| 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 | 39.8 | Very low | 42.3 | Very low | 248 Ų | 248 | 158.8 Ų | 158.8 | 100% | 1.222 | 81% | 0.812 | S | S | * | * | 0 | 100.3 | 0 | -71 | -180 | -179.5 | 0 | 0 | 107.8 | |||||
| 2 | L | 31.8 | Very low | 43.1 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -89.8 | 134.9 | -170.2 | -82.8 | 157.6 | 0 | 0 | 0 | 111.4 | ||||
| 3 | A | 33.8 | Very low | 43.9 | Very low | 96 Ų | 96 | 152.4 Ų | 152.4 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -64.3 | 125.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K5 | A3-K5 PolarHBondContact O-N 3.48Š| ||
| 4 | R | 35.4 | Very low | 44.6 | Very low | 256 Ų | 256 | 149.6 Ų | 149.6 | 97% | 0.966 | 76% | 0.759 | S | S | * | * | trans | -73.3 | 109.6 | 169.4 | -96.2 | -177.6 | 177.1 | 178.8 | -0.8 | 109.5 | ||||
| 5 | K | 40.9 | Very low | 45.2 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -58.6 | 128.4 | 166.6 | -76.7 | 173.6 | 173.1 | 176.2 | 0 | 109.9 | A3 I7 | A3-K5 PolarHBondContact O-N 3.48Å; K5-I7 PolarHBondContact O-N 3.33Å; K5-I7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | S | 37.6 | Very low | 45.5 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -68.9 | 96.1 | 167.5 | 55.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 7 | I | 47.7 | Very low | 45.9 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 120.3 | 171.5 | -65 | 164.3 | 0 | 0 | 0 | 106.8 | K5 | K5-I7 PolarHBondContact O-N 3.33Å; K5-I7 VanDerWaalsContact O-N 3.1Å |
| 8 | I | 52.9 | Low | 46.2 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.8 | 165.6 | -61.5 | 164.5 | 0 | 0 | 0 | 106.3 | E10 | I8-E10 PolarHBondContact O-N 2.98Š|
| 9 | P | 45.2 | Very low | 46.7 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 49% | 0.494 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 125.6 | -179.4 | -19.7 | 30.2 | 0 | 0 | 0 | 110.4 | E11 Y12 | P9-E11 PolarHBondContact O-N 3.38Å; P9-Y12 PolarHBondContact O-N 2.88Å |
| 10 | E | 49.6 | Very low | 46.8 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -17.4 | 177.4 | -72.1 | -151.6 | 152.8 | 0 | 0 | 113.7 | I8 Y12 V13 L14 | I8-E10 PolarHBondContact O-N 2.98Å; E10-Y12 PolarHBondContact O-N 3.16Å; E10-V13 PolarHBondContact O-N 2.94Å; E10-L14 PolarHBondContact O-N 3.48Å; E10-L14 VanDerWaalsContact O-N 3.15Å |
| 11 | E | 50.6 | Low | 46.6 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -57.8 | -29.7 | 173.4 | -64.3 | -167.7 | 157.8 | 0 | 0 | 113.2 | P9 A15 | P9-E11 PolarHBondContact O-N 3.38Å; E11-A15 VanDerWaalsContact O-CB 3.26Å; E11-A15 WeakPolarHBondContact O-CB 3.5Å; E11-A15 PolarHBondContact O-N 3.22Å |
| 12 | Y | 52.1 | Low | 47.1 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 58% | 0.576 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -71.3 | -30.3 | 176 | -103.2 | -91.9 | 0 | 0 | 0 | 113.1 | P9 E10 R16 | P9-Y12 PolarHBondContact O-N 2.88Å; E10-Y12 PolarHBondContact O-N 3.16Å; Y12-R16 PolarHBondContact O-N 2.6Å |
