-I76 VanDerWaalsContact O-N 3.16Å |
| 73 | A | 75.6 | Confident | 69.6 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.3 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P70 H71 I75 I76 L77 I118 V122 | P70-A73 HydrophobicContact CB-CB 4.3Å; P70-A73 CarbonylContact O-C 3.54Å; P70-A73 WeakPolarHBondContact O-CB 3.42Å; P70-A73 PolarHBondContact O-N 3.46Å; H71-A73 VanDerWaalsContact C-N 3.32Å; H71-A73 PolarHBondContact O-N 3.35Å; A73-I75 VanDerWaalsContact C-N 3.35Å; A73-I75 PolarHBondContact O-N 3.41Å; A73-I76 PolarHBondContact O-N 3.32Å; A73-L77 WeakPolarHBondContact O-CB 3.31Å; A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.15Å; A73-L77 PolarHBondContact O-N 2.95Å; A73-I118 HydrophobicContact CB-CG2 3.92Å; A73-V122 HydrophobicContact CB-CG2 3.28Å |
| 74 | G | 75.6 | Confident | 70.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T51 P70 H71 C78 | T51-G74 PolarHBondContact OG1-O 3.49Å; P70-G74 PolarHBondContact O-N 3.46Å; H71-G74 PolarHBondContact O-N 3.28Å; G74-C78 WeakPolarHBondContact O-CB 3.12Å; G74-C78 PolarHBondContact O-N 3.08Å |
| 75 | I | 79.6 | Confident | 71.4 | Confident | 75 Ų | 75 | 46.7 Ų | 46.7 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -47.5 | 174.8 | -67.4 | 163.4 | 0 | 0 | 0 | 110.5 | F55 H71 W72 A73 L77 C78 L79 | F55-I75 HydrophobicContact CZ-CG1 4.45Å; H71-I75 VanDerWaalsContact O-CG1 3.32Å; H71-I75 WeakPolarHBondContact O-CG1 3.43Å; H71-I75 PolarHBondContact O-N 3.13Å; W72-I75 PolarHBondContact O-N 3.42Å; A73-I75 VanDerWaalsContact C-N 3.35Å; A73-I75 PolarHBondContact O-N 3.41Å; I75-L77 PolarHBondContact O-N 3.27Å; I75-C78 WeakPolarHBondContact O-CB 3.4Å; I75-C78 PolarHBondContact O-N 3.22Å; I75-L79 HydrophobicContact CG2-CD1 4.16Å; I75-L79 WeakPolarHBondContact O-CG 3.4Å; I75-L79 PolarHBondContact O-N 3.05Å |
| 76 | I | 80.6 | Confident | 72.6 | Confident | 66 Ų | 66 | 47.6 Ų | 47.6 | 34% | 0.338 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -43.8 | -179.7 | -60.9 | 161.1 | 0 | 0 | 0 | 110.7 | W72 A73 C78 L79 V80 I118 | W72-I76 HydrophobicContact CE3-CD1 4.12Å; W72-I76 WeakPolarHBondContact O-CD1 3.42Å; W72-I76 VanDerWaalsContact O-CG1 3.28Å; W72-I76 WeakPolarHBondContact O-CG1 3.23Å; W72-I76 PolarHBondContact O-N 3Å; W72-I76 VanDerWaalsContact O-N 3.16Å; A73-I76 PolarHBondContact O-N 3.32Å; I76-C78 VanDerWaalsContact C-N 3.3Å; I76-C78 PolarHBondContact O-N 3.35Å; I76-L79 PolarHBondContact O-N 2.89Å; I76-V80 HydrophobicContact CG2-CG2 4.15Å; I76-V80 WeakPolarHBondContact O-CB 3.34Å; I76-V80 VanDerWaalsContact O-CG2 3.25Å; I76-V80 WeakPolarHBondContact O-CG2 3.25Å; I76-V80 PolarHBondContact O-N 3.5Å; I76-I118 HydrophobicContact CB-CD1 4.07Å; I76-I118 HydrophobicContact CG2-CD1 3.28Å |
| 77 | L | 75.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 177.6 | -74 | 171.7 | 0 | 0 | 0 | 112.4 | V50 A73 I75 S81 I118 N185 | V50-L77 HydrophobicContact CG1-CD1 3.86Å; A73-L77 WeakPolarHBondContact O-CB 3.31Å; A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.15Å; A73-L77 PolarHBondContact O-N 2.95Å; I75-L77 PolarHBondContact O-N 3.27Å; L77-S81 WeakPolarHBondContact O-CB 3.43Å; L77-S81 PolarHBondContact O-N 3.44Å; L77-S81 PolarHBondContact O-OG 3.46Å; L77-I118 HydrophobicContact CD1-CG2 4.05Å; L77-I118 HydrophobicContact CD2-CB 4.08Å; L77-I118 HydrophobicContact CD2-CG2 3.94Å; L77-I118 HydrophobicContact CG-CB 4.44Å; L77-I118 HydrophobicContact CG-CG2 3.75Å; L77-N185 WeakPolarHBondContact CD1-OD1 3.31Å |
| 78 | C | 81.3 | Confident | 74.5 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 17% | 0.169 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -49.9 | 173.8 | -164.3 | 0 | 0 | 0 | 0 | 111.3 | T51 G74 I75 I76 V80 S81 I82 | T51-C78 WeakPolarHBondContact OG1-CB 3.48Å; G74-C78 WeakPolarHBondContact O-CB 3.12Å; G74-C78 PolarHBondContact O-N 3.08Å; I75-C78 WeakPolarHBondContact O-CB 3.4Å; I75-C78 PolarHBondContact O-N 3.22Å; I76-C78 VanDerWaalsContact C-N 3.3Å; I76-C78 PolarHBondContact O-N 3.35Å; C78-V80 PolarHBondContact O-N 2.89Å; C78-S81 PolarHBondContact O-N 3.45Å; C78-S81 VanDerWaalsContact O-N 3.15Å; C78-I82 WeakPolarHBondContact O-CB 3.36Å; C78-I82 VanDerWaalsContact O-CG1 3.3Å; C78-I82 WeakPolarHBondContact O-CG1 3.37Å; C78-I82 PolarHBondContact O-N 3.42Å |
| 79 | L | 81.3 | Confident | 75.1 | Confident | 100 Ų | 100 | 41.7 Ų | 41.7 | 52% | 0.524 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.6 | -45 | 178.6 | -69.1 | 173.8 | 0 | 0 | 0 | 111.8 | I75 I76 S81 I82 V83 | I75-L79 HydrophobicContact CG2-CD1 4.16Å; I75-L79 WeakPolarHBondContact O-CG 3.4Å; I75-L79 PolarHBondContact O-N 3.05Å; I76-L79 PolarHBondContact O-N 2.89Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.12Å; L79-I82 PolarHBondContact O-N 3.04Å; L79-V83 WeakPolarHBondContact O-CB 3.37Å; L79-V83 VanDerWaalsContact O-CG2 3.23Å; L79-V83 WeakPolarHBondContact O-CG2 3.43Å; L79-V83 PolarHBondContact O-N 3.46Å |
| 80 | V | 80.2 | Confident | 75.5 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.6 | -42.6 | 176.1 | 166.8 | 0 | 0 | 0 | 0 | 110.8 | I76 C78 G84 L111 | I76-V80 HydrophobicContact CG2-CG2 4.15Å; I76-V80 WeakPolarHBondContact O-CB 3.34Å; I76-V80 VanDerWaalsContact O-CG2 3.25Å; I76-V80 WeakPolarHBondContact O-CG2 3.25Å; I76-V80 PolarHBondContact O-N 3.5Å; C78-V80 PolarHBondContact O-N 2.89Å; V80-G84 PolarHBondContact O-N 2.75Å; V80-L111 HydrophobicContact CB-CD2 4.44Å; V80-L111 HydrophobicContact CG1-CB 4.1Å; V80-L111 HydrophobicContact CG1-CD2 4.22Å; V80-L111 VanDerWaalsContact CG1-O 3.31Å; V80-L111 WeakPolarHBondContact CG1-O 3.31Å; V80-L111 HydrophobicContact CG2-CD2 4.16Å |
| 81 | S | 79.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.8 | -39.6 | -178.4 | -53 | 0 | 0 | 0 | 0 | 112.5 | Q43 L77 C78 L79 G84 F85 Q188 | Q43-S81 WeakPolarHBondContact O-CB 3.45Å; Q43-S81 PolarHBondContact O-OG 2.98Å; Q43-S81 VanDerWaalsContact O-OG 3.07Å; L77-S81 WeakPolarHBondContact O-CB 3.43Å; L77-S81 PolarHBondContact O-N 3.44Å; L77-S81 PolarHBondContact O-OG 3.46Å; C78-S81 PolarHBondContact O-N 3.45Å; C78-S81 VanDerWaalsContact O-N 3.15Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.12Å; S81-G84 PolarHBondContact O-N 3.26Å; S81-F85 WeakPolarHBondContact O-CB 3.42Å; S81-F85 PolarHBondContact O-N 2.88Å; S81-Q188 PolarHBondContact OG-NE2 3.02Å |
| 82 | I | 82.1 | Confident | 75.1 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 33% | 0.328 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -51.9 | 174.8 | -70.7 | 167.7 | 0 | 0 | 0 | 110.2 | L44 C78 L79 G84 F85 F86 | L44-I82 HydrophobicContact CD1-CG1 3.99Å; C78-I82 WeakPolarHBondContact O-CB 3.36Å; C78-I82 VanDerWaalsContact O-CG1 3.3Å; C78-I82 WeakPolarHBondContact O-CG1 3.37Å; C78-I82 PolarHBondContact O-N 3.42Å; L79-I82 PolarHBondContact O-N 3.04Å; I82-G84 VanDerWaalsContact C-N 3.32Å; I82-G84 PolarHBondContact O-N 3.29Å; I82-F85 PolarHBondContact O-N 3.4Å; I82-F86 HydrophobicContact CG2-CD2 3.59Å; I82-F86 HydrophobicContact CG2-CE2 3.56Å; I82-F86 VanDerWaalsContact O-CD2 3.25Å; I82-F86 WeakPolarHBondContact O-CD2 3.39Å; I82-F86 PolarHBondContact O-N 2.97Å |
| 83 | V | 80.8 | Confident | 74.2 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 39% | 0.394 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 179.5 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | L79 F85 F86 L87 L111 | L79-V83 WeakPolarHBondContact O-CB 3.37Å; L79-V83 VanDerWaalsContact O-CG2 3.23Å; L79-V83 WeakPolarHBondContact O-CG2 3.43Å; L79-V83 PolarHBondContact O-N 3.46Å; V83-F85 VanDerWaalsContact C-N 3.33Å; V83-F85 PolarHBondContact O-N 2.84Å; V83-F86 PolarHBondContact O-N 3.24Å; V83-L87 HydrophobicContact CG1-CD1 3.91Å; V83-L87 HydrophobicContact CG1-CG 4.19Å; V83-L87 WeakPolarHBondContact O-CB 3.16Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.45Å; V83-L111 HydrophobicContact CB-CD1 4.19Å; V83-L111 HydrophobicContact CG1-CD1 3.67Å |
| 84 | G | 75.8 | Confident | 73.3 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V80 S81 I82 Y88 | V80-G84 PolarHBondContact O-N 2.75Å; S81-G84 PolarHBondContact O-N 3.26Å; I82-G84 VanDerWaalsContact C-N 3.32Å; I82-G84 PolarHBondContact O-N 3.29Å; G84-Y88 WeakPolarHBondContact O-CB 3.49Å; G84-Y88 PolarHBondContact O-N 2.93Å |
| 85 | F | 77.1 | Confident | 72.1 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 25% | 0.25 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.9 | -176.4 | -101.4 | 0 | 0 | 0 | 112.5 | L41 L44 S81 I82 V83 Y88 C89 | L41-F85 HydrophobicContact CD2-CD2 4.36Å; L41-F85 HydrophobicContact CD2-CE2 3.69Å; L41-F85 HydrophobicContact CD2-CZ 4.47Å; L41-F85 HydrophobicContact CG-CE2 4.48Å; L44-F85 HydrophobicContact CD2-CD1 4.49Å; L44-F85 HydrophobicContact CD2-CD2 4.39Å; L44-F85 HydrophobicContact CD2-CG 4.22Å; S81-F85 WeakPolarHBondContact O-CB 3.42Å; S81-F85 PolarHBondContact O-N 2.88Å; I82-F85 PolarHBondContact O-N 3.4Å; V83-F85 VanDerWaalsContact C-N 3.33Å; V83-F85 PolarHBondContact O-N 2.84Å; F85-Y88 WeakPolarHBondContact O-CB 3.44Å; F85-Y88 PolarHBondContact O-N 3.31Å; F85-C89 VanDerWaalsContact CE1-SG 3.58Å; F85-C89 PolarHBondContact O-N 3.27Å; F85-C89 PolarHBondContact O-SG 3.44Å; F85-C89 VanDerWaalsContact O-SG 3.34Å |
| 86 | F | 77.1 | Confident | 70.9 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 55% | 0.553 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.9 | -45.8 | 176.2 | -87 | -71.5 | 0 | 0 | 0 | 112.3 | I82 V83 Y88 C89 I90 | I82-F86 HydrophobicContact CG2-CD2 3.59Å; I82-F86 HydrophobicContact CG2-CE2 3.56Å; I82-F86 VanDerWaalsContact O-CD2 3.25Å; I82-F86 WeakPolarHBondContact O-CD2 3.39Å; I82-F86 PolarHBondContact O-N 2.97Å; V83-F86 PolarHBondContact O-N 3.24Å; F86-Y88 PolarHBondContact O-N 3.47Å; F86-C89 PolarHBondContact O-N 3.46Å; F86-I90 VanDerWaalsContact O-CG1 3.31Å; F86-I90 WeakPolarHBondContact O-CG1 3.46Å; F86-I90 PolarHBondContact O-N 2.9Å |
| 87 | L | 70.4 | Confident | 69.6 | Low | 28 Ų | 28 | 81.1 Ų | 81.1 | 15% | 0.147 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 176.8 | -73.4 | 177.1 | 0 | 0 | 0 | 111.7 | V83 T91 V104 L107 L111 | V83-L87 HydrophobicContact CG1-CD1 3.91Å; V83-L87 HydrophobicContact CG1-CG 4.19Å; V83-L87 WeakPolarHBondContact O-CB 3.16Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.45Å; L87-T91 PolarHBondContact O-N 3.42Å; L87-T91 PolarHBondContact O-OG1 3.37Å; L87-V104 HydrophobicContact CB-CG1 3.9Å; L87-V104 HydrophobicContact CD2-CG1 4.13Å; L87-V104 HydrophobicContact CD2-CG2 4.42Å; L87-V104 HydrophobicContact CG-CG1 4.48Å; L87-L107 HydrophobicContact CD1-CB 3.95Å; L87-L111 HydrophobicContact CD1-CD1 3.63Å |
| 88 | Y | 68.8 | Low | 69 | Low | 34 Ų | 34 | 83.8 Ų | 83.8 | 13% | 0.133 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66 | -46.9 | 173.8 | -177.9 | -96.2 | 0 | 0 | 0 | 112.2 | P36 L37 A40 G84 F85 F86 I90 T91 Y92 | P36-Y88 HydrophobicContact CB-CE2 3.75Å; L37-Y88 HydrophobicContact CB-CE1 3.82Å; L37-Y88 WeakPolarHBondContact CB-OH 3.32Å; L37-Y88 HydrophobicContact CD1-CD1 4.1Å; L37-Y88 HydrophobicContact CD1-CE1 3.51Å; L37-Y88 HydrophobicContact CG-CE1 4.23Å; A40-Y88 HydrophobicContact CB-CG 4.37Å; G84-Y88 WeakPolarHBondContact O-CB 3.49Å; G84-Y88 PolarHBondContact O-N 2.93Å; F85-Y88 WeakPolarHBondContact O-CB 3.44Å; F85-Y88 PolarHBondContact O-N 3.31Å; F86-Y88 PolarHBondContact O-N 3.47Å; Y88-I90 VanDerWaalsContact C-N 3.3Å; Y88-I90 PolarHBondContact O-N 2.92Å; Y88-T91 CarbonylContact O-C 3.59Å; Y88-T91 PolarHBondContact O-N 2.95Å; Y88-T91 VanDerWaalsContact O-N 3.09Å; Y88-T91 PolarHBondContact O-OG1 3.37Å; Y88-Y92 HydrophobicContact CE1-CD2 4.3Å; Y88-Y92 PolarHBondContact O-N 2.93Å; Y88-Y92 VanDerWaalsContact O-N 3.15Å |