| 13 | V | 53.4 | Low | 47.8 | Very low | 87 Ų | 87 | 135 Ų | 135 | 53% | 0.527 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -77.9 | -43.8 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | E10 R16 I17 | E10-V13 PolarHBondContact O-N 2.94Å; V13-R16 WeakPolarHBondContact O-CB 3.14Å; V13-R16 PolarHBondContact O-N 3.47Å; V13-I17 HydrophobicContact CG1-CD1 4.01Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 2.92Å; V13-I17 VanDerWaalsContact O-N 3.09Å |
| 14 | L | 53.2 | Low | 48.3 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 59% | 0.592 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.3 | -38.3 | 178.7 | -87.4 | 155.5 | 0 | 0 | 0 | 112.9 | E10 R16 I17 A18 | E10-L14 PolarHBondContact O-N 3.48Å; E10-L14 VanDerWaalsContact O-N 3.15Å; L14-R16 VanDerWaalsContact C-N 3.25Å; L14-R16 PolarHBondContact O-N 3.2Å; L14-I17 PolarHBondContact O-N 3.06Å; L14-A18 VanDerWaalsContact O-CB 3.28Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 2.84Å |
| 15 | A | 54.5 | Low | 48.5 | Very low | 64 Ų | 64 | 132.2 Ų | 132.2 | 53% | 0.529 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -63.8 | -32.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E11 A19 | E11-A15 VanDerWaalsContact O-CB 3.26Å; E11-A15 WeakPolarHBondContact O-CB 3.5Å; E11-A15 PolarHBondContact O-N 3.22Å; A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 2.92Å; A15-A19 VanDerWaalsContact O-N 3.16Å |
| 16 | R | 48.8 | Very low | 48.8 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 74% | 0.74 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.4 | -40.2 | 176.6 | -159.8 | 179.5 | -172.7 | -172.5 | 2.5 | 112 | Y12 V13 L14 | Y12-R16 PolarHBondContact O-N 2.6Å; V13-R16 WeakPolarHBondContact O-CB 3.14Å; V13-R16 PolarHBondContact O-N 3.47Å; L14-R16 VanDerWaalsContact C-N 3.25Å; L14-R16 PolarHBondContact O-N 3.2Å |
| 17 | I | 52.4 | Low | 49.5 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 45% | 0.446 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -74.8 | -37.8 | 178.3 | -63.6 | 168.4 | 0 | 0 | 0 | 111.3 | V13 L14 A19 E20 | V13-I17 HydrophobicContact CG1-CD1 4.01Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 2.92Å; V13-I17 VanDerWaalsContact O-N 3.09Å; L14-I17 PolarHBondContact O-N 3.06Å; I17-A19 VanDerWaalsContact C-N 3.33Å; I17-A19 PolarHBondContact O-N 3.05Å; I17-E20 PolarHBondContact O-N 3.29Å |
| 18 | A | 51.1 | Low | 49.3 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 56% | 0.562 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -68.7 | -31.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L14 E20 | L14-A18 VanDerWaalsContact O-CB 3.28Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 2.84Å; A18-E20 VanDerWaalsContact C-N 3.31Å; A18-E20 PolarHBondContact O-N 2.83Å |
| 19 | A | 55.6 | Low | 49 | Very low | 77 Ų | 77 | 142 Ų | 142 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.8 | -19.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A15 I17 | A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 2.92Å; A15-A19 VanDerWaalsContact O-N 3.16Å; I17-A19 VanDerWaalsContact C-N 3.33Å; I17-A19 PolarHBondContact O-N 3.05Å |
| 20 | E | 50.1 | Low | 49.4 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.4 | -18 | 178.5 | -86.7 | -178.4 | 154.4 | 0 | 0 | 113.8 | I17 A18 | I17-E20 PolarHBondContact O-N 3.29Å; A18-E20 VanDerWaalsContact C-N 3.31Å; A18-E20 PolarHBondContact O-N 2.83Å |
| 21 | N | 41.1 | Very low | 49.5 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | trans | -100.3 | 5.6 | -169.8 | -79.7 | -41.7 | 0 | 0 | 0 | 116.7 | R23 | N21-R23 PolarHBondContact O-N 3.18Š| ||
| 22 | L | 51.8 | Low | 49.9 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -78.6 | 92.9 | 168.3 | -84.8 | 158.4 | 0 | 0 | 0 | 109.7 | K24 | L22-K24 PolarHBondContact O-N 2.75Š| ||
| 23 | R | 45.2 | Very low | 50.8 | Low | 248 Ų | 248 | 147.9 Ų | 147.9 | 94% | 0.936 | 71% | 0.711 | S | S | * | * | trans | -52.1 | 96.4 | 169.3 | -77.2 | -179.3 | 175.8 | 171.9 | -0.2 | 110 | N21 | N21-R23 PolarHBondContact O-N 3.18Š| ||
| 24 | K | 46 | Very low | 51.8 | Low | 184 Ų | 184 | 148.7 Ų | 148.7 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | -68.7 | 141.1 | 166.5 | -77 | 177.5 | 178.3 | 175.5 | 0 | 109 | L22 R26 | L22-K24 PolarHBondContact O-N 2.75Å; K24-R26 PolarHBondContact O-N 2.54Å | ||
| 25 | P | 39.3 | Very low | 53.4 | Low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | trans | -58.5 | 132.4 | 172.9 | 24.4 | -31.4 | 0 | 0 | 0 | 109.1 | I27 | P25-I27 VanDerWaalsContact C-N 3.27Å; P25-I27 PolarHBondContact O-N 3.43Å | ||
| 26 | R | 46.8 | Very low | 55.1 | Low | 254 Ų | 254 | 144.1 Ų | 144.1 | 96% | 0.958 | 69% | 0.689 | S | S | * | * | trans | -61.4 | 87.4 | 176.6 | -88.5 | 178.7 | 165.1 | 151.2 | -5 | 109.6 | K24 R28 | K24-R26 PolarHBondContact O-N 2.54Å; R26-R28 PolarHBondContact O-N 3.34Å | ||
| 27 | I | 52.8 | Low | 57.1 | Low | 145 Ų | 145 | 135.2 Ų | 135.2 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | trans | -70.1 | 122.8 | 159.3 | -63.4 | 171.7 | 0 | 0 | 0 | 105.3 | P25 D29 | P25-I27 VanDerWaalsContact C-N 3.27Å; P25-I27 PolarHBondContact O-N 3.43Å; I27-D29 PolarHBondContact O-N 2.93Å | ||
| 28 | R | 42.9 | Very low | 59 | Low | 239 Ų | 239 | 132 Ų | 132 | 90% | 0.902 | 64% | 0.643 | S | S | * | * | trans | -37.6 | 106.2 | 174.9 | -161.9 | 175.5 | -179.9 | -177.1 | -0.4 | 110 | R26 R30 | R26-R28 PolarHBondContact O-N 3.34Å; R28-R30 PolarHBondContact O-N 3.18Å | ||
| 29 | D | 46.2 | Very low | 60.8 | Low | 147 Ų | 147 | 131.6 Ų | 131.6 | 79% | 0.786 | 63% | 0.628 | S | S | * | * | trans | -59.3 | 110.3 | -179.1 | -80.2 | -45.8 | 0 | 0 | 0 | 108.3 | I27 | I27-D29 PolarHBondContact O-N 2.93Š| ||
| 30 | R | 53.3 | Low | 62.3 | Low | 164 Ų | 164 | 134.1 Ų | 134.1 | 62% | 0.619 | 63% | 0.631 | S | S | * | * | trans | -52.6 | 137.5 | 157.8 | -80.3 | 177.3 | 171.9 | 175.7 | -4.8 | 106.3 | R28 R32 | R28-R30 PolarHBondContact O-N 3.18Å; R30-R32 PolarHBondContact O-N 3.5Å | ||
| 31 | P | 51.7 | Low | 64 | Low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | trans | -52.6 | 120.5 | 174 | 22.6 | -31.8 | 0 | 0 | 0 | 107.5 | K33 | P31-K33 PolarHBondContact O-N 3.42Š| ||
| 32 | R | 60 | Low | 66.2 | Low | 235 Ų | 235 | 123.5 Ų | 123.5 | 89% | 0.887 | 59% | 0.588 | S | S | * | * | trans | -56.9 | 105.8 | -178.8 | -78.7 | -178.7 | 167.8 | 173.1 | -1.9 | 107.4 | R30 A34 | R30-R32 PolarHBondContact O-N 3.5Å; R32-A34 PolarHBondContact O-N 3.21Å | ||