| 89 | C | 69.9 | Low | 68.4 | Low | 64 Ų | 64 | 87.3 Ų | 87.3 | 43% | 0.432 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 178.9 | -72.9 | 0 | 0 | 0 | 0 | 112.6 | F85 F86 T91 | F85-C89 VanDerWaalsContact CE1-SG 3.58Å; F85-C89 PolarHBondContact O-N 3.27Å; F85-C89 PolarHBondContact O-SG 3.44Å; F85-C89 VanDerWaalsContact O-SG 3.34Å; F86-C89 PolarHBondContact O-N 3.46Å; C89-T91 VanDerWaalsContact C-N 3.27Å; C89-T91 PolarHBondContact O-N 2.94Å |
| 90 | I | 67.8 | Low | 67.7 | Low | 130 Ų | 130 | 86.7 Ų | 86.7 | 67% | 0.667 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -69 | -27.3 | 177.9 | -65.7 | 165.6 | 0 | 0 | 0 | 111.6 | F86 Y88 | F86-I90 VanDerWaalsContact O-CG1 3.31Å; F86-I90 WeakPolarHBondContact O-CG1 3.46Å; F86-I90 PolarHBondContact O-N 2.9Å; Y88-I90 VanDerWaalsContact C-N 3.3Å; Y88-I90 PolarHBondContact O-N 2.92Å |
| 91 | T | 62.5 | Low | 67.3 | Low | 42 Ų | 42 | 87.9 Ų | 87.9 | 26% | 0.258 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 7.9 | -175.2 | 51 | 0 | 0 | 0 | 0 | 114.8 | L87 Y88 C89 Q93 V104 | L87-T91 PolarHBondContact O-N 3.42Å; L87-T91 PolarHBondContact O-OG1 3.37Å; Y88-T91 CarbonylContact O-C 3.59Å; Y88-T91 PolarHBondContact O-N 2.95Å; Y88-T91 VanDerWaalsContact O-N 3.09Å; Y88-T91 PolarHBondContact O-OG1 3.37Å; C89-T91 VanDerWaalsContact C-N 3.27Å; C89-T91 PolarHBondContact O-N 2.94Å; T91-Q93 CarbonylContact O-C 3.59Å; T91-Q93 PolarHBondContact O-N 3.38Å; T91-V104 HydrophobicContact CG2-CB 3.66Å; T91-V104 HydrophobicContact CG2-CG1 3.38Å; T91-V104 HydrophobicContact CG2-CG2 3.83Å |
| 92 | Y | 61 | Low | 67 | Low | 157 Ų | 157 | 92.5 Ų | 92.5 | 62% | 0.616 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -61.9 | -25 | -178.7 | -176.7 | -102.9 | 0 | 0 | 0 | 113.7 | Y88 P94 | Y88-Y92 HydrophobicContact CE1-CD2 4.3Å; Y88-Y92 PolarHBondContact O-N 2.93Å; Y88-Y92 VanDerWaalsContact O-N 3.15Å; Y92-P94 WeakPolarHBondContact O-CD 3.45Å |
| 93 | Q | 56.2 | Low | 66.8 | Low | 168 Ų | 168 | 93.8 Ų | 93.8 | 79% | 0.785 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -90.4 | 113.8 | 165.4 | -74.1 | -146.4 | -20.9 | 0 | 0 | 110.1 | T91 D95 | T91-Q93 CarbonylContact O-C 3.59Å; T91-Q93 PolarHBondContact O-N 3.38Å; Q93-D95 VanDerWaalsContact C-N 3.3Å; Q93-D95 PolarHBondContact O-N 3.48Å |
| 94 | P | 55.9 | Low | 66.6 | Low | 92 Ų | 92 | 91.4 Ų | 91.4 | 60% | 0.597 | 46% | 0.457 | S | S | * | . | trans | -75.7 | 86.7 | 176.2 | 31.4 | -31.5 | 0 | 0 | 0 | 108.5 | Y92 E96 | Y92-P94 WeakPolarHBondContact O-CD 3.45Å; P94-E96 PolarHBondContact O-N 2.82Å | ||
| 95 | D | 51.1 | Low | 66.7 | Low | 126 Ų | 126 | 95 Ų | 95 | 67% | 0.674 | 47% | 0.472 | S | S | * | . | trans | -88.2 | 90.6 | 164.3 | -151.3 | -4.3 | 0 | 0 | 0 | 107.7 | Q93 R97 | Q93-D95 VanDerWaalsContact C-N 3.3Å; Q93-D95 PolarHBondContact O-N 3.48Å; D95-R97 PolarHBondContact O-N 3.01Å | ||
| 96 | E | 53.4 | Low | 66.9 | Low | 167 Ų | 167 | 95.4 Ų | 95.4 | 78% | 0.78 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 4.2 | -167.5 | -70.2 | -179.5 | 147.4 | 0 | 0 | 114.9 | P94 | P94-E96 PolarHBondContact O-N 2.82Š|
| 97 | R | 53.1 | Low | 67.3 | Low | 241 Ų | 241 | 93.1 Ų | 93.1 | 91% | 0.909 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 9.1 | -170.2 | -94.3 | -174.6 | 177.5 | 166.4 | 1.9 | 117.1 | D95 | D95-R97 PolarHBondContact O-N 3.01Š|
| 98 | S | 62.9 | Low | 67.9 | Low | 56 Ų | 56 | 92.5 Ų | 92.5 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | trans | -123.6 | 140.5 | -178.1 | 77.3 | 0 | 0 | 0 | 0 | 114.7 | T100 Q101 | S98-T100 PolarHBondContact O-N 3.47Å; S98-T100 WeakPolarHBondContact OG-CB 3.48Å; S98-Q101 PolarHBondContact O-N 3.39Å; S98-Q101 VanDerWaalsContact O-N 3.1Å | ||
| 99 | S | 69.1 | Low | 68.7 | Low | 98 Ų | 98 | 93.7 Ų | 93.7 | 69% | 0.685 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -52 | -21 | 168.1 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | F102 I103 | S99-F102 WeakPolarHBondContact O-CB 3.45Å; S99-F102 PolarHBondContact O-N 3.4Å; S99-I103 WeakPolarHBondContact O-CG1 3.35Å; S99-I103 PolarHBondContact O-N 2.94Å |
| 100 | T | 67.8 | Low | 69.7 | Low | 88 Ų | 88 | 94.5 Ų | 94.5 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.8 | -46.4 | 0 | 0 | 0 | 0 | 112.4 | S98 F102 I103 V104 | S98-T100 PolarHBondContact O-N 3.47Å; S98-T100 WeakPolarHBondContact OG-CB 3.48Å; T100-F102 VanDerWaalsContact C-N 3.27Å; T100-F102 PolarHBondContact O-N 3.5Å; T100-I103 PolarHBondContact O-N 2.94Å; T100-V104 WeakPolarHBondContact O-CG2 3.35Å; T100-V104 PolarHBondContact O-N 2.82Å |
| 101 | Q | 70.4 | Confident | 70.6 | Confident | 40 Ų | 40 | 89.8 Ų | 89.8 | 19% | 0.187 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 179 | -165.2 | -173.1 | 14 | 0 | 0 | 111.4 | S98 K105 | S98-Q101 PolarHBondContact O-N 3.39Å; S98-Q101 VanDerWaalsContact O-N 3.1Å; Q101-K105 WeakPolarHBondContact O-CB 3.43Å; Q101-K105 WeakPolarHBondContact O-CG 3.49Å; Q101-K105 PolarHBondContact O-N 3.07Å |
| 102 | F | 74.4 | Confident | 71.9 | Confident | 99 Ų | 99 | 87.8 Ų | 87.8 | 43% | 0.434 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 173.4 | 172.4 | -98.2 | 0 | 0 | 0 | 111.7 | S99 T100 V104 K105 L106 | S99-F102 WeakPolarHBondContact O-CB 3.45Å; S99-F102 PolarHBondContact O-N 3.4Å; T100-F102 VanDerWaalsContact C-N 3.27Å; T100-F102 PolarHBondContact O-N 3.5Å; F102-V104 VanDerWaalsContact C-N 3.31Å; F102-V104 PolarHBondContact O-N 3.14Å; F102-K105 PolarHBondContact O-N 3.49Å; F102-L106 HydrophobicContact CE1-CD2 4.34Å; F102-L106 WeakPolarHBondContact O-CB 3.28Å; F102-L106 PolarHBondContact O-N 3.32Å |
| 103 | I | 78.3 | Confident | 73.3 | Confident | 91 Ų | 91 | 82.8 Ų | 82.8 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 178.1 | -68 | 165.8 | 0 | 0 | 0 | 110.2 | S99 T100 L106 L107 | S99-I103 WeakPolarHBondContact O-CG1 3.35Å; S99-I103 PolarHBondContact O-N 2.94Å; T100-I103 PolarHBondContact O-N 2.94Å; I103-L106 PolarHBondContact O-N 3.07Å; I103-L107 HydrophobicContact CG2-CD1 3.87Å; I103-L107 HydrophobicContact CG2-CG 4.26Å; I103-L107 WeakPolarHBondContact O-CB 3.48Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.23Å; I103-L107 PolarHBondContact O-N 3.22Å |
| 104 | V | 75.3 | Confident | 74.9 | Confident | 14 Ų | 14 | 77.6 Ų | 77.6 | 9% | 0.085 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | -179.6 | 176.8 | 0 | 0 | 0 | 0 | 112.2 | L87 T91 T100 F102 L106 L107 Y108 | L87-V104 HydrophobicContact CB-CG1 3.9Å; L87-V104 HydrophobicContact CD2-CG1 4.13Å; L87-V104 HydrophobicContact CD2-CG2 4.42Å; L87-V104 HydrophobicContact CG-CG1 4.48Å; T91-V104 HydrophobicContact CG2-CB 3.66Å; T91-V104 HydrophobicContact CG2-CG1 3.38Å; T91-V104 HydrophobicContact CG2-CG2 3.83Å; T100-V104 WeakPolarHBondContact O-CG2 3.35Å; T100-V104 PolarHBondContact O-N 2.82Å; F102-V104 VanDerWaalsContact C-N 3.31Å; F102-V104 PolarHBondContact O-N 3.14Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 3.3Å; V104-L107 PolarHBondContact O-N 2.86Å; V104-Y108 WeakPolarHBondContact O-CB 3.36Å; V104-Y108 PolarHBondContact O-N 3.49Å |
| 105 | K | 77.7 | Confident | 76.5 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 175.4 | -75.1 | -179.2 | -179.5 | -177.8 | 0 | 111.7 | Q101 F102 Y108 F109 M199 D202 | Q101-K105 WeakPolarHBondContact O-CB 3.43Å; Q101-K105 WeakPolarHBondContact O-CG 3.49Å; Q101-K105 PolarHBondContact O-N 3.07Å; F102-K105 PolarHBondContact O-N 3.49Å; K105-Y108 PolarHBondContact O-N 2.89Å; K105-F109 WeakPolarHBondContact O-CB 3.49Å; K105-F109 PolarHBondContact O-N 2.92Å; K105-M199 HydrophobicContact CB-SD 4.48Å; K105-M199 HydrophobicContact CG-SD 4.31Å; K105-D202 WeakPolarHBondContact CE-OD2 2.95Å; K105-D202 IonicContact NZ-OD2 2.65Å; K105-D202 PolarHBondContact NZ-OD2 3.06Å |
| 106 | L | 82.9 | Confident | 78.6 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 176.5 | -179.1 | 62.7 | 0 | 0 | 0 | 111.8 | F102 I103 V104 Y108 F109 I110 | F102-L106 HydrophobicContact CE1-CD2 4.34Å; F102-L106 WeakPolarHBondContact O-CB 3.28Å; F102-L106 PolarHBondContact O-N 3.32Å; I103-L106 PolarHBondContact O-N 3.07Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 3.3Å; L106-Y108 VanDerWaalsContact C-N 3.35Å; L106-Y108 PolarHBondContact O-N 3.43Å; L106-F109 WeakPolarHBondContact O-CB 3.3Å; L106-F109 PolarHBondContact O-N 3Å; L106-I110 HydrophobicContact CD1-CD1 4.34Å; L106-I110 HydrophobicContact CG-CD1 4.1Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 3.3Å |
| 107 | L | 83.7 | Confident | 80.5 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 41% | 0.414 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.2 | -72.2 | 173.9 | 0 | 0 | 0 | 111.2 | L87 I103 V104 F109 I110 L111 | L87-L107 HydrophobicContact CD1-CB 3.95Å; I103-L107 HydrophobicContact CG2-CD1 3.87Å; I103-L107 HydrophobicContact CG2-CG 4.26Å; I103-L107 WeakPolarHBondContact O-CB 3.48Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.23Å; I103-L107 PolarHBondContact O-N 3.22Å; V104-L107 PolarHBondContact O-N 2.86Å; L107-F109 PolarHBondContact O-N 3.47Å; L107-I110 PolarHBondContact O-N 2.82Å; L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 3.44Å |
| 108 | Y | 83.6 | Confident | 82.3 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 177.6 | -172.9 | -113.9 | 0 | 0 | 0 | 112.4 | Q43 V104 K105 L106 L111 C112 M199 | Q43-Y108 PolarHBondContact OE1-OH 3.18Å; V104-Y108 WeakPolarHBondContact O-CB 3.36Å; V104-Y108 PolarHBondContact O-N 3.49Å; K105-Y108 PolarHBondContact O-N 2.89Å; L106-Y108 VanDerWaalsContact C-N 3.35Å; L106-Y108 PolarHBondContact O-N 3.43Å; Y108-L111 PolarHBondContact O-N 2.8Å; Y108-C112 WeakPolarHBondContact O-CB 3.47Å; Y108-C112 PolarHBondContact O-N 3.37Å; Y108-C112 PolarHBondContact O-SG 2.99Å; Y108-M199 HydrophobicContact CD1-CE 4.17Å; Y108-M199 HydrophobicContact CD1-CG 3.65Å; Y108-M199 HydrophobicContact CD1-SD 3.83Å; Y108-M199 HydrophobicContact CE1-CE 4.26Å; Y108-M199 HydrophobicContact CE1-CG 4.2Å; Y108-M199 HydrophobicContact CE1-SD 4.49Å |
| 109 | F | 86.8 | Confident | 83.7 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 172.5 | 175 | -93.8 | 0 | 0 | 0 | 112.4 | K105 L106 L107 C112 T113 A196 M199 W200 | K105-F109 WeakPolarHBondContact O-CB 3.49Å; K105-F109 PolarHBondContact O-N 2.92Å; L106-F109 WeakPolarHBondContact O-CB 3.3Å; L106-F109 PolarHBondContact O-N 3Å; L107-F109 PolarHBondContact O-N 3.47Å; F109-C112 PolarHBondContact O-N 3.48Å; F109-T113 WeakPolarHBondContact O-CB 3.4Å; F109-T113 PolarHBondContact O-N 3.06Å; F109-T113 PolarHBondContact O-OG1 3.03Å; F109-A196 HydrophobicContact CD2-CB 4.19Å; F109-A196 HydrophobicContact CE2-CB 4.07Å; F109-M199 HydrophobicContact CB-CB 4.16Å; F109-M199 HydrophobicContact CD2-CB 4.12Å; F109-W200 HydrophobicContact CE2-CB 4.3Å; F109-W200 HydrophobicContact CE2-CE3 4.31Å; F109-W200 HydrophobicContact CZ-CE3 4.29Å |
| 110 | I | 88.9 | Confident | 84.8 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 42% | 0.415 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 176 | -68.4 | 165.9 | 0 | 0 | 0 | 110 | L106 L107 C112 T113 T114 | L106-I110 HydrophobicContact CD1-CD1 4.34Å; L106-I110 HydrophobicContact CG-CD1 4.1Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 3.3Å; L107-I110 PolarHBondContact O-N 2.82Å; I110-C112 PolarHBondContact O-N 2.9Å; I110-T113 PolarHBondContact O-N 3.3Å; I110-T114 WeakPolarHBondContact O-CB 3.41Å; I110-T114 PolarHBondContact O-N 2.78Å; I110-T114 PolarHBondContact O-OG1 3.34Å |