| 33 | K | 69.8 | Low | 68 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 138.1 | 177.4 | -67.8 | -172.9 | -178.7 | -174.6 | 0 | 108.4 | P31 R35 D286 | P31-K33 PolarHBondContact O-N 3.42Å; K33-R35 PolarHBondContact O-N 3.28Å; K33-D286 VanDerWaalsContact CD-OD1 3.26Å; K33-D286 WeakPolarHBondContact CD-OD1 3.08Å; K33-D286 WeakPolarHBondContact CE-OD1 3.44Å; K33-D286 IonicContact NZ-OD1 2.75Å; K33-D286 PolarHBondContact NZ-OD1 2.85Å; K33-D286 IonicContact NZ-OD2 2.98Å; K33-D286 PolarHBondContact NZ-OD2 2.96Å |
| 34 | A | 75.2 | Confident | 70 | Confident | 105 Ų | 105 | 112 Ų | 112 | 87% | 0.868 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 124.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | R32 | R32-A34 PolarHBondContact O-N 3.21Š|
| 35 | R | 87.3 | Confident | 71.9 | Confident | 46 Ų | 46 | 107.2 Ų | 107.2 | 17% | 0.174 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 137.4 | 177.7 | -177.8 | -166.9 | -66.8 | -133.2 | 4.6 | 108.8 | K33 I37 N44 E288 S309 I311 E314 | K33-R35 PolarHBondContact O-N 3.28Å; R35-I37 WeakPolarHBondContact CD-O 3.02Å; R35-I37 VanDerWaalsContact CG-O 3.22Å; R35-I37 WeakPolarHBondContact CG-O 3.33Å; R35-N44 VanDerWaalsContact O-CB 3.23Å; R35-N44 WeakPolarHBondContact O-CB 3.42Å; R35-N44 PolarHBondContact O-ND2 3.27Å; R35-E288 WeakPolarHBondContact CG-OE1 3.29Å; R35-S309 WeakPolarHBondContact CD-OG 3.43Å; R35-S309 PolarHBondContact NH1-O 3.15Å; R35-S309 PolarHBondContact NH1-OG 3.1Å; R35-I311 HydrophobicContact CG-CG2 4.06Å; R35-E314 IonicContact CZ-OE1 2.72Å; R35-E314 IonicContact CZ-OE2 3.64Å; R35-E314 IonicContact NH1-OE1 3.34Å; R35-E314 IonicContact NH1-OE2 3.35Å; R35-E314 PolarHBondContact NH1-OE2 2.74Å; R35-E314 VanDerWaalsContact NH1-OE2 3.16Å; R35-E314 VanDerWaalsContact NH2-CD 3.26Å; R35-E314 IonicContact NH2-OE1 3.5Å; R35-E314 PolarHBondContact NH2-OE1 3Å; R35-E314 IonicContact NH2-OE2 2.93Å; R35-E314 PolarHBondContact NH2-OE2 3.15Å |
| 36 | F | 89.1 | Confident | 74 | Confident | 35 Ų | 35 | 106 Ų | 106 | 15% | 0.154 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -68.5 | -46.5 | -178.4 | -172.9 | -104.9 | 0 | 0 | 0 | 112.5 | N44 L45 I240 E288 I290 | F36-N44 PolarHBondContact O-N 3.41Å; F36-L45 HydrophobicContact CD2-CD1 4.37Å; F36-L45 HydrophobicContact CD2-CD2 3.86Å; F36-L45 HydrophobicContact CD2-CG 4.26Å; F36-L45 HydrophobicContact CE2-CD1 3.57Å; F36-L45 HydrophobicContact CE2-CD2 3.61Å; F36-L45 HydrophobicContact CE2-CG 3.91Å; F36-L45 HydrophobicContact CZ-CD1 3.7Å; F36-L45 HydrophobicContact CZ-CG 4.45Å; F36-I240 HydrophobicContact CD2-CD1 4.06Å; F36-I240 HydrophobicContact CD2-CG2 4.37Å; F36-I240 HydrophobicContact CE2-CD1 3.83Å; F36-I240 HydrophobicContact CE2-CG2 3.99Å; F36-I240 HydrophobicContact CZ-CG2 4.37Å; F36-E288 WeakPolarHBondContact CB-OE2 3.29Å; F36-E288 PolarHBondContact N-OE1 3.4Å; F36-E288 PolarHBondContact N-OE2 2.94Å; F36-I290 HydrophobicContact CD1-CD1 3.5Å; F36-I290 VanDerWaalsContact CD1-CD1 3.5Å; F36-I290 HydrophobicContact CE1-CD1 3.83Å |