| 111 | L | 87.6 | Confident | 86 | Confident | 32 Ų | 32 | 51 Ų | 51 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 177.7 | -73.5 | 170.4 | 0 | 0 | 0 | 112.2 | V80 V83 L87 L107 Y108 T113 T114 G115 | V80-L111 HydrophobicContact CB-CD2 4.44Å; V80-L111 HydrophobicContact CG1-CB 4.1Å; V80-L111 HydrophobicContact CG1-CD2 4.22Å; V80-L111 VanDerWaalsContact CG1-O 3.31Å; V80-L111 WeakPolarHBondContact CG1-O 3.31Å; V80-L111 HydrophobicContact CG2-CD2 4.16Å; V83-L111 HydrophobicContact CB-CD1 4.19Å; V83-L111 HydrophobicContact CG1-CD1 3.67Å; L87-L111 HydrophobicContact CD1-CD1 3.63Å; L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 3.44Å; Y108-L111 PolarHBondContact O-N 2.8Å; L111-T113 VanDerWaalsContact C-N 3.33Å; L111-T113 PolarHBondContact O-N 3.29Å; L111-T114 PolarHBondContact O-N 2.87Å; L111-G115 PolarHBondContact O-N 2.96Å |
| 112 | C | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 175.6 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | Q43 Y108 F109 I110 G115 L116 C192 A196 | Q43-C112 PolarHBondContact NE2-SG 3.35Å; Y108-C112 WeakPolarHBondContact O-CB 3.47Å; Y108-C112 PolarHBondContact O-N 3.37Å; Y108-C112 PolarHBondContact O-SG 2.99Å; F109-C112 PolarHBondContact O-N 3.48Å; I110-C112 PolarHBondContact O-N 2.9Å; C112-G115 PolarHBondContact O-N 3.16Å; C112-L116 WeakPolarHBondContact O-CB 3.3Å; C112-L116 PolarHBondContact O-N 3.45Å; C112-C192 WeakPolarHBondContact O-CB 3.49Å; C112-A196 HydrophobicContact CB-CB 4.02Å |
| 113 | T | 91.1 | Very high | 87.7 | Confident | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -44.2 | 179 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | F109 I110 L111 G115 L116 V117 | F109-T113 WeakPolarHBondContact O-CB 3.4Å; F109-T113 PolarHBondContact O-N 3.06Å; F109-T113 PolarHBondContact O-OG1 3.03Å; I110-T113 PolarHBondContact O-N 3.3Å; L111-T113 VanDerWaalsContact C-N 3.33Å; L111-T113 PolarHBondContact O-N 3.29Å; T113-G115 VanDerWaalsContact C-N 3.35Å; T113-L116 WeakPolarHBondContact O-CB 3.46Å; T113-L116 PolarHBondContact O-N 3.34Å; T113-V117 WeakPolarHBondContact O-CG2 3.25Å; T113-V117 PolarHBondContact O-N 3.46Å |
| 114 | T | 89.9 | Confident | 88.4 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -44 | 174.5 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | I110 L111 L116 V117 I118 | I110-T114 WeakPolarHBondContact O-CB 3.41Å; I110-T114 PolarHBondContact O-N 2.78Å; I110-T114 PolarHBondContact O-OG1 3.34Å; L111-T114 PolarHBondContact O-N 2.87Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 3.46Å; T114-V117 PolarHBondContact O-N 3.5Å; T114-I118 HydrophobicContact CG2-CD1 3.74Å; T114-I118 HydrophobicContact CG2-CG1 4.35Å; T114-I118 WeakPolarHBondContact O-CB 3.37Å; T114-I118 VanDerWaalsContact O-CG1 3.29Å; T114-I118 WeakPolarHBondContact O-CG1 3.21Å; T114-I118 PolarHBondContact O-N 3.38Å |
| 115 | G | 90 | Very high | 89 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L111 C112 T113 I118 S119 | L111-G115 PolarHBondContact O-N 2.96Å; C112-G115 PolarHBondContact O-N 3.16Å; T113-G115 VanDerWaalsContact C-N 3.35Å; G115-I118 PolarHBondContact O-N 2.87Å; G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-N 3.03Å; G115-S119 PolarHBondContact O-OG 3.15Å; G115-S119 VanDerWaalsContact O-OG 3.08Å |
| 116 | L | 93.8 | Very high | 89.5 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -50.7 | 174.6 | 172.5 | 63.9 | 0 | 0 | 0 | 111.9 | C112 T113 T114 I118 S119 L120 A189 C192 A193 | C112-L116 WeakPolarHBondContact O-CB 3.3Å; C112-L116 PolarHBondContact O-N 3.45Å; T113-L116 WeakPolarHBondContact O-CB 3.46Å; T113-L116 PolarHBondContact O-N 3.34Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 3.46Å; L116-I118 PolarHBondContact O-N 3.1Å; L116-S119 PolarHBondContact O-N 3.27Å; L116-L120 HydrophobicContact CD1-CD1 4.13Å; L116-L120 HydrophobicContact CD1-CG 4.28Å; L116-L120 HydrophobicContact CG-CD1 4.37Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 3.44Å; L116-A189 HydrophobicContact CD1-CB 3.74Å; L116-A189 WeakPolarHBondContact CD1-O 3.25Å; L116-C192 HydrophobicContact CB-CB 4Å; L116-A193 HydrophobicContact CD1-CB 4.38Å; L116-A193 HydrophobicContact CD2-CB 4.39Å |
| 117 | V | 93.8 | Very high | 89.8 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 47% | 0.473 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -47.4 | -179.4 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | T113 T114 S119 L120 L121 | T113-V117 WeakPolarHBondContact O-CG2 3.25Å; T113-V117 PolarHBondContact O-N 3.46Å; T114-V117 PolarHBondContact O-N 3.5Å; V117-S119 PolarHBondContact O-N 3.5Å; V117-L120 PolarHBondContact O-N 2.83Å; V117-L121 HydrophobicContact CG1-CD1 4.13Å; V117-L121 HydrophobicContact CG1-CG 4.48Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 2.83Å |
| 118 | I | 90.4 | Very high | 90 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 179.7 | -66.2 | 173.6 | 0 | 0 | 0 | 110.7 | A73 I76 L77 T114 G115 L116 L120 L121 V122 | A73-I118 HydrophobicContact CB-CG2 3.92Å; I76-I118 HydrophobicContact CB-CD1 4.07Å; I76-I118 HydrophobicContact CG2-CD1 3.28Å; L77-I118 HydrophobicContact CD1-CG2 4.05Å; L77-I118 HydrophobicContact CD2-CB 4.08Å; L77-I118 HydrophobicContact CD2-CG2 3.94Å; L77-I118 HydrophobicContact CG-CB 4.44Å; L77-I118 HydrophobicContact CG-CG2 3.75Å; T114-I118 HydrophobicContact CG2-CD1 3.74Å; T114-I118 HydrophobicContact CG2-CG1 4.35Å; T114-I118 WeakPolarHBondContact O-CB 3.37Å; T114-I118 VanDerWaalsContact O-CG1 3.29Å; T114-I118 WeakPolarHBondContact O-CG1 3.21Å; T114-I118 PolarHBondContact O-N 3.38Å; G115-I118 PolarHBondContact O-N 2.87Å; L116-I118 PolarHBondContact O-N 3.1Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.39Å; I118-L121 WeakPolarHBondContact O-CB 3.4Å; I118-L121 PolarHBondContact O-N 2.88Å; I118-V122 HydrophobicContact CG2-CG2 4.38Å; I118-V122 WeakPolarHBondContact O-CG2 3.33Å; I118-V122 PolarHBondContact O-N 3.28Å |
| 119 | S | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -41 | 177.4 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | G115 L116 V117 V122 V123 N185 Q188 | G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-N 3.03Å; G115-S119 PolarHBondContact O-OG 3.15Å; G115-S119 VanDerWaalsContact O-OG 3.08Å; L116-S119 PolarHBondContact O-N 3.27Å; V117-S119 PolarHBondContact O-N 3.5Å; S119-V122 PolarHBondContact O-N 2.91Å; S119-V123 VanDerWaalsContact O-CG2 3.31Å; S119-V123 WeakPolarHBondContact O-CG2 3.5Å; S119-V123 PolarHBondContact O-N 3.4Å; S119-N185 WeakPolarHBondContact CB-O 3.46Å; S119-Q188 WeakPolarHBondContact OG-CG 3.25Å |
| 120 | L | 93.8 | Very high | 90.2 | Very high | 91 Ų | 91 | 45.1 Ų | 45.1 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 175.6 | -68 | 176.7 | 0 | 0 | 0 | 112.7 | L116 V117 I118 V122 V123 A124 A189 | L116-L120 HydrophobicContact CD1-CD1 4.13Å; L116-L120 HydrophobicContact CD1-CG 4.28Å; L116-L120 HydrophobicContact CG-CD1 4.37Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 3.44Å; V117-L120 PolarHBondContact O-N 2.83Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.39Å; L120-V122 VanDerWaalsContact C-N 3.35Å; L120-V123 PolarHBondContact O-N 2.83Å; L120-A124 PolarHBondContact O-N 3.4Å; L120-A189 HydrophobicContact CD2-CB 4.31Å |
| 121 | L | 91.3 | Very high | 90.2 | Very high | 80 Ų | 80 | 43.9 Ų | 43.9 | 42% | 0.419 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173.3 | -70.8 | 172.7 | 0 | 0 | 0 | 110.8 | V117 I118 V123 A124 F125 | V117-L121 HydrophobicContact CG1-CD1 4.13Å; V117-L121 HydrophobicContact CG1-CG 4.48Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 2.83Å; I118-L121 WeakPolarHBondContact O-CB 3.4Å; I118-L121 PolarHBondContact O-N 2.88Å; L121-V123 VanDerWaalsContact C-N 3.32Å; L121-V123 PolarHBondContact O-N 2.67Å; L121-A124 PolarHBondContact O-N 3.31Å; L121-F125 WeakPolarHBondContact O-CD2 3.34Å; L121-F125 PolarHBondContact O-N 3.37Å |
| 122 | V | 89.5 | Confident | 90 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | P70 A73 I118 S119 L120 A124 F125 A126 Q181 N185 | P70-V122 HydrophobicContact CB-CG1 3.93Å; P70-V122 HydrophobicContact CB-CG2 4.21Å; P70-V122 HydrophobicContact CG-CG1 4.39Å; A73-V122 HydrophobicContact CB-CG2 3.28Å; I118-V122 HydrophobicContact CG2-CG2 4.38Å; I118-V122 WeakPolarHBondContact O-CG2 3.33Å; I118-V122 PolarHBondContact O-N 3.28Å; S119-V122 PolarHBondContact O-N 2.91Å; L120-V122 VanDerWaalsContact C-N 3.35Å; V122-A124 VanDerWaalsContact C-N 3.34Å; V122-A124 PolarHBondContact O-N 3.34Å; V122-F125 PolarHBondContact O-N 2.98Å; V122-A126 WeakPolarHBondContact O-CB 3.49Å; V122-A126 PolarHBondContact O-N 3.36Å; V122-Q181 HydrophobicContact CG1-CG 3.94Å; V122-N185 HydrophobicContact CB-CB 4.4Å; V122-N185 HydrophobicContact CG1-CB 4.27Å; V122-N185 WeakPolarHBondContact CG1-ND2 3.5Å |
| 123 | V | 92.6 | Very high | 89.7 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.6 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | S119 L120 L121 G127 I182 N185 L186 | S119-V123 VanDerWaalsContact O-CG2 3.31Å; S119-V123 WeakPolarHBondContact O-CG2 3.5Å; S119-V123 PolarHBondContact O-N 3.4Å; L120-V123 PolarHBondContact O-N 2.83Å; L121-V123 VanDerWaalsContact C-N 3.32Å; L121-V123 PolarHBondContact O-N 2.67Å; V123-G127 PolarHBondContact O-N 3.34Å; V123-I182 HydrophobicContact CG1-CG2 4.3Å; V123-N185 HydrophobicContact CG2-CB 3.71Å; V123-L186 HydrophobicContact CG1-CD2 4.18Å; V123-L186 HydrophobicContact CG1-CG 4.39Å; V123-L186 HydrophobicContact CG2-CD2 4.01Å; V123-L186 HydrophobicContact CG2-CG 3.86Å |
| 124 | A | 91.8 | Very high | 89.4 | Confident | 63 Ų | 63 | 45.2 Ų | 45.2 | 52% | 0.521 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L120 L121 V122 G127 H128 | L120-A124 PolarHBondContact O-N 3.4Å; L121-A124 PolarHBondContact O-N 3.31Å; V122-A124 VanDerWaalsContact C-N 3.34Å; V122-A124 PolarHBondContact O-N 3.34Å; A124-G127 PolarHBondContact O-N 2.92Å; A124-H128 WeakPolarHBondContact O-CB 3.25Å; A124-H128 PolarHBondContact O-N 3.03Å |
| 125 | F | 87.8 | Confident | 89.2 | Confident | 97 Ų | 97 | 45.4 Ų | 45.4 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -50.1 | 177.5 | -90.1 | -97.2 | 0 | 0 | 0 | 112 | L121 V122 G127 H128 H129 | L121-F125 WeakPolarHBondContact O-CD2 3.34Å; L121-F125 PolarHBondContact O-N 3.37Å; V122-F125 PolarHBondContact O-N 2.98Å; F125-G127 VanDerWaalsContact C-N 3.29Å; F125-G127 PolarHBondContact O-N 3.39Å; F125-H128 PolarHBondContact O-N 2.98Å; F125-H129 PolarHBondContact O-CD2 3.08Å; F125-H129 PolarHBondContact O-N 3.5Å |
| 126 | A | 88.3 | Confident | 89 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V122 H130 F178 Q181 I182 | V122-A126 WeakPolarHBondContact O-CB 3.49Å; V122-A126 PolarHBondContact O-N 3.36Å; A126-H130 WeakPolarHBondContact O-CB 3.4Å; A126-H130 PolarHBondContact O-N 3.36Å; A126-F178 HydrophobicContact CB-CD1 4.23Å; A126-Q181 HydrophobicContact CB-CB 4.46Å; A126-I182 HydrophobicContact CB-CD1 4.36Å; A126-I182 HydrophobicContact CB-CG1 3.7Å |
| 127 | G | 90.1 | Very high | 88.6 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | V123 A124 F125 H130 A131 | V123-G127 PolarHBondContact O-N 3.34Å; A124-G127 PolarHBondContact O-N 2.92Å; F125-G127 VanDerWaalsContact C-N 3.29Å; F125-G127 PolarHBondContact O-N 3.39Å; G127-H130 PolarHBondContact O-N 3.29Å; G127-A131 WeakPolarHBondContact O-CB 3.3Å; G127-A131 PolarHBondContact O-N 3.2Å |
| 128 | H | 87.9 | Confident | 88.2 | Confident | 125 Ų | 125 | 46.2 Ų | 46.2 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 175.4 | -177.5 | 68.2 | 0 | 0 | 0 | 111.6 | A124 F125 H130 A131 Q132 | A124-H128 WeakPolarHBondContact O-CB 3.25Å; A124-H128 PolarHBondContact O-N 3.03Å; F125-H128 PolarHBondContact O-N 2.98Å; H128-H130 PolarHBondContact O-N 3.48Å; H128-A131 PolarHBondContact O-N 3.19Å; H128-Q132 WeakPolarHBondContact O-CB 3.37Å; H128-Q132 PolarHBondContact O-N 3.41Å |
| 129 | H | 85.3 | Confident | 88.1 | Confident | 21 Ų | 21 | 51 Ų | 51 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 178.8 | -73.8 | -63.8 | 0 | 0 | 0 | 112.8 | E68 F125 Q132 A133 F178 | E68-H129 IonicContact OE2-CE1 3.99Å; F125-H129 PolarHBondContact O-CD2 3.08Å; F125-H129 PolarHBondContact O-N 3.5Å; H129-Q132 PolarHBondContact O-N 3.31Å; H129-A133 WeakPolarHBondContact O-CB 3.45Å; H129-A133 PolarHBondContact O-N 2.98Å; H129-F178 HydrophobicContact CB-CD1 4.09Å; H129-F178 HydrophobicContact CB-CD2 4.41Å; H129-F178 HydrophobicContact CB-CE1 3.62Å; H129-F178 HydrophobicContact CB-CE2 3.95Å; H129-F178 HydrophobicContact CB-CG 4.48Å; H129-F178 HydrophobicContact CB-CZ 3.55Å |
| 130 | H | 88.6 | Confident | 87.8 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 21% | 0.213 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 172.9 | 178.4 | -75.4 | 0 | 0 | 0 | 111.3 | A126 G127 H128 Q132 A133 S134 V175 F178 I182 | A126-H130 WeakPolarHBondContact O-CB 3.4Å; A126-H130 PolarHBondContact O-N 3.36Å; G127-H130 PolarHBondContact O-N 3.29Å; H128-H130 PolarHBondContact O-N 3.48Å; H130-Q132 VanDerWaalsContact C-N 3.27Å; H130-Q132 PolarHBondContact O-N 2.97Å; H130-A133 PolarHBondContact O-N 3.35Å; H130-S134 WeakPolarHBondContact O-CB 3.41Å; H130-S134 PolarHBondContact O-N 2.68Å; H130-S134 PolarHBondContact O-OG 3.34Å; H130-S134 VanDerWaalsContact O-OG 3.14Å; H130-V175 PolarHBondContact CD2-O 2.91Å; H130-V175 WeakPolarHBondContact NE2-CG1 3.29Å; H130-F178 HydrophobicContact CB-CB 3.87Å; H130-F178 HydrophobicContact CB-CG 4.49Å; H130-I182 HydrophobicContact CB-CD1 4.41Å |
| 131 | A | 88.1 | Confident | 87.4 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 45% | 0.446 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -35.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G127 H128 S134 S135 | G127-A131 WeakPolarHBondContact O-CB 3.3Å; G127-A131 PolarHBondContact O-N 3.2Å; H128-A131 PolarHBondContact O-N 3.19Å; A131-S134 PolarHBondContact O-OG 2.93Å; A131-S135 PolarHBondContact O-OG 3Å; A131-S135 VanDerWaalsContact O-OG 3.09Å |
| 132 | Q | 84.6 | Confident | 87.1 | Confident | 37 Ų | 37 | 57 Ų | 57 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.6 | -50.8 | 174.3 | -168.9 | -180 | 21.2 | 0 | 0 | 111.3 | H128 H129 H130 S134 S135 F136 L149 F159 | H128-Q132 WeakPolarHBondContact O-CB 3.37Å; H128-Q132 PolarHBondContact O-N 3.41Å; H129-Q132 PolarHBondContact O-N 3.31Å; H130-Q132 VanDerWaalsContact C-N 3.27Å; H130-Q132 PolarHBondContact O-N 2.97Å; Q132-S134 VanDerWaalsContact C-N 3.33Å; Q132-S134 PolarHBondContact O-N 3.04Å; Q132-S135 WeakPolarHBondContact O-CB 3.32Å; Q132-S135 PolarHBondContact O-N 3.2Å; Q132-F136 HydrophobicContact CG-CE1 3.72Å; Q132-F136 HydrophobicContact CG-CZ 3.9Å; Q132-L149 HydrophobicContact CG-CD1 3.91Å; Q132-L149 WeakPolarHBondContact O-CD1 3.33Å; Q132-F159 VanDerWaalsContact NE2-CZ 3.33Å |
| 133 | A | 82.9 | Confident | 86.8 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.6 | -32.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | H129 H130 S135 F136 V175 F178 | H129-A133 WeakPolarHBondContact O-CB 3.45Å; H129-A133 PolarHBondContact O-N 2.98Å; H130-A133 PolarHBondContact O-N 3.35Å; A133-S135 PolarHBondContact O-N 2.92Å; A133-S135 VanDerWaalsContact O-N 3.14Å; A133-F136 HydrophobicContact CB-CD2 4.03Å; A133-F136 HydrophobicContact CB-CE2 3.93Å; A133-F136 PolarHBondContact O-N 3.49Å; A133-V175 HydrophobicContact CB-CG2 3.85Å; A133-F178 HydrophobicContact CB-CE2 4.38Å |
| 134 | S | 85.3 | Confident | 86.3 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.7 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | H130 A131 Q132 | H130-S134 WeakPolarHBondContact O-CB 3.41Å; H130-S134 PolarHBondContact O-N 2.68Å; H130-S134 PolarHBondContact O-OG 3.34Å; H130-S134 VanDerWaalsContact O-OG 3.14Å; A131-S134 PolarHBondContact O-OG 2.93Å; Q132-S134 VanDerWaalsContact C-N 3.33Å; Q132-S134 PolarHBondContact O-N 3.04Å |
| 135 | S | 85.1 | Confident | 86 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 3.3 | -179.4 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | A131 Q132 A133 | A131-S135 PolarHBondContact O-OG 3Å; A131-S135 VanDerWaalsContact O-OG 3.09Å; Q132-S135 WeakPolarHBondContact O-CB 3.32Å; Q132-S135 PolarHBondContact O-N 3.2Å; A133-S135 PolarHBondContact O-N 2.92Å; A133-S135 VanDerWaalsContact O-N 3.14Å |
| 136 | F | 85.1 | Confident | 86 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | trans | -73.4 | 139.4 | -179.3 | -71.2 | -22.2 | 0 | 0 | 0 | 112.8 | Q132 A133 C147 L149 F159 Y161 | Q132-F136 HydrophobicContact CG-CE1 3.72Å; Q132-F136 HydrophobicContact CG-CZ 3.9Å; A133-F136 HydrophobicContact CB-CD2 4.03Å; A133-F136 HydrophobicContact CB-CE2 3.93Å; A133-F136 PolarHBondContact O-N 3.49Å; F136-C147 HydrophobicContact CB-CB 4.21Å; F136-C147 HydrophobicContact CD2-CB 4.17Å; F136-C147 HydrophobicContact CG-CB 4.15Å; F136-L149 HydrophobicContact CD1-CD1 3.93Å; F136-L149 HydrophobicContact CE1-CD1 3.97Å; F136-F159 AromaticContact CE1-CD2 3.86Å; F136-F159 HydrophobicContact CE1-CD2 3.86Å; F136-F159 AromaticContact CE1-CE2 3.88Å; F136-F159 HydrophobicContact CE1-CE2 3.88Å; F136-F159 AromaticContact CZ-CD2 3.87Å; F136-F159 HydrophobicContact CZ-CD2 3.87Å; F136-F159 HydrophobicContact CZ-CE2 4.02Å; F136-F159 HydrophobicContact CZ-CG 4.23Å; F136-F159 HydrophobicContact CZ-CZ 4.5Å; F136-Y161 WeakPolarHBondContact CE2-OH 3.39Å | ||
| 137 | I | 85.3 | Confident | 85.8 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 46% | 0.462 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 109.8 | 164 | -57.6 | 173.2 | 0 | 0 | 0 | 106.2 | C147 V148 | I137-C147 WeakPolarHBondContact O-CA 3.4Å; I137-V148 HydrophobicContact CB-CG2 4.49Å; I137-V148 PolarHBondContact N-O 3.29Å; I137-V148 WeakPolarHBondContact O-CG2 3.5Å; I137-V148 PolarHBondContact O-N 3.2Å |
| 138 | C | 86.4 | Confident | 85.7 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.4 | -177.8 | -57.8 | 0 | 0 | 0 | 0 | 111 | V146 C147 C167 T171 | C138-V146 CarbonylContact C-O 3.51Å; C138-V146 WeakPolarHBondContact CA-O 3.44Å; C138-C147 HydrophobicContact CB-CB 4.09Å; C138-C147 WeakPolarHBondContact CB-SG 3.32Å; C138-C147 WeakPolarHBondContact SG-CB 3.43Å; C138-C147 CovalentContact SG-SG 2.04Å; C138-C147 PolarHBondContact SG-SG 3.42Å; C138-C167 HydrophobicContact CB-CB 3.95Å; C138-T171 HydrophobicContact CB-CG2 4.41Å |
| 139 | Q | 87.3 | Confident | 85.4 | Confident | 118 Ų | 118 | 55 Ų | 55 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.3 | 174.5 | -170.5 | 165.1 | -4.8 | 0 | 0 | 109.3 | V146 | Q139-V146 PolarHBondContact N-O 3.36Å; Q139-V146 PolarHBondContact O-N 2.94Å |
| 140 | Q | 87.6 | Confident | 84.9 | Confident | 95 Ų | 95 | 57.5 Ų | 57.5 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.7 | -179.5 | -168 | 144.6 | 8.2 | 0 | 0 | 111.1 | G142 S165 C167 | Q140-G142 WeakPolarHBondContact CG-O 3.33Å; Q140-G142 PolarHBondContact NE2-O 3.35Å; Q140-S165 VanDerWaalsContact NE2-C 3.35Å; Q140-S165 PolarHBondContact NE2-O 3.42Å; Q140-C167 VanDerWaalsContact CA-SG 3.59Å |
| 141 | E | 84.9 | Confident | 83.8 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 65% | 0.65 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 81.3 | -180 | -164.7 | 165.7 | 179.8 | 0 | 0 | 109 | D144 V146 | E141-D144 CarbonylContact C-O 3.59Å; E141-D144 PolarHBondContact N-O 3.43Å; E141-D144 PolarHBondContact O-N 2.89Å; E141-V146 HydrophobicContact CB-CG2 4.14Å; E141-V146 WeakPolarHBondContact OE2-CG2 3.4Å |
| 142 | G | 84.5 | Confident | 82.8 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -127.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q140 D144 | Q140-G142 WeakPolarHBondContact CG-O 3.33Å; Q140-G142 PolarHBondContact NE2-O 3.35Å; G142-D144 VanDerWaalsContact C-N 3.27Å |
| 143 | D | 82.4 | Confident | 82.3 | Confident | 126 Ų | 126 | 67.7 Ų | 67.7 | 67% | 0.674 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 4.1 | 174.8 | -68.2 | -29.5 | 0 | 0 | 0 | 112.8 | G163 V164 | D143-G163 CarbonylContact O-C 3.46Å; D143-G163 WeakPolarHBondContact O-CA 3.43Å; D143-G163 PolarHBondContact O-N 2.86Å; D143-V164 CarbonylContact O-C 3.6Å; D143-V164 PolarHBondContact O-N 3.35Å |
| 144 | D | 83.1 | Confident | 81.7 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 158.1 | -180 | -64.4 | -17.6 | 0 | 0 | 0 | 110.4 | E141 G142 Y161 K162 G163 | E141-D144 CarbonylContact C-O 3.59Å; E141-D144 PolarHBondContact N-O 3.43Å; E141-D144 PolarHBondContact O-N 2.89Å; G142-D144 VanDerWaalsContact C-N 3.27Å; D144-Y161 WeakPolarHBondContact CA-O 3.4Å; D144-K162 WeakPolarHBondContact OD1-CA 3.5Å; D144-G163 PolarHBondContact OD1-N 2.88Å |
| 145 | C | 85.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.2 | 179.6 | -77.3 | 0 | 0 | 0 | 0 | 110.6 | Y161 V164 C167 | C145-Y161 PolarHBondContact N-O 3.16Å; C145-Y161 WeakPolarHBondContact O-CB 3.4Å; C145-Y161 PolarHBondContact O-N 3.49Å; C145-V164 HydrophobicContact CB-CB 4.47Å; C145-V164 PolarHBondContact SG-O 3.27Å; C145-C167 HydrophobicContact CB-CB 3.92Å; C145-C167 WeakPolarHBondContact CB-SG 3.5Å; C145-C167 WeakPolarHBondContact SG-CA 3.38Å; C145-C167 WeakPolarHBondContact SG-CB 3.25Å; C145-C167 PolarHBondContact SG-N 3.33Å; C145-C167 VanDerWaalsContact SG-N 3.35Å; C145-C167 CovalentContact SG-SG 2.03Å; C145-C167 PolarHBondContact SG-SG 2.85Å |
| 146 | V | 86.9 | Confident | 80.7 | Confident | 26 Ų | 26 | 75.4 Ų | 75.4 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.8 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | C138 Q139 E141 T158 F159 | C138-V146 CarbonylContact C-O 3.51Å; C138-V146 WeakPolarHBondContact CA-O 3.44Å; Q139-V146 PolarHBondContact N-O 3.36Å; Q139-V146 PolarHBondContact O-N 2.94Å; E141-V146 HydrophobicContact CB-CG2 4.14Å; E141-V146 WeakPolarHBondContact OE2-CG2 3.4Å; V146-T158 HydrophobicContact CG1-CG2 3.43Å; V146-T158 VanDerWaalsContact CG1-CG2 3.43Å; V146-F159 WeakPolarHBondContact CA-O 3.29Å |
| 147 | C | 85.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.7 | -178.5 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | F136 I137 C138 F159 Y161 | F136-C147 HydrophobicContact CB-CB 4.21Å; F136-C147 HydrophobicContact CD2-CB 4.17Å; F136-C147 HydrophobicContact CG-CB 4.15Å; I137-C147 WeakPolarHBondContact O-CA 3.4Å; C138-C147 HydrophobicContact CB-CB 4.09Å; C138-C147 WeakPolarHBondContact CB-SG 3.32Å; C138-C147 WeakPolarHBondContact SG-CB 3.43Å; C138-C147 CovalentContact SG-SG 2.04Å; C138-C147 PolarHBondContact SG-SG 3.42Å; C147-F159 HydrophobicContact CB-CB 4.41Å; C147-F159 PolarHBondContact N-O 3.29Å; C147-F159 PolarHBondContact O-N 3.15Å; C147-Y161 HydrophobicContact CB-CD2 4.35Å; C147-Y161 HydrophobicContact CB-CE2 3.98Å |