| 37 | I | 92.2 | Very high | 75.7 | Confident | 8 Ų | 8 | 101.1 Ų | 101.1 | 4% | 0.041 | 52% | 0.52 | C | S | . | . | B | Isolated β-bridge | trans | -122.8 | 126.4 | 175.5 | -73 | 170.5 | 0 | 0 | 0 | 109.6 | R35 A42 E288 I290 S309 | R35-I37 WeakPolarHBondContact CD-O 3.02Å; R35-I37 VanDerWaalsContact CG-O 3.22Å; R35-I37 WeakPolarHBondContact CG-O 3.33Å; I37-A42 CarbonylContact C-O 3.5Å; I37-E288 PolarHBondContact N-OE1 3.48Å; I37-I290 HydrophobicContact CD1-CB 4.37Å; I37-I290 HydrophobicContact CD1-CD1 3.71Å; I37-I290 HydrophobicContact CD1-CG1 3.95Å; I37-I290 HydrophobicContact CD1-CG2 3.51Å; I37-I290 HydrophobicContact CG1-CD1 4.47Å; I37-S309 PolarHBondContact O-OG 2.91Å |
| 38 | A | 91.1 | Very high | 77.2 | Confident | 20 Ų | 20 | 103 Ų | 103 | 17% | 0.165 | 52% | 0.522 | C | S | . | . | trans | -66.7 | 160.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N40 G41 A42 | A38-N40 WeakPolarHBondContact CB-OD1 3.41Å; A38-N40 PolarHBondContact O-N 3.27Å; A38-N40 VanDerWaalsContact O-N 3.09Å; A38-G41 PolarHBondContact O-N 3.22Å; A38-A42 HydrophobicContact CB-CB 4.41Å; A38-A42 PolarHBondContact N-O 3.21Å | ||
| 39 | K | 90 | Very high | 79.2 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 26% | 0.261 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.8 | 179.2 | -85 | -57.6 | -169.4 | -165.3 | 0 | 114.4 | R192 T308 S309 E314 | K39-R192 VanDerWaalsContact CE-O 3.26Å; K39-R192 WeakPolarHBondContact CE-O 3.49Å; K39-R192 PolarHBondContact NZ-O 3.04Å; K39-T308 PolarHBondContact O-OG1 3.08Å; K39-S309 WeakPolarHBondContact CD-O 3.23Å; K39-S309 WeakPolarHBondContact CE-O 3.42Å; K39-S309 PolarHBondContact NZ-O 3.3Å; K39-E314 WeakPolarHBondContact CE-OE1 3.35Å; K39-E314 WeakPolarHBondContact CE-OE2 3.35Å; K39-E314 IonicContact NZ-OE1 3.77Å; K39-E314 IonicContact NZ-OE2 3.96Å; K39-E314 PolarHBondContact NZ-OE2 3.43Å |
| 40 | N | 86 | Confident | 80.8 | Confident | 130 Ų | 130 | 96.1 Ų | 96.1 | 70% | 0.695 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 2.3 | 176.6 | 65.3 | -11.7 | 0 | 0 | 0 | 113.4 | A38 A42 | A38-N40 WeakPolarHBondContact CB-OD1 3.41Å; A38-N40 PolarHBondContact O-N 3.27Å; A38-N40 VanDerWaalsContact O-N 3.09Å; N40-A42 WeakPolarHBondContact OD1-CB 3.44Å; N40-A42 PolarHBondContact OD1-N 3.32Å |
| 41 | G | 86.7 | Confident | 81.9 | Confident | 9 Ų | 9 | 99.2 Ų | 99.2 | 9% | 0.093 | 51% | 0.514 | C | S | . | . | S | Bend | trans | 86.1 | 1.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A38 R307 | A38-G41 PolarHBondContact O-N 3.22Å; G41-R307 WeakPolarHBondContact CA-O 3.43Å; G41-R307 PolarHBondContact N-O 3.41Å |
| 42 | A | 87.3 | Confident | 83.1 | Confident | 46 Ų | 46 | 97.7 Ų | 97.7 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | trans | -73.6 | 133.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | I37 A38 N40 | I37-A42 CarbonylContact C-O 3.5Å; A38-A42 HydrophobicContact CB-CB 4.41Å; A38-A42 PolarHBondContact N-O 3.21Å; N40-A42 WeakPolarHBondContact OD1-CB 3.44Å; N40-A42 PolarHBondContact OD1-N 3.32Å | ||