| 148 | V | 87.1 | Confident | 80.2 | Confident | 30 Ų | 30 | 81 Ų | 81 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.9 | 175.1 | -79.8 | 0 | 0 | 0 | 0 | 110.6 | I137 T158 | I137-V148 HydrophobicContact CB-CG2 4.49Å; I137-V148 PolarHBondContact N-O 3.29Å; I137-V148 WeakPolarHBondContact O-CG2 3.5Å; I137-V148 PolarHBondContact O-N 3.2Å; V148-T158 HydrophobicContact CG1-CG2 3.45Å; V148-T158 VanDerWaalsContact CG1-CG2 3.45Å |
| 149 | L | 80.9 | Confident | 80 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 39% | 0.393 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -77.8 | -34.7 | -179.8 | -168.1 | 68.7 | 0 | 0 | 0 | 112.7 | Q132 F136 | Q132-L149 HydrophobicContact CG-CD1 3.91Å; Q132-L149 WeakPolarHBondContact O-CD1 3.33Å; F136-L149 HydrophobicContact CD1-CD1 3.93Å; F136-L149 HydrophobicContact CE1-CD1 3.97Å |
| 150 | D | 75.4 | Confident | 79.7 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | trans | -146.8 | 122.5 | 173.9 | -171.8 | -6.6 | 0 | 0 | 0 | 108.9 | S152 D153 A156 | D150-S152 PolarHBondContact O-N 2.9Å; D150-S152 VanDerWaalsContact OD1-CB 3.25Å; D150-S152 WeakPolarHBondContact OD1-CB 3.37Å; D150-S152 PolarHBondContact OD1-N 3.44Å; D150-S152 PolarHBondContact OD1-OG 2.88Å; D150-D153 HydrophobicContact CB-CB 4.4Å; D150-A156 WeakPolarHBondContact O-CB 3.33Å | ||
| 151 | R | 64.9 | Low | 79.3 | Confident | 171 Ų | 171 | 74.9 Ų | 74.9 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -16.5 | -179.9 | -149.6 | -178.2 | -165.9 | -178.2 | 6.8 | 112.2 | ||
| 152 | S | 68.9 | Low | 79.2 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 71% | 0.713 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -24 | -179.3 | -26.3 | 0 | 0 | 0 | 0 | 112.5 | D150 P154 | D150-S152 PolarHBondContact O-N 2.9Å; D150-S152 VanDerWaalsContact OD1-CB 3.25Å; D150-S152 WeakPolarHBondContact OD1-CB 3.37Å; D150-S152 PolarHBondContact OD1-N 3.44Å; D150-S152 PolarHBondContact OD1-OG 2.88Å; S152-P154 WeakPolarHBondContact O-CD 3.48Å |
| 153 | D | 74.1 | Confident | 78.7 | Confident | 78 Ų | 78 | 74.4 Ų | 74.4 | 42% | 0.417 | 40% | 0.404 | S | S | . | . | trans | -94 | 112.7 | -177.6 | -178.5 | -0.7 | 0 | 0 | 0 | 109.8 | D150 I155 A156 | D150-D153 HydrophobicContact CB-CB 4.4Å; D153-I155 PolarHBondContact O-N 3.26Å; D153-I155 VanDerWaalsContact O-N 3.1Å; D153-I155 PolarHBondContact OD1-N 3.01Å; D153-A156 HydrophobicContact CB-CB 4.12Å; D153-A156 VanDerWaalsContact O-CB 3.23Å; D153-A156 WeakPolarHBondContact O-CB 3.35Å; D153-A156 PolarHBondContact O-N 3.4Å | ||
| 154 | P | 69.7 | Low | 78.4 | Confident | 129 Ų | 129 | 68.9 Ų | 68.9 | 84% | 0.838 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.4 | -179.5 | 28.2 | -34.4 | 0 | 0 | 0 | 113.7 | S152 | S152-P154 WeakPolarHBondContact O-CD 3.48Š|
| 155 | I | 73.4 | Confident | 78 | Confident | 150 Ų | 150 | 71.1 Ų | 71.1 | 77% | 0.769 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 9.7 | 177.1 | -41.4 | 177.3 | 0 | 0 | 0 | 110.5 | D153 R157 | D153-I155 PolarHBondContact O-N 3.26Å; D153-I155 VanDerWaalsContact O-N 3.1Å; D153-I155 PolarHBondContact OD1-N 3.01Å; I155-R157 PolarHBondContact O-N 3.27Å |
| 156 | A | 74.8 | Confident | 77.9 | Confident | 21 Ų | 21 | 74.6 Ų | 74.6 | 17% | 0.174 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -57 | 134.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D150 D153 T158 | D150-A156 WeakPolarHBondContact O-CB 3.33Å; D153-A156 HydrophobicContact CB-CB 4.12Å; D153-A156 VanDerWaalsContact O-CB 3.23Å; D153-A156 WeakPolarHBondContact O-CB 3.35Å; D153-A156 PolarHBondContact O-N 3.4Å; A156-T158 PolarHBondContact O-N 2.86Å |
| 157 | R | 79.3 | Confident | 77.7 | Confident | 141 Ų | 141 | 73.9 Ų | 73.9 | 53% | 0.532 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 119.7 | 178 | -173.8 | 169.7 | 172.9 | -178 | -12 | 109.9 | E68 I155 F159 | E68-R157 IonicContact OE1-NH2 3.43Å; E68-R157 PolarHBondContact OE1-NH2 3.48Å; I155-R157 PolarHBondContact O-N 3.27Å; R157-F159 HydrophobicContact CB-CE2 4.2Å; R157-F159 HydrophobicContact CG-CE2 3.92Å; R157-F159 HydrophobicContact CG-CZ 3.89Å; R157-F159 WeakPolarHBondContact O-CE2 3.36Å |
| 158 | T | 80.9 | Confident | 77.6 | Confident | 87 Ų | 87 | 80.7 Ų | 80.7 | 53% | 0.534 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 139.3 | 173.9 | -3.9 | 0 | 0 | 0 | 0 | 110.9 | V146 V148 A156 | V146-T158 HydrophobicContact CG1-CG2 3.43Å; V146-T158 VanDerWaalsContact CG1-CG2 3.43Å; V148-T158 HydrophobicContact CG1-CG2 3.45Å; V148-T158 VanDerWaalsContact CG1-CG2 3.45Å; A156-T158 PolarHBondContact O-N 2.86Å |
| 159 | F | 82.3 | Confident | 77.2 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 8% | 0.083 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.5 | 175.2 | -64.4 | -91.7 | 0 | 0 | 0 | 108.8 | Q132 F136 V146 C147 R157 Y161 | Q132-F159 VanDerWaalsContact NE2-CZ 3.33Å; F136-F159 AromaticContact CE1-CD2 3.86Å; F136-F159 HydrophobicContact CE1-CD2 3.86Å; F136-F159 AromaticContact CE1-CE2 3.88Å; F136-F159 HydrophobicContact CE1-CE2 3.88Å; F136-F159 AromaticContact CZ-CD2 3.87Å; F136-F159 HydrophobicContact CZ-CD2 3.87Å; F136-F159 HydrophobicContact CZ-CE2 4.02Å; F136-F159 HydrophobicContact CZ-CG 4.23Å; F136-F159 HydrophobicContact CZ-CZ 4.5Å; V146-F159 WeakPolarHBondContact CA-O 3.29Å; C147-F159 HydrophobicContact CB-CB 4.41Å; C147-F159 PolarHBondContact N-O 3.29Å; C147-F159 PolarHBondContact O-N 3.15Å; R157-F159 HydrophobicContact CB-CE2 4.2Å; R157-F159 HydrophobicContact CG-CE2 3.92Å; R157-F159 HydrophobicContact CG-CZ 3.89Å; R157-F159 WeakPolarHBondContact O-CE2 3.36Å; F159-Y161 HydrophobicContact CB-CD2 4.43Å; F159-Y161 HydrophobicContact CB-CE2 3.71Å |
| 160 | D | 81.4 | Confident | 77.1 | Confident | 84 Ų | 84 | 77.7 Ų | 77.7 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.7 | -174.3 | -159.2 | -14.8 | 0 | 0 | 0 | 109.6 | S63 | S63-D160 WeakPolarHBondContact CB-O 3.42Å; S63-D160 PolarHBondContact OG-O 3.43Å |
| 161 | Y | 80 | Confident | 77.4 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 4% | 0.043 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 105 | -176.2 | -67.3 | -88.2 | 0 | 0 | 0 | 110.4 | S63 L64 F136 D144 C145 C147 F159 I170 L174 | S63-Y161 WeakPolarHBondContact OG-CA 3.19Å; L64-Y161 HydrophobicContact CD2-CE1 3.91Å; L64-Y161 HydrophobicContact CG-CE1 4.16Å; F136-Y161 WeakPolarHBondContact CE2-OH 3.39Å; D144-Y161 WeakPolarHBondContact CA-O 3.4Å; C145-Y161 PolarHBondContact N-O 3.16Å; C145-Y161 WeakPolarHBondContact O-CB 3.4Å; C145-Y161 PolarHBondContact O-N 3.49Å; C147-Y161 HydrophobicContact CB-CD2 4.35Å; C147-Y161 HydrophobicContact CB-CE2 3.98Å; F159-Y161 HydrophobicContact CB-CD2 4.43Å; F159-Y161 HydrophobicContact CB-CE2 3.71Å; Y161-I170 HydrophobicContact CD1-CD1 3.74Å; Y161-I170 HydrophobicContact CD1-CG1 4.44Å; Y161-I170 HydrophobicContact CD2-CG1 4.44Å; Y161-I170 HydrophobicContact CD2-CG2 4.22Å; Y161-I170 HydrophobicContact CE1-CD1 4.22Å; Y161-I170 HydrophobicContact CE1-CG2 4.37Å; Y161-I170 HydrophobicContact CE2-CG2 3.92Å; Y161-I170 HydrophobicContact CG-CD1 3.94Å; Y161-I170 HydrophobicContact CG-CG1 4.19Å; Y161-L174 HydrophobicContact CE1-CD2 4.19Å |
| 162 | K | 81.4 | Confident | 78.3 | Confident | 125 Ų | 125 | 70.5 Ų | 70.5 | 54% | 0.543 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 139.9 | -173.3 | -60.6 | -164.3 | 175.2 | -164.9 | 0 | 113.4 | D144 V164 | D144-K162 WeakPolarHBondContact OD1-CA 3.5Å; K162-V164 VanDerWaalsContact C-N 3.34Å |
| 163 | G | 74.3 | Confident | 79 | Confident | 66 Ų | 66 | 68 Ų | 68 | 68% | 0.68 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 34.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | D143 D144 | D143-G163 CarbonylContact O-C 3.46Å; D143-G163 WeakPolarHBondContact O-CA 3.43Å; D143-G163 PolarHBondContact O-N 2.86Å; D144-G163 PolarHBondContact OD1-N 2.88Å |
| 164 | V | 76 | Confident | 79.4 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.055 | 37% | 0.372 | C | S | . | . | trans | -115.4 | 99.9 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | D143 C145 K162 D166 I170 | D143-V164 CarbonylContact O-C 3.6Å; D143-V164 PolarHBondContact O-N 3.35Å; C145-V164 HydrophobicContact CB-CB 4.47Å; C145-V164 PolarHBondContact SG-O 3.27Å; K162-V164 VanDerWaalsContact C-N 3.34Å; V164-D166 WeakPolarHBondContact CG1-O 3.31Å; V164-D166 PolarHBondContact O-N 2.9Å; V164-I170 HydrophobicContact CG1-CD1 4.1Å; V164-I170 HydrophobicContact CG1-CG1 4.04Å; V164-I170 HydrophobicContact CG2-CD1 4.21Å | ||
| 165 | S | 75.4 | Confident | 80.3 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 66% | 0.664 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -72.4 | -11.4 | -175.9 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | Q140 | Q140-S165 VanDerWaalsContact NE2-C 3.35Å; Q140-S165 PolarHBondContact NE2-O 3.42Å |
| 166 | D | 82.9 | Confident | 81 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | trans | -142.1 | 110.6 | 177.5 | -179.9 | 3.8 | 0 | 0 | 0 | 110.2 | V164 E168 T169 | V164-D166 WeakPolarHBondContact CG1-O 3.31Å; V164-D166 PolarHBondContact O-N 2.9Å; D166-E168 PolarHBondContact O-N 3.22Å; D166-E168 VanDerWaalsContact OD1-CB 3.29Å; D166-E168 WeakPolarHBondContact OD1-CB 3.23Å; D166-E168 PolarHBondContact OD1-N 3.45Å; D166-T169 WeakPolarHBondContact O-CB 3.46Å; D166-T169 PolarHBondContact O-N 3.21Å; D166-T169 PolarHBondContact O-OG1 2.92Å | ||
| 167 | C | 83.3 | Confident | 81.7 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 8% | 0.081 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.4 | -178.1 | -52.4 | 0 | 0 | 0 | 0 | 113.4 | C138 Q140 C145 T169 I170 T171 | C138-C167 HydrophobicContact CB-CB 3.95Å; Q140-C167 VanDerWaalsContact CA-SG 3.59Å; C145-C167 HydrophobicContact CB-CB 3.92Å; C145-C167 WeakPolarHBondContact CB-SG 3.5Å; C145-C167 WeakPolarHBondContact SG-CA 3.38Å; C145-C167 WeakPolarHBondContact SG-CB 3.25Å; C145-C167 PolarHBondContact SG-N 3.33Å; C145-C167 VanDerWaalsContact SG-N 3.35Å; C145-C167 CovalentContact SG-SG 2.03Å; C145-C167 PolarHBondContact SG-SG 2.85Å; C167-T169 PolarHBondContact O-N 3.28Å; C167-I170 WeakPolarHBondContact O-CB 3.41Å; C167-I170 PolarHBondContact O-N 3.44Å; C167-T171 PolarHBondContact O-N 3.01Å |
| 168 | E | 82.8 | Confident | 82.1 | Confident | 142 Ų | 142 | 52.4 Ų | 52.4 | 66% | 0.664 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.1 | -25.3 | 172.1 | -162.7 | 175.9 | 175.9 | 0 | 0 | 111.3 | D166 I170 T171 G172 | D166-E168 PolarHBondContact O-N 3.22Å; D166-E168 VanDerWaalsContact OD1-CB 3.29Å; D166-E168 WeakPolarHBondContact OD1-CB 3.23Å; D166-E168 PolarHBondContact OD1-N 3.45Å; E168-I170 PolarHBondContact O-N 3.36Å; E168-T171 PolarHBondContact O-N 3.19Å; E168-T171 PolarHBondContact O-OG1 3.46Å; E168-G172 PolarHBondContact O-N 2.97Å |
| 169 | T | 79.9 | Confident | 82.6 | Confident | 42 Ų | 42 | 52 Ų | 52 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -62 | -31.6 | 171.9 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | I60 D166 C167 T173 L174 | I60-T169 HydrophobicContact CG2-CG2 4.19Å; D166-T169 WeakPolarHBondContact O-CB 3.46Å; D166-T169 PolarHBondContact O-N 3.21Å; D166-T169 PolarHBondContact O-OG1 2.92Å; C167-T169 PolarHBondContact O-N 3.28Å; T169-T173 WeakPolarHBondContact O-CA 3.45Å; T169-T173 WeakPolarHBondContact O-CB 3.28Å; T169-T173 PolarHBondContact O-N 2.93Å; T169-L174 PolarHBondContact O-N 3.28Å; T169-L174 VanDerWaalsContact O-N 3.09Å |
| 170 | I | 78.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -77.8 | -43.5 | 178.5 | -57.7 | -57.4 | 0 | 0 | 0 | 111.3 | Y161 V164 C167 E168 L174 | Y161-I170 HydrophobicContact CD1-CD1 3.74Å; Y161-I170 HydrophobicContact CD1-CG1 4.44Å; Y161-I170 HydrophobicContact CD2-CG1 4.44Å; Y161-I170 HydrophobicContact CD2-CG2 4.22Å; Y161-I170 HydrophobicContact CE1-CD1 4.22Å; Y161-I170 HydrophobicContact CE1-CG2 4.37Å; Y161-I170 HydrophobicContact CE2-CG2 3.92Å; Y161-I170 HydrophobicContact CG-CD1 3.94Å; Y161-I170 HydrophobicContact CG-CG1 4.19Å; V164-I170 HydrophobicContact CG1-CD1 4.1Å; V164-I170 HydrophobicContact CG1-CG1 4.04Å; V164-I170 HydrophobicContact CG2-CD1 4.21Å; C167-I170 WeakPolarHBondContact O-CB 3.41Å; C167-I170 PolarHBondContact O-N 3.44Å; E168-I170 PolarHBondContact O-N 3.36Å; I170-L174 HydrophobicContact CG2-CD2 4.15Å; I170-L174 VanDerWaalsContact O-CB 3.31Å; I170-L174 WeakPolarHBondContact O-CB 3.25Å |
| 171 | T | 80.3 | Confident | 83.6 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -79.7 | -25.2 | -178 | 53.1 | 0 | 0 | 0 | 0 | 113 | C138 C167 E168 V175 | C138-T171 HydrophobicContact CB-CG2 4.41Å; C167-T171 PolarHBondContact O-N 3.01Å; E168-T171 PolarHBondContact O-N 3.19Å; E168-T171 PolarHBondContact O-OG1 3.46Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å |
| 172 | G | 83.4 | Confident | 84.2 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -98.7 | -70.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | E168 L174 V175 F176 | E168-G172 PolarHBondContact O-N 2.97Å; G172-L174 PolarHBondContact O-N 3.2Å; G172-V175 PolarHBondContact O-N 3.4Å; G172-F176 WeakPolarHBondContact O-CB 3.4Å; G172-F176 PolarHBondContact O-N 3.48Å |
| 173 | T | 85 | Confident | 84.9 | Confident | 49 Ų | 49 | 49.3 Ų | 49.3 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -64.8 | -42.9 | -169 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | T169 F176 Y177 | T169-T173 WeakPolarHBondContact O-CA 3.45Å; T169-T173 WeakPolarHBondContact O-CB 3.28Å; T169-T173 PolarHBondContact O-N 2.93Å; T173-F176 WeakPolarHBondContact O-CB 3.39Å; T173-F176 PolarHBondContact O-N 3.27Å; T173-Y177 HydrophobicContact CG2-CD2 4.16Å; T173-Y177 HydrophobicContact CG2-CE1 4.15Å; T173-Y177 HydrophobicContact CG2-CE2 3.46Å; T173-Y177 VanDerWaalsContact CG2-CE2 3.46Å; T173-Y177 VanDerWaalsContact CG2-CZ 3.46Å; T173-Y177 WeakPolarHBondContact O-CD2 3.33Å; T173-Y177 PolarHBondContact O-N 3.35Å |
| 174 | L | 83.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -66.4 | -41.8 | 179.6 | -175.2 | 66.7 | 0 | 0 | 0 | 112 | M57 L64 Y161 T169 I170 G172 F176 Y177 F178 | M57-L174 HydrophobicContact CE-CD1 3.68Å; L64-L174 HydrophobicContact CD1-CD1 3.71Å; L64-L174 HydrophobicContact CD1-CD2 4.41Å; L64-L174 HydrophobicContact CD2-CD2 4.47Å; Y161-L174 HydrophobicContact CE1-CD2 4.19Å; T169-L174 PolarHBondContact O-N 3.28Å; T169-L174 VanDerWaalsContact O-N 3.09Å; I170-L174 HydrophobicContact CG2-CD2 4.15Å; I170-L174 VanDerWaalsContact O-CB 3.31Å; I170-L174 WeakPolarHBondContact O-CB 3.25Å; G172-L174 PolarHBondContact O-N 3.2Å; L174-F176 VanDerWaalsContact C-N 3.34Å; L174-Y177 PolarHBondContact O-N 3.09Å; L174-F178 HydrophobicContact CD1-CE2 4.12Å; L174-F178 HydrophobicContact CD1-CZ 4.34Å; L174-F178 HydrophobicContact CD2-CE2 4.12Å; L174-F178 HydrophobicContact CG-CD2 4.27Å; L174-F178 HydrophobicContact CG-CE2 3.69Å; L174-F178 HydrophobicContact CG-CZ 4.35Å; L174-F178 VanDerWaalsContact O-CD2 3.23Å; L174-F178 WeakPolarHBondContact O-CD2 3.16Å; L174-F178 PolarHBondContact O-N 3.27Å |
| 175 | V | 86.9 | Confident | 86.6 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | H130 A133 T171 G172 Y177 F178 L179 | H130-V175 PolarHBondContact CD2-O 2.91Å; H130-V175 WeakPolarHBondContact NE2-CG1 3.29Å; A133-V175 HydrophobicContact CB-CG2 3.85Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; G172-V175 PolarHBondContact O-N 3.4Å; V175-Y177 VanDerWaalsContact C-N 3.33Å; V175-Y177 PolarHBondContact O-N 3.36Å; V175-F178 PolarHBondContact O-N 3.03Å; V175-L179 PolarHBondContact O-N 3.15Å; V175-L179 VanDerWaalsContact O-N 3.11Å |
| 176 | F | 89.4 | Confident | 87.6 | Confident | 122 Ų | 122 | 46.2 Ų | 46.2 | 54% | 0.535 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.3 | -43 | 175.3 | 175 | -100.4 | 0 | 0 | 0 | 112.4 | G172 T173 L174 L179 L180 | G172-F176 WeakPolarHBondContact O-CB 3.4Å; G172-F176 PolarHBondContact O-N 3.48Å; T173-F176 WeakPolarHBondContact O-CB 3.39Å; T173-F176 PolarHBondContact O-N 3.27Å; L174-F176 VanDerWaalsContact C-N 3.34Å; F176-L179 WeakPolarHBondContact O-CB 3.45Å; F176-L179 PolarHBondContact O-N 2.72Å; F176-L180 HydrophobicContact CE1-CD2 4.39Å; F176-L180 PolarHBondContact O-N 2.85Å |
| 177 | Y | 88 | Confident | 88.2 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 177.2 | -67.7 | -27.1 | 0 | 0 | 0 | 113.5 | M53 M57 I60 T173 L174 V175 L179 L180 Q181 | M53-Y177 HydrophobicContact CE-CD1 3.48Å; M53-Y177 VanDerWaalsContact CE-CD1 3.48Å; M53-Y177 HydrophobicContact CE-CE1 3.94Å; M53-Y177 HydrophobicContact CE-CG 4.02Å; M57-Y177 HydrophobicContact CG-CD2 3.91Å; M57-Y177 HydrophobicContact CG-CG 4.14Å; I60-Y177 HydrophobicContact CD1-CD2 4.49Å; I60-Y177 HydrophobicContact CD1-CE2 3.34Å; I60-Y177 WeakPolarHBondContact CD1-OH 3.48Å; T173-Y177 HydrophobicContact CG2-CD2 4.16Å; T173-Y177 HydrophobicContact CG2-CE1 4.15Å; T173-Y177 HydrophobicContact CG2-CE2 3.46Å; T173-Y177 VanDerWaalsContact CG2-CE2 3.46Å; T173-Y177 VanDerWaalsContact CG2-CZ 3.46Å; T173-Y177 WeakPolarHBondContact O-CD2 3.33Å; T173-Y177 PolarHBondContact O-N 3.35Å; L174-Y177 PolarHBondContact O-N 3.09Å; V175-Y177 VanDerWaalsContact C-N 3.33Å; V175-Y177 PolarHBondContact O-N 3.36Å; Y177-L179 VanDerWaalsContact C-N 3.28Å; Y177-L179 PolarHBondContact O-N 2.89Å; Y177-L180 PolarHBondContact O-N 3.42Å; Y177-Q181 WeakPolarHBondContact O-CB 3.47Å; Y177-Q181 PolarHBondContact O-N 3.43Å |
| 178 | F | 88.5 | Confident | 88.7 | Confident | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 172.1 | -72.5 | -58.4 | 0 | 0 | 0 | 111.4 | M57 A126 H129 H130 A133 L174 V175 Q181 I182 | M57-F178 HydrophobicContact CE-CD1 3.63Å; M57-F178 HydrophobicContact CE-CD2 4.34Å; M57-F178 HydrophobicContact CE-CE1 3.56Å; M57-F178 HydrophobicContact CE-CE2 4.29Å; M57-F178 HydrophobicContact CE-CG 4.01Å; M57-F178 HydrophobicContact CE-CZ 3.9Å; A126-F178 HydrophobicContact CB-CD1 4.23Å; H129-F178 HydrophobicContact CB-CD1 4.09Å; H129-F178 HydrophobicContact CB-CD2 4.41Å; H129-F178 HydrophobicContact CB-CE1 3.62Å; H129-F178 HydrophobicContact CB-CE2 3.95Å; H129-F178 HydrophobicContact CB-CG 4.48Å; H129-F178 HydrophobicContact CB-CZ 3.55Å; H130-F178 HydrophobicContact CB-CB 3.87Å; H130-F178 HydrophobicContact CB-CG 4.49Å; A133-F178 HydrophobicContact CB-CE2 4.38Å; L174-F178 HydrophobicContact CD1-CE2 4.12Å; L174-F178 HydrophobicContact CD1-CZ 4.34Å; L174-F178 HydrophobicContact CD2-CE2 4.12Å; L174-F178 HydrophobicContact CG-CD2 4.27Å; L174-F178 HydrophobicContact CG-CE2 3.69Å; L174-F178 HydrophobicContact CG-CZ 4.35Å; L174-F178 VanDerWaalsContact O-CD2 3.23Å; L174-F178 WeakPolarHBondContact O-CD2 3.16Å; L174-F178 PolarHBondContact O-N 3.27Å; V175-F178 PolarHBondContact O-N 3.03Å; F178-Q181 WeakPolarHBondContact O-CB 3.43Å; F178-Q181 PolarHBondContact O-N 3.31Å; F178-I182 VanDerWaalsContact O-CG1 3.26Å; F178-I182 WeakPolarHBondContact O-CG1 3.49Å; F178-I182 PolarHBondContact O-N 3.01Å |
| 179 | L | 92.4 | Very high | 89.3 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 41% | 0.414 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 177.9 | -154.8 | 157.2 | 0 | 0 | 0 | 111.3 | V175 F176 Y177 Q181 I182 L183 | V175-L179 PolarHBondContact O-N 3.15Å; V175-L179 VanDerWaalsContact O-N 3.11Å; F176-L179 WeakPolarHBondContact O-CB 3.45Å; F176-L179 PolarHBondContact O-N 2.72Å; Y177-L179 VanDerWaalsContact C-N 3.28Å; Y177-L179 PolarHBondContact O-N 2.89Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.45Å; L179-I182 WeakPolarHBondContact O-CB 3.36Å; L179-I182 PolarHBondContact O-N 3.35Å; L179-L183 HydrophobicContact CD2-CD1 3.73Å; L179-L183 HydrophobicContact CD2-CG 4.13Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 3.36Å |
| 180 | L | 92.3 | Very high | 90.1 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 27% | 0.272 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.2 | -173.1 | 57.2 | 0 | 0 | 0 | 111.8 | M53 F176 Y177 I182 L183 L184 | M53-L180 HydrophobicContact CE-CD2 3.65Å; M53-L180 HydrophobicContact CE-CG 4.45Å; M53-L180 HydrophobicContact CG-CD2 4.27Å; M53-L180 HydrophobicContact SD-CD2 3.62Å; F176-L180 HydrophobicContact CE1-CD2 4.39Å; F176-L180 PolarHBondContact O-N 2.85Å; Y177-L180 PolarHBondContact O-N 3.42Å; L180-I182 PolarHBondContact O-N 2.86Å; L180-L183 PolarHBondContact O-N 2.92Å; L180-L184 HydrophobicContact CD1-CD1 4.33Å; L180-L184 HydrophobicContact CD1-CG 4.29Å; L180-L184 HydrophobicContact CG-CD1 4.03Å; L180-L184 HydrophobicContact CG-CG 4.43Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.85Å |
| 181 | Q | 90.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 177 | -161.4 | 68.7 | 1.3 | 0 | 0 | 112 | M53 P70 V122 A126 Y177 F178 L179 N185 | M53-Q181 VanDerWaalsContact CB-OE1 3.23Å; P70-Q181 HydrophobicContact CG-CG 4.13Å; V122-Q181 HydrophobicContact CG1-CG 3.94Å; A126-Q181 HydrophobicContact CB-CB 4.46Å; Y177-Q181 WeakPolarHBondContact O-CB 3.47Å; Y177-Q181 PolarHBondContact O-N 3.43Å; F178-Q181 WeakPolarHBondContact O-CB 3.43Å; F178-Q181 PolarHBondContact O-N 3.31Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.45Å; Q181-N185 PolarHBondContact NE2-ND2 3.42Å; Q181-N185 WeakPolarHBondContact O-CB 3.27Å; Q181-N185 PolarHBondContact O-N 3.19Å; Q181-N185 PolarHBondContact O-ND2 3.08Å |
| 182 | I | 92.7 | Very high | 91.3 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -51.2 | 173.6 | -69.7 | 162.6 | 0 | 0 | 0 | 109.8 | V123 A126 H130 F178 L179 L180 N185 L186 | V123-I182 HydrophobicContact CG1-CG2 4.3Å; A126-I182 HydrophobicContact CB-CD1 4.36Å; A126-I182 HydrophobicContact CB-CG1 3.7Å; H130-I182 HydrophobicContact CB-CD1 4.41Å; F178-I182 VanDerWaalsContact O-CG1 3.26Å; F178-I182 WeakPolarHBondContact O-CG1 3.49Å; F178-I182 PolarHBondContact O-N 3.01Å; L179-I182 WeakPolarHBondContact O-CB 3.36Å; L179-I182 PolarHBondContact O-N 3.35Å; L180-I182 PolarHBondContact O-N 2.86Å; I182-N185 PolarHBondContact O-N 2.9Å; I182-L186 HydrophobicContact CG2-CD1 3.87Å; I182-L186 HydrophobicContact CG2-CG 4.4Å; I182-L186 WeakPolarHBondContact O-CB 3.29Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.26Å; I182-L186 PolarHBondContact O-N 3.46Å |
| 183 | L | 95.8 | Very high | 91.8 | Very high | 98 Ų | 98 | 39.9 Ų | 39.9 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.6 | -46.4 | -178 | -67 | 176.6 | 0 | 0 | 0 | 112.5 | L179 L180 N185 L186 A187 | L179-L183 HydrophobicContact CD2-CD1 3.73Å; L179-L183 HydrophobicContact CD2-CG 4.13Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 3.36Å; L180-L183 PolarHBondContact O-N 2.92Å; L183-N185 PolarHBondContact O-N 3.38Å; L183-L186 PolarHBondContact O-N 2.81Å; L183-A187 PolarHBondContact O-N 3.38Å |