| 43 | C | 88.4 | Confident | 83.6 | Confident | 63 Ų | 63 | 93.5 Ų | 93.5 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 125.5 | 178 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | L45 | C43-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact O-N 3.13Å |
| 44 | N | 87.6 | Confident | 83.7 | Confident | 93 Ų | 93 | 88.9 Ų | 88.9 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | trans | -90 | 57.2 | 176.5 | -67 | -31.1 | 0 | 0 | 0 | 110.5 | R35 F36 | R35-N44 VanDerWaalsContact O-CB 3.23Å; R35-N44 WeakPolarHBondContact O-CB 3.42Å; R35-N44 PolarHBondContact O-ND2 3.27Å; F36-N44 PolarHBondContact O-N 3.41Å | ||
| 45 | L | 86.1 | Confident | 83.8 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | trans | -117 | 120.5 | 177.9 | -69.8 | 174.8 | 0 | 0 | 0 | 109.8 | F36 C43 | F36-L45 HydrophobicContact CD2-CD1 4.37Å; F36-L45 HydrophobicContact CD2-CD2 3.86Å; F36-L45 HydrophobicContact CD2-CG 4.26Å; F36-L45 HydrophobicContact CE2-CD1 3.57Å; F36-L45 HydrophobicContact CE2-CD2 3.61Å; F36-L45 HydrophobicContact CE2-CG 3.91Å; F36-L45 HydrophobicContact CZ-CD1 3.7Å; F36-L45 HydrophobicContact CZ-CG 4.45Å; C43-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact O-N 3.13Å | ||
| 46 | A | 83.8 | Confident | 83.1 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 70% | 0.702 | 48% | 0.481 | S | S | * | . | trans | -100.4 | 108.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | K48 | A46-K48 PolarHBondContact O-N 3.4Š| ||
| 47 | H | 82.3 | Confident | 82.4 | Confident | 152 Ų | 152 | 99 Ų | 99 | 70% | 0.704 | 51% | 0.507 | S | S | * | . | trans | -70.9 | 124.5 | 171.6 | -56 | 93.4 | 0 | 0 | 0 | 109 | I50 | H47-I50 HydrophobicContact CB-CD1 3.65Å; H47-I50 HydrophobicContact CB-CG1 4.25Å | ||
| 48 | K | 84.8 | Confident | 81.9 | Confident | 184 Ų | 184 | 106.6 Ų | 106.6 | 80% | 0.8 | 54% | 0.542 | S | S | * | . | trans | -117.2 | 146.8 | 176.2 | -68 | -175 | 178.5 | -178.2 | 0 | 109.5 | A46 | A46-K48 PolarHBondContact O-N 3.4Š| ||
| 49 | N | 83.6 | Confident | 81.7 | Confident | 163 Ų | 163 | 109.2 Ų | 109.2 | 87% | 0.872 | 55% | 0.554 | S | S | * | * | trans | 58.7 | 51.5 | 175.4 | -161.6 | 20.3 | 0 | 0 | 0 | 114.9 | R51 | N49-R51 PolarHBondContact O-N 2.96Š| ||
| 50 | I | 80.4 | Confident | 81.5 | Confident | 78 Ų | 78 | 112.2 Ų | 112.2 | 40% | 0.4 | 57% | 0.571 | S | S | . | * | trans | -81.7 | 110 | 170.7 | -61.2 | 164.3 | 0 | 0 | 0 | 108.4 | H47 E52 | H47-I50 HydrophobicContact CB-CD1 3.65Å; H47-I50 HydrophobicContact CB-CG1 4.25Å; I50-E52 VanDerWaalsContact C-N 3.27Å; I50-E52 PolarHBondContact O-N 3.14Å | ||
| 51 | R | 76.6 | Confident | 81.4 | Confident | 230 Ų | 230 | 110.3 Ų | 110.3 | 87% | 0.868 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -70.3 | -18.5 | -177.3 | -164.2 | 169.2 | 72.8 | 178.4 | 2.8 | 114.2 | N49 | N49-R51 PolarHBondContact O-N 2.96Š|