| 184 | L | 94.1 | Very high | 92.1 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 179 | -71.5 | 172.6 | 0 | 0 | 0 | 111.9 | L46 A49 V50 M53 L180 A187 Q188 | L46-L184 HydrophobicContact CD2-CD2 4.22Å; A49-L184 HydrophobicContact CB-CD1 4.44Å; A49-L184 HydrophobicContact CB-CD2 4.34Å; V50-L184 HydrophobicContact CG2-CB 3.73Å; M53-L184 HydrophobicContact CG-CD1 3.71Å; L180-L184 HydrophobicContact CD1-CD1 4.33Å; L180-L184 HydrophobicContact CD1-CG 4.29Å; L180-L184 HydrophobicContact CG-CD1 4.03Å; L180-L184 HydrophobicContact CG-CG 4.43Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.85Å; L184-A187 PolarHBondContact O-N 3.2Å; L184-Q188 WeakPolarHBondContact O-CB 3.38Å; L184-Q188 PolarHBondContact O-N 3.4Å |
| 185 | N | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.1 | -31.5 | 178.9 | -78.2 | -86.4 | 0 | 0 | 0 | 112.6 | L77 S119 V122 V123 Q181 I182 L183 Q188 A189 | L77-N185 WeakPolarHBondContact CD1-OD1 3.31Å; S119-N185 WeakPolarHBondContact CB-O 3.46Å; V122-N185 HydrophobicContact CB-CB 4.4Å; V122-N185 HydrophobicContact CG1-CB 4.27Å; V122-N185 WeakPolarHBondContact CG1-ND2 3.5Å; V123-N185 HydrophobicContact CG2-CB 3.71Å; Q181-N185 PolarHBondContact NE2-ND2 3.42Å; Q181-N185 WeakPolarHBondContact O-CB 3.27Å; Q181-N185 PolarHBondContact O-N 3.19Å; Q181-N185 PolarHBondContact O-ND2 3.08Å; I182-N185 PolarHBondContact O-N 2.9Å; L183-N185 PolarHBondContact O-N 3.38Å; N185-Q188 PolarHBondContact O-N 2.83Å; N185-A189 WeakPolarHBondContact O-CB 3.33Å; N185-A189 PolarHBondContact O-N 2.93Å |
| 186 | L | 96 | Very high | 92.5 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 39% | 0.387 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 169.7 | -76.8 | 174.1 | 0 | 0 | 0 | 111.3 | V123 I182 L183 Q188 A189 L190 | V123-L186 HydrophobicContact CG1-CD2 4.18Å; V123-L186 HydrophobicContact CG1-CG 4.39Å; V123-L186 HydrophobicContact CG2-CD2 4.01Å; V123-L186 HydrophobicContact CG2-CG 3.86Å; I182-L186 HydrophobicContact CG2-CD1 3.87Å; I182-L186 HydrophobicContact CG2-CG 4.4Å; I182-L186 WeakPolarHBondContact O-CB 3.29Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.26Å; I182-L186 PolarHBondContact O-N 3.46Å; L183-L186 PolarHBondContact O-N 2.81Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.43Å; L186-A189 WeakPolarHBondContact O-CB 3.31Å; L186-A189 PolarHBondContact O-N 3.43Å; L186-L190 WeakPolarHBondContact O-CG 3.39Å; L186-L190 PolarHBondContact O-N 3.48Å |
| 187 | A | 95.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L46 L183 L184 A189 L190 V191 | L46-A187 HydrophobicContact CD1-CB 4.14Å; L46-A187 HydrophobicContact CD2-CB 4.11Å; L183-A187 PolarHBondContact O-N 3.38Å; L184-A187 PolarHBondContact O-N 3.2Å; A187-A189 PolarHBondContact O-N 3.5Å; A187-L190 PolarHBondContact O-N 3.22Å; A187-V191 WeakPolarHBondContact O-CG2 3.35Å; A187-V191 PolarHBondContact O-N 2.65Å |
| 188 | Q | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 177.1 | -175.6 | 67.3 | -12.6 | 0 | 0 | 112.2 | Q43 L46 S81 S119 L184 N185 L186 L190 V191 C192 | Q43-Q188 PolarHBondContact O-NE2 3.19Å; L46-Q188 HydrophobicContact CB-CB 4.39Å; S81-Q188 PolarHBondContact OG-NE2 3.02Å; S119-Q188 WeakPolarHBondContact OG-CG 3.25Å; L184-Q188 WeakPolarHBondContact O-CB 3.38Å; L184-Q188 PolarHBondContact O-N 3.4Å; N185-Q188 PolarHBondContact O-N 2.83Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.43Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 2.88Å; Q188-V191 PolarHBondContact O-N 2.87Å; Q188-C192 VanDerWaalsContact O-CB 3.29Å; Q188-C192 WeakPolarHBondContact O-CB 3.5Å; Q188-C192 PolarHBondContact O-N 3.39Å; Q188-C192 PolarHBondContact O-SG 2.88Å |
| 189 | A | 95.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 5% | 0.05 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L116 L120 N185 L186 A187 V191 C192 A193 | L116-A189 HydrophobicContact CD1-CB 3.74Å; L116-A189 WeakPolarHBondContact CD1-O 3.25Å; L120-A189 HydrophobicContact CD2-CB 4.31Å; N185-A189 WeakPolarHBondContact O-CB 3.33Å; N185-A189 PolarHBondContact O-N 2.93Å; L186-A189 WeakPolarHBondContact O-CB 3.31Å; L186-A189 PolarHBondContact O-N 3.43Å; A187-A189 PolarHBondContact O-N 3.5Å; A189-V191 PolarHBondContact O-N 2.95Å; A189-C192 PolarHBondContact O-N 3.36Å; A189-A193 VanDerWaalsContact O-CB 3.32Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 3.49Å |
| 190 | L | 95.8 | Very high | 91.3 | Very high | 129 Ų | 129 | 41.2 Ų | 41.2 | 68% | 0.675 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.3 | -43.8 | 177.1 | -68.3 | 173.1 | 0 | 0 | 0 | 112.2 | L186 A187 Q188 A193 A194 | L186-L190 WeakPolarHBondContact O-CG 3.39Å; L186-L190 PolarHBondContact O-N 3.48Å; A187-L190 PolarHBondContact O-N 3.22Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 2.88Å; L190-A193 PolarHBondContact O-N 3.49Å; L190-A194 WeakPolarHBondContact O-CB 3.4Å; L190-A194 PolarHBondContact O-N 3.28Å |
| 191 | V | 93.3 | Very high | 90.7 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 13% | 0.127 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 178.2 | 178.6 | 0 | 0 | 0 | 0 | 111 | V39 L42 Q43 L46 A187 Q188 A189 A194 G195 | V39-V191 HydrophobicContact CG1-CG1 3.92Å; L42-V191 HydrophobicContact CB-CG1 3.9Å; L42-V191 HydrophobicContact CB-CG2 4.21Å; L42-V191 HydrophobicContact CD1-CG2 4.5Å; Q43-V191 HydrophobicContact CB-CG1 4.49Å; Q43-V191 HydrophobicContact CG-CB 4.46Å; Q43-V191 HydrophobicContact CG-CG1 3.5Å; Q43-V191 VanDerWaalsContact CG-CG1 3.5Å; L46-V191 HydrophobicContact CD1-CB 4.46Å; L46-V191 HydrophobicContact CD1-CG2 3.83Å; A187-V191 WeakPolarHBondContact O-CG2 3.35Å; A187-V191 PolarHBondContact O-N 2.65Å; Q188-V191 PolarHBondContact O-N 2.87Å; A189-V191 PolarHBondContact O-N 2.95Å; V191-A194 WeakPolarHBondContact O-CB 3.48Å; V191-A194 PolarHBondContact O-N 3.36Å; V191-G195 PolarHBondContact O-N 3Å |
| 192 | C | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 174.5 | -75.6 | 0 | 0 | 0 | 0 | 112.4 | Q43 C112 L116 Q188 A189 G195 A196 | Q43-C192 PolarHBondContact NE2-SG 3.11Å; Q43-C192 VanDerWaalsContact NE2-SG 3.4Å; C112-C192 WeakPolarHBondContact O-CB 3.49Å; L116-C192 HydrophobicContact CB-CB 4Å; Q188-C192 VanDerWaalsContact O-CB 3.29Å; Q188-C192 WeakPolarHBondContact O-CB 3.5Å; Q188-C192 PolarHBondContact O-N 3.39Å; Q188-C192 PolarHBondContact O-SG 2.88Å; A189-C192 PolarHBondContact O-N 3.36Å; C192-G195 PolarHBondContact O-N 3.48Å; C192-A196 WeakPolarHBondContact O-CB 3.31Å; C192-A196 PolarHBondContact O-N 3.3Å |
| 193 | A | 93.5 | Very high | 88.4 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 31% | 0.314 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L116 A189 L190 A196 F197 | L116-A193 HydrophobicContact CD1-CB 4.38Å; L116-A193 HydrophobicContact CD2-CB 4.39Å; A189-A193 VanDerWaalsContact O-CB 3.32Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 3.49Å; L190-A193 PolarHBondContact O-N 3.49Å; A193-A196 PolarHBondContact O-N 3.04Å; A193-F197 VanDerWaalsContact O-CB 3.29Å; A193-F197 WeakPolarHBondContact O-CB 3.35Å; A193-F197 PolarHBondContact O-N 3.26Å |
| 194 | A | 91.2 | Very high | 86.5 | Confident | 34 Ų | 34 | 48 Ų | 48 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L190 V191 F197 I198 | L190-A194 WeakPolarHBondContact O-CB 3.4Å; L190-A194 PolarHBondContact O-N 3.28Å; V191-A194 WeakPolarHBondContact O-CB 3.48Å; V191-A194 PolarHBondContact O-N 3.36Å; A194-F197 PolarHBondContact O-N 2.95Å; A194-I198 WeakPolarHBondContact O-CD1 3.47Å; A194-I198 WeakPolarHBondContact O-CG1 3.45Å; A194-I198 PolarHBondContact O-N 2.97Å |
| 195 | G | 88.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V191 C192 F197 I198 M199 | V191-G195 PolarHBondContact O-N 3Å; C192-G195 PolarHBondContact O-N 3.48Å; G195-F197 PolarHBondContact O-N 3.41Å; G195-I198 PolarHBondContact O-N 3.23Å; G195-M199 WeakPolarHBondContact O-CG 3.46Å; G195-M199 PolarHBondContact O-N 2.97Å; G195-M199 VanDerWaalsContact O-N 3.08Å |
| 196 | A | 89.3 | Confident | 82.4 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F109 C112 C192 A193 M199 W200 | F109-A196 HydrophobicContact CD2-CB 4.19Å; F109-A196 HydrophobicContact CE2-CB 4.07Å; C112-A196 HydrophobicContact CB-CB 4.02Å; C192-A196 WeakPolarHBondContact O-CB 3.31Å; C192-A196 PolarHBondContact O-N 3.3Å; A193-A196 PolarHBondContact O-N 3.04Å; A196-M199 PolarHBondContact O-N 3.35Å; A196-W200 VanDerWaalsContact O-CB 3.25Å; A196-W200 WeakPolarHBondContact O-CB 3.25Å; A196-W200 PolarHBondContact O-N 3.31Å |
| 197 | F | 88.7 | Confident | 79.9 | Confident | 132 Ų | 132 | 60.1 Ų | 60.1 | 58% | 0.579 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 177.6 | 178.9 | -99.4 | 0 | 0 | 0 | 112.6 | A193 A194 G195 W200 K201 | A193-F197 VanDerWaalsContact O-CB 3.29Å; A193-F197 WeakPolarHBondContact O-CB 3.35Å; A193-F197 PolarHBondContact O-N 3.26Å; A194-F197 PolarHBondContact O-N 2.95Å; G195-F197 PolarHBondContact O-N 3.41Å; F197-W200 PolarHBondContact O-N 3.02Å; F197-K201 HydrophobicContact CE1-CD 4.49Å; F197-K201 VanDerWaalsContact O-CB 3.25Å; F197-K201 WeakPolarHBondContact O-CB 3.43Å; F197-K201 PolarHBondContact O-N 3.37Å |
| 198 | I | 83.8 | Confident | 77.4 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 177 | -64.3 | 156 | 0 | 0 | 0 | 109.9 | F35 V39 A194 G195 K201 D202 | F35-I198 HydrophobicContact CD1-CD1 3.46Å; F35-I198 VanDerWaalsContact CD1-CD1 3.46Å; F35-I198 HydrophobicContact CD1-CG1 3.95Å; F35-I198 HydrophobicContact CE1-CD1 3.21Å; F35-I198 HydrophobicContact CE1-CG1 3.58Å; F35-I198 HydrophobicContact CZ-CD1 4.2Å; V39-I198 HydrophobicContact CG2-CD1 3.82Å; A194-I198 WeakPolarHBondContact O-CD1 3.47Å; A194-I198 WeakPolarHBondContact O-CG1 3.45Å; A194-I198 PolarHBondContact O-N 2.97Å; G195-I198 PolarHBondContact O-N 3.23Å; I198-K201 PolarHBondContact O-N 2.87Å; I198-D202 WeakPolarHBondContact O-CB 3.49Å; I198-D202 PolarHBondContact O-N 2.99Å |
| 199 | M | 80.3 | Confident | 74.9 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 178.4 | -68.1 | -56.2 | 111.8 | 0 | 0 | 112 | K105 Y108 F109 G195 A196 R203 | K105-M199 HydrophobicContact CB-SD 4.48Å; K105-M199 HydrophobicContact CG-SD 4.31Å; Y108-M199 HydrophobicContact CD1-CE 4.17Å; Y108-M199 HydrophobicContact CD1-CG 3.65Å; Y108-M199 HydrophobicContact CD1-SD 3.83Å; Y108-M199 HydrophobicContact CE1-CE 4.26Å; Y108-M199 HydrophobicContact CE1-CG 4.2Å; Y108-M199 HydrophobicContact CE1-SD 4.49Å; F109-M199 HydrophobicContact CB-CB 4.16Å; F109-M199 HydrophobicContact CD2-CB 4.12Å; G195-M199 WeakPolarHBondContact O-CG 3.46Å; G195-M199 PolarHBondContact O-N 2.97Å; G195-M199 VanDerWaalsContact O-N 3.08Å; A196-M199 PolarHBondContact O-N 3.35Å; M199-R203 PolarHBondContact O-N 3.08Å |