| 52 | E | 75.9 | Confident | 81.5 | Confident | 85 Ų | 85 | 112.6 Ų | 112.6 | 40% | 0.397 | 57% | 0.569 | S | S | . | * | trans | -120.9 | 63 | -171.6 | -67.9 | -178.6 | -119.1 | 0 | 0 | 112.6 | I50 G54 R55 | I50-E52 VanDerWaalsContact C-N 3.27Å; I50-E52 PolarHBondContact O-N 3.14Å; E52-G54 PolarHBondContact O-N 3.44Å; E52-R55 HydrophobicContact CB-CG 4.48Å; E52-R55 PolarHBondContact O-N 3.29Å; E52-R55 IonicContact OE1-CZ 3.73Å; E52-R55 IonicContact OE1-NH1 3.81Å; E52-R55 IonicContact OE1-NH2 2.99Å; E52-R55 PolarHBondContact OE1-NH2 3.06Å; E52-R55 IonicContact OE2-CZ 2.7Å; E52-R55 IonicContact OE2-NE 3.58Å; E52-R55 PolarHBondContact OE2-NE 2.97Å; E52-R55 VanDerWaalsContact OE2-NE 3.1Å; E52-R55 IonicContact OE2-NH1 3.78Å; E52-R55 PolarHBondContact OE2-NH1 3.42Å; E52-R55 IonicContact OE2-NH2 2.99Å; E52-R55 PolarHBondContact OE2-NH2 3.05Å | ||
| 53 | Q | 70.7 | Confident | 81.5 | Confident | 148 Ų | 148 | 112.4 Ų | 112.4 | 69% | 0.692 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -23.6 | 176.2 | -66.2 | -180 | -23.3 | 0 | 0 | 112.9 | R55 F56 | Q53-R55 PolarHBondContact O-N 3.45Å; Q53-F56 PolarHBondContact O-N 3.36Å |
| 54 | G | 71.7 | Confident | 81.5 | Confident | 43 Ų | 43 | 110.7 Ų | 110.7 | 44% | 0.443 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.7 | -23.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E52 F56 L57 Q58 | E52-G54 PolarHBondContact O-N 3.44Å; G54-F56 VanDerWaalsContact C-N 3.26Å; G54-F56 PolarHBondContact O-N 3.07Å; G54-L57 PolarHBondContact O-N 3.05Å; G54-L57 VanDerWaalsContact O-N 3.09Å; G54-Q58 PolarHBondContact O-N 3.44Å |
| 55 | R | 77.9 | Confident | 81.6 | Confident | 143 Ų | 143 | 106.5 Ų | 106.5 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -31.3 | 176.3 | -74 | -166.4 | -77.6 | -141 | -10.6 | 112.7 | E52 Q53 L57 Q58 | E52-R55 HydrophobicContact CB-CG 4.48Å; E52-R55 PolarHBondContact O-N 3.29Å; E52-R55 IonicContact OE1-CZ 3.73Å; E52-R55 IonicContact OE1-NH1 3.81Å; E52-R55 IonicContact OE1-NH2 2.99Å; E52-R55 PolarHBondContact OE1-NH2 3.06Å; E52-R55 IonicContact OE2-CZ 2.7Å; E52-R55 IonicContact OE2-NE 3.58Å; E52-R55 PolarHBondContact OE2-NE 2.97Å; E52-R55 VanDerWaalsContact OE2-NE 3.1Å; E52-R55 IonicContact OE2-NH1 3.78Å; E52-R55 PolarHBondContact OE2-NH1 3.42Å; E52-R55 IonicContact OE2-NH2 2.99Å; E52-R55 PolarHBondContact OE2-NH2 3.05Å; Q53-R55 PolarHBondContact O-N 3.45Å; R55-L57 VanDerWaalsContact C-N 3.28Å; R55-L57 PolarHBondContact O-N 3.06Å; R55-Q58 PolarHBondContact O-N 3.13Å |
| 56 | F | 72 | Confident | 81.7 | Confident | 123 Ų | 123 | 108 Ų | 108 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -29.7 | 175.1 | -65.1 | -74.5 | 0 | 0 | 0 | 112.4 | Q53 G54 T63 | Q53-F56 PolarHBondContact O-N 3.36Å; G54-F56 VanDerWaalsContact C-N 3.26Å; G54-F56 PolarHBondContact O-N 3.07Å; F56-T63 HydrophobicContact CB-CG2 4.44Å; F56-T63 VanDerWaalsContact O-CG2 3.24Å; F56-T63 WeakPolarHBondContact O-CG2 3.38Å |
| 57 | L | 75.1 | Confident | 82 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 70% | 0.702 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -80 | -24.4 | 178.7 | -64.6 | 175.8 | 0 | 0 | 0 | 112.9 | G54 R55 D59 | G54-L57 PolarHBondContact O-N 3.05Å; G54-L57 VanDerWaalsContact O-N 3.09Å; R55-L57 VanDerWaalsContact C-N 3.28Å; R55-L57 PolarHBondContact O-N 3.06Å; L57-D59 VanDerWaalsContact C-N 3.28Å |