| 200 | W | 81.3 | Confident | 72.6 | Confident | 118 Ų | 118 | 72.1 Ų | 72.1 | 45% | 0.447 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.8 | -53 | 173.9 | 177.6 | -92.4 | 0 | 0 | 0 | 111.1 | F109 A196 F197 D202 R203 Y204 | F109-W200 HydrophobicContact CE2-CB 4.3Å; F109-W200 HydrophobicContact CE2-CE3 4.31Å; F109-W200 HydrophobicContact CZ-CE3 4.29Å; A196-W200 VanDerWaalsContact O-CB 3.25Å; A196-W200 WeakPolarHBondContact O-CB 3.25Å; A196-W200 PolarHBondContact O-N 3.31Å; F197-W200 PolarHBondContact O-N 3.02Å; W200-D202 VanDerWaalsContact C-N 3.32Å; W200-D202 PolarHBondContact O-N 3.24Å; W200-R203 WeakPolarHBondContact O-CB 3.45Å; W200-R203 PolarHBondContact O-N 3.37Å; W200-R203 VanDerWaalsContact O-N 3.08Å; W200-Y204 AromaticContact CD1-CD2 3.81Å; W200-Y204 AromaticContact CD2-CD2 3.57Å; W200-Y204 HydrophobicContact CD2-CD2 3.57Å; W200-Y204 AromaticContact CD2-CE2 3.28Å; W200-Y204 HydrophobicContact CD2-CE2 3.28Å; W200-Y204 AromaticContact CE2-CD2 3.29Å; W200-Y204 AromaticContact CE2-CE2 3.06Å; W200-Y204 AromaticContact CE2-CZ 3.86Å; W200-Y204 HydrophobicContact CE3-CD2 4.18Å; W200-Y204 AromaticContact CE3-CE2 3.43Å; W200-Y204 HydrophobicContact CE3-CE2 3.43Å; W200-Y204 VanDerWaalsContact CE3-CE2 3.43Å; W200-Y204 AromaticContact CG-CD2 3.91Å; W200-Y204 HydrophobicContact CG-CD2 3.91Å; W200-Y204 HydrophobicContact CG-CE2 4.09Å; W200-Y204 HydrophobicContact CH2-CD2 4.27Å; W200-Y204 HydrophobicContact CH2-CE1 4.48Å; W200-Y204 AromaticContact CH2-CE2 3.23Å; W200-Y204 HydrophobicContact CH2-CE2 3.23Å; W200-Y204 AromaticContact CH2-CZ 3.31Å; W200-Y204 WeakPolarHBondContact CH2-OH 3.3Å; W200-Y204 AromaticContact CZ2-CD2 3.69Å; W200-Y204 HydrophobicContact CZ2-CD2 3.69Å; W200-Y204 HydrophobicContact CZ2-CE1 4.24Å; W200-Y204 AromaticContact CZ2-CE2 3.06Å; W200-Y204 HydrophobicContact CZ2-CE2 3.06Å; W200-Y204 AromaticContact CZ2-CZ 3.33Å; W200-Y204 WeakPolarHBondContact CZ2-OH 3.27Å; W200-Y204 HydrophobicContact CZ3-CD2 4.48Å; W200-Y204 AromaticContact CZ3-CE2 3.4Å; W200-Y204 HydrophobicContact CZ3-CE2 3.4Å; W200-Y204 VanDerWaalsContact CZ3-CE2 3.4Å; W200-Y204 AromaticContact CZ3-CZ 3.82Å; W200-Y204 WeakPolarHBondContact CZ3-OH 3.38Å; W200-Y204 AromaticContact NE1-CD2 3.42Å; W200-Y204 AromaticContact NE1-CE2 3.74Å; W200-Y204 VanDerWaalsContact O-CD2 3.27Å; W200-Y204 WeakPolarHBondContact O-CD2 3.47Å; W200-Y204 PolarHBondContact O-N 2.96Å |
| 201 | K | 79.1 | Confident | 70.3 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.2 | -44.8 | -179.6 | -173.3 | -164 | 63.6 | 53.6 | 0 | 111.7 | F197 I198 R203 Y204 Q205 | F197-K201 HydrophobicContact CE1-CD 4.49Å; F197-K201 VanDerWaalsContact O-CB 3.25Å; F197-K201 WeakPolarHBondContact O-CB 3.43Å; F197-K201 PolarHBondContact O-N 3.37Å; I198-K201 PolarHBondContact O-N 2.87Å; K201-R203 PolarHBondContact O-N 3.37Å; K201-Y204 PolarHBondContact O-N 3.1Å; K201-Q205 HydrophobicContact CG-CG 4.25Å; K201-Q205 WeakPolarHBondContact O-CB 3.38Å; K201-Q205 WeakPolarHBondContact O-CG 3.34Å; K201-Q205 PolarHBondContact O-N 3.41Å |
| 202 | D | 69.1 | Low | 68.1 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.4 | -36.8 | 177.8 | -165.4 | 60.1 | 0 | 0 | 0 | 111.9 | K105 I198 W200 V206 | K105-D202 WeakPolarHBondContact CE-OD2 2.95Å; K105-D202 IonicContact NZ-OD2 2.65Å; K105-D202 PolarHBondContact NZ-OD2 3.06Å; I198-D202 WeakPolarHBondContact O-CB 3.49Å; I198-D202 PolarHBondContact O-N 2.99Å; W200-D202 VanDerWaalsContact C-N 3.32Å; W200-D202 PolarHBondContact O-N 3.24Å; D202-V206 VanDerWaalsContact O-CG2 3.25Å; D202-V206 WeakPolarHBondContact O-CG2 3.47Å |
| 203 | R | 66 | Low | 65.7 | Low | 110 Ų | 110 | 86.8 Ų | 86.8 | 42% | 0.415 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.2 | -53.9 | 173 | -172.8 | 179.9 | -179.5 | 178.1 | -1.1 | 112.3 | M199 W200 K201 Q205 V206 F207 | M199-R203 PolarHBondContact O-N 3.08Å; W200-R203 WeakPolarHBondContact O-CB 3.45Å; W200-R203 PolarHBondContact O-N 3.37Å; W200-R203 VanDerWaalsContact O-N 3.08Å; K201-R203 PolarHBondContact O-N 3.37Å; R203-Q205 PolarHBondContact O-N 2.92Å; R203-V206 PolarHBondContact O-N 2.68Å; R203-F207 HydrophobicContact CG-CD2 3.58Å; R203-F207 HydrophobicContact CG-CE2 3.81Å; R203-F207 VanDerWaalsContact O-CD2 3.3Å; R203-F207 WeakPolarHBondContact O-CD2 3.39Å; R203-F207 PolarHBondContact O-N 3.3Å |
| 204 | Y | 55.6 | Low | 63.2 | Low | 81 Ų | 81 | 96 Ų | 96 | 32% | 0.318 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.3 | -25.8 | -172.5 | -74.4 | -80.9 | 0 | 0 | 0 | 114.1 | W200 K201 F208 | W200-Y204 AromaticContact CD1-CD2 3.81Å; W200-Y204 AromaticContact CD2-CD2 3.57Å; W200-Y204 HydrophobicContact CD2-CD2 3.57Å; W200-Y204 AromaticContact CD2-CE2 3.28Å; W200-Y204 HydrophobicContact CD2-CE2 3.28Å; W200-Y204 AromaticContact CE2-CD2 3.29Å; W200-Y204 AromaticContact CE2-CE2 3.06Å; W200-Y204 AromaticContact CE2-CZ 3.86Å; W200-Y204 HydrophobicContact CE3-CD2 4.18Å; W200-Y204 AromaticContact CE3-CE2 3.43Å; W200-Y204 HydrophobicContact CE3-CE2 3.43Å; W200-Y204 VanDerWaalsContact CE3-CE2 3.43Å; W200-Y204 AromaticContact CG-CD2 3.91Å; W200-Y204 HydrophobicContact CG-CD2 3.91Å; W200-Y204 HydrophobicContact CG-CE2 4.09Å; W200-Y204 HydrophobicContact CH2-CD2 4.27Å; W200-Y204 HydrophobicContact CH2-CE1 4.48Å; W200-Y204 AromaticContact CH2-CE2 3.23Å; W200-Y204 HydrophobicContact CH2-CE2 3.23Å; W200-Y204 AromaticContact CH2-CZ 3.31Å; W200-Y204 WeakPolarHBondContact CH2-OH 3.3Å; W200-Y204 AromaticContact CZ2-CD2 3.69Å; W200-Y204 HydrophobicContact CZ2-CD2 3.69Å; W200-Y204 HydrophobicContact CZ2-CE1 4.24Å; W200-Y204 AromaticContact CZ2-CE2 3.06Å; W200-Y204 HydrophobicContact CZ2-CE2 3.06Å; W200-Y204 AromaticContact CZ2-CZ 3.33Å; W200-Y204 WeakPolarHBondContact CZ2-OH 3.27Å; W200-Y204 HydrophobicContact CZ3-CD2 4.48Å; W200-Y204 AromaticContact CZ3-CE2 3.4Å; W200-Y204 HydrophobicContact CZ3-CE2 3.4Å; W200-Y204 VanDerWaalsContact CZ3-CE2 3.4Å; W200-Y204 AromaticContact CZ3-CZ 3.82Å; W200-Y204 WeakPolarHBondContact CZ3-OH 3.38Å; W200-Y204 AromaticContact NE1-CD2 3.42Å; W200-Y204 AromaticContact NE1-CE2 3.74Å; W200-Y204 VanDerWaalsContact O-CD2 3.27Å; W200-Y204 WeakPolarHBondContact O-CD2 3.47Å; W200-Y204 PolarHBondContact O-N 2.96Å; K201-Y204 PolarHBondContact O-N 3.1Å; Y204-F208 HydrophobicContact CD1-CD2 4.07Å; Y204-F208 AromaticContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CE1-CE2 4.42Å; Y204-F208 WeakPolarHBondContact O-CB 3.39Å; Y204-F208 WeakPolarHBondContact O-CD2 3.27Å; Y204-F208 PolarHBondContact O-N 3.01Å |
| 205 | Q | 52.3 | Low | 60.5 | Low | 125 Ų | 125 | 97.8 Ų | 97.8 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.7 | -34.8 | 171.7 | -73.3 | -170.1 | -58.7 | 0 | 0 | 112.5 | K201 R203 | K201-Q205 HydrophobicContact CG-CG 4.25Å; K201-Q205 WeakPolarHBondContact O-CB 3.38Å; K201-Q205 WeakPolarHBondContact O-CG 3.34Å; K201-Q205 PolarHBondContact O-N 3.41Å; R203-Q205 PolarHBondContact O-N 2.92Å |
| 206 | V | 49.2 | Very low | 58.6 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 61% | 0.606 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -83.9 | -33 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | D202 R203 | D202-V206 VanDerWaalsContact O-CG2 3.25Å; D202-V206 WeakPolarHBondContact O-CG2 3.47Å; R203-V206 PolarHBondContact O-N 2.68Å |
| 207 | F | 44.3 | Very low | 56.8 | Low | 136 Ų | 136 | 107.1 Ų | 107.1 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -79.9 | -28.8 | 179.4 | -85.1 | -85 | 0 | 0 | 0 | 114.3 | R203 | R203-F207 HydrophobicContact CG-CD2 3.58Å; R203-F207 HydrophobicContact CG-CE2 3.81Å; R203-F207 VanDerWaalsContact O-CD2 3.3Å; R203-F207 WeakPolarHBondContact O-CD2 3.39Å; R203-F207 PolarHBondContact O-N 3.3Å |
| 208 | F | 43.6 | Very low | 54.6 | Low | 177 Ų | 177 | 106.9 Ų | 106.9 | 78% | 0.776 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -83 | -12.8 | 172.6 | -81.5 | -72.5 | 0 | 0 | 0 | 113.7 | Y204 G210 | Y204-F208 HydrophobicContact CD1-CD2 4.07Å; Y204-F208 AromaticContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CE1-CE2 4.42Å; Y204-F208 WeakPolarHBondContact O-CB 3.39Å; Y204-F208 WeakPolarHBondContact O-CD2 3.27Å; Y204-F208 PolarHBondContact O-N 3.01Å; F208-G210 PolarHBondContact O-N 3.21Å |
| 209 | A | 41.6 | Very low | 52.8 | Low | 59 Ų | 59 | 114.8 Ų | 114.8 | 49% | 0.488 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -80.6 | 57 | 163 | 0 | 0 | 0 | 0 | 0 | 110.1 | T211 | A209-T211 PolarHBondContact O-N 3.42Š|
| 210 | G | 46.1 | Very low | 50.7 | Low | 59 Ų | 59 | 120.5 Ų | 120.5 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | trans | -62.4 | 58.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F208 | F208-G210 PolarHBondContact O-N 3.21Š| ||
| 211 | T | 47.1 | Very low | 48.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 64% | 0.636 | S | S | * | * | trans | -138.6 | 51.8 | 173.6 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | A209 | A209-T211 PolarHBondContact O-N 3.42Š| ||
| 212 | Q | 47.8 | Very low | 46.6 | Very low | 195 Ų | 195 | 130 Ų | 130 | 91% | 0.911 | 66% | 0.659 | S | S | * | * | trans | -109.2 | 60.6 | 137.2 | -73.7 | -144 | 7.1 | 0 | 0 | 108.8 | R214 | Q212-R214 PolarHBondContact O-N 2.95Š| ||
| 213 | I | 40.7 | Very low | 45 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | trans | -62.6 | 97 | 149 | -60 | 169.1 | 0 | 0 | 0 | 104.4 | S215 | I213-S215 VanDerWaalsContact C-N 3.34Å; I213-S215 PolarHBondContact O-N 2.93Å | ||
| 214 | R | 41.1 | Very low | 43.5 | Very low | 231 Ų | 231 | 141.7 Ų | 141.7 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | trans | -58 | 104.8 | 163.2 | -173.8 | 178.8 | -163.6 | 165.9 | 4 | 105.9 | Q212 P216 | Q212-R214 PolarHBondContact O-N 2.95Å; R214-P216 VanDerWaalsContact O-CD 3.27Å; R214-P216 WeakPolarHBondContact O-CD 3.23Å | ||
| 215 | S | 35.7 | Very low | 42.9 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 51% | 0.51 | 75% | 0.748 | S | S | . | * | trans | -57.5 | 122 | 171.6 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | I213 S217 | I213-S215 VanDerWaalsContact C-N 3.34Å; I213-S215 PolarHBondContact O-N 2.93Å; S215-S217 PolarHBondContact O-N 2.99Å; S215-S217 VanDerWaalsContact OG-CB 3.23Å; S215-S217 WeakPolarHBondContact OG-CB 3.27Å; S215-S217 PolarHBondContact OG-N 2.72Å; S215-S217 PolarHBondContact OG-OG 3.46Å | ||
| 216 | P | 49 | Very low | 42.4 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -78.6 | 68.5 | 162.7 | 33.2 | -28.7 | 0 | 0 | 0 | 107.5 | R214 | R214-P216 VanDerWaalsContact O-CD 3.27Å; R214-P216 WeakPolarHBondContact O-CD 3.23Å | ||
| 217 | S | 49.6 | Very low | 42.1 | Very low | 81 Ų | 81 | 148.3 Ų | 148.3 | 57% | 0.566 | 77% | 0.765 | S | S | * | * | trans | -136.3 | 66.8 | 177 | 74.5 | 0 | 0 | 0 | 0 | 111.7 | S215 | S215-S217 PolarHBondContact O-N 2.99Å; S215-S217 VanDerWaalsContact OG-CB 3.23Å; S215-S217 WeakPolarHBondContact OG-CB 3.27Å; S215-S217 PolarHBondContact OG-N 2.72Å; S215-S217 PolarHBondContact OG-OG 3.46Å | ||
| 218 | T | 43.7 | Very low | 41.9 | Very low | 128 Ų | 128 | 149 Ų | 149 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -149 | 64 | 142.4 | 26 | 0 | 0 | 0 | 0 | 107.5 | Q220 | T218-Q220 PolarHBondContact O-N 3.24Š| ||
| 219 | Q | 46.6 | Very low | 41.8 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -67.4 | 96.8 | 135.1 | -83.1 | -163.8 | -7.4 | 0 | 0 | 105.7 | ||||
| 220 | Q | 35.6 | Very low | 41.8 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 71% | 0.71 | 79% | 0.794 | S | S | * | * | trans | -121.7 | 87.5 | 158.4 | -157.3 | 161 | -6.6 | 0 | 0 | 107.1 | T218 Q222 | T218-Q220 PolarHBondContact O-N 3.24Å; Q220-Q222 PolarHBondContact O-N 3.32Å | ||
| 221 | W | 39.1 | Very low | 41.5 | Very low | 219 Ų | 219 | 159.9 Ų | 159.9 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -49.1 | 120.5 | 149.5 | -83.3 | 89.6 | 0 | 0 | 0 | 108.6 | ||||
| 222 | Q | 35 | Very low | 41.1 | Very low | 175 Ų | 175 | 163.2 Ų | 163.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -159.6 | 120.6 | 139.3 | -110.6 | 172 | -3.1 | 0 | 0 | 111.6 | Q220 | Q220-Q222 PolarHBondContact O-N 3.32Š| ||
| 223 | K | 35.8 | Very low | 40.5 | Very low | 195 Ų | 195 | 160.6 Ų | 160.6 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -28.6 | 135.1 | 167 | -65.7 | 167.1 | 173.4 | 178 | 0 | 115.3 | ||||
| 224 | V | 34.8 | Very low | 40.5 | Very low | 216 Ų | 216 | 161.9 Ų | 161.9 | 100% | 1.309 | 81% | 0.812 | S | S | * | * | -142.7 | 0 | 108.4 | -179 | 0 | 0 | 0 | 0 | 107.5 |
Retrieved 224 of 224 residues in 121.5 ms
(Link to these results)