| 58 | Q | 81.9 | Confident | 82.4 | Confident | 166 Ų | 166 | 107.6 Ų | 107.6 | 78% | 0.776 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -32 | 175.1 | -71.4 | 177.7 | -16.6 | 0 | 0 | 111.7 | G54 R55 I60 | G54-Q58 PolarHBondContact O-N 3.44Å; R55-Q58 PolarHBondContact O-N 3.13Å; Q58-I60 PolarHBondContact O-N 3.08Å |
| 59 | D | 86.6 | Confident | 82.7 | Confident | 76 Ų | 76 | 104.1 Ų | 104.1 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | trans | -101.3 | 64.8 | 174.8 | -164.5 | -0.7 | 0 | 0 | 0 | 111.5 | L57 F61 T62 T63 | L57-D59 VanDerWaalsContact C-N 3.28Å; D59-F61 PolarHBondContact O-N 2.97Å; D59-T62 PolarHBondContact O-OG1 2.99Å; D59-T62 WeakPolarHBondContact OD1-CG2 3.47Å; D59-T62 PolarHBondContact OD1-N 3.04Å; D59-T62 PolarHBondContact OD1-OG1 2.64Å; D59-T62 VanDerWaalsContact OD1-OG1 3.11Å; D59-T62 WeakPolarHBondContact OD2-CB 3.36Å; D59-T62 WeakPolarHBondContact OD2-CG2 3.4Å; D59-T62 PolarHBondContact OD2-OG1 3.47Å; D59-T63 WeakPolarHBondContact O-CG2 3.35Å; D59-T63 PolarHBondContact O-N 3Å; D59-T63 PolarHBondContact O-OG1 3.25Å | ||
| 60 | I | 85.5 | Confident | 83.1 | Confident | 123 Ų | 123 | 106.4 Ų | 106.4 | 63% | 0.631 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.7 | -27 | -176 | -154.2 | 163.8 | 0 | 0 | 0 | 112.4 | Q58 T63 L64 | Q58-I60 PolarHBondContact O-N 3.08Å; I60-T63 VanDerWaalsContact C-OG1 3.31Å; I60-T63 VanDerWaalsContact CA-OG1 3.25Å; I60-T63 WeakPolarHBondContact CA-OG1 3.4Å; I60-T63 PolarHBondContact O-OG1 3.05Å; I60-L64 VanDerWaalsContact O-CB 3.27Å; I60-L64 WeakPolarHBondContact O-CB 3.48Å; I60-L64 PolarHBondContact O-N 3.03Å; I60-L64 VanDerWaalsContact O-N 3.08Å |
| 61 | F | 85.6 | Confident | 83.7 | Confident | 89 Ų | 89 | 107.7 Ų | 107.7 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.5 | -51.2 | -177.9 | -176.2 | -95.1 | 0 | 0 | 0 | 111.1 | D59 T63 L64 V65 C173 | D59-F61 PolarHBondContact O-N 2.97Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-T63 PolarHBondContact O-N 2.86Å; F61-L64 PolarHBondContact O-N 3.33Å; F61-V65 HydrophobicContact CE1-CG2 4.28Å; F61-V65 HydrophobicContact CZ-CG2 4.44Å; F61-V65 WeakPolarHBondContact O-CG2 3.47Å; F61-V65 PolarHBondContact O-N 3.42Å; F61-C173 WeakPolarHBondContact CE2-SG 3.17Å |
| 62 | T | 87 | Confident | 84.4 | Confident | 57 Ų | 57 | 96.9 Ų | 96.9 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 179 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | D59 L64 V65 D66 | D59-T62 PolarHBondContact O-OG1 2.99Å; D59-T62 WeakPolarHBondContact OD1-CG2 3.47Å; D59-T62 PolarHBondContact OD1-N 3.04Å; D59-T62 PolarHBondContact OD1-OG1 2.64Å; D59-T62 VanDerWaalsContact OD1-OG1 3.11Å; D59-T62 WeakPolarHBondContact OD2-CB 3.36Å; D59-T62 WeakPolarHBondContact OD2-CG2 3.4Å; D59-T62 PolarHBondContact OD2-OG1 3.47Å; T62-L64 PolarHBondContact O-N 2.99Å; T62-V65 PolarHBondContact O-N 3.23Å; T62-V65 VanDerWaalsContact O-N 3.17Å; T62-D66 WeakPolarHBondContact O-CB 3.37Å; T62-D66 PolarHBondContact O-N 3.42Å |
| 63 | T | 88.8 | Confident | 85.2 | Confident | 43 Ų | 43 | 97.4 Ų | 97.4 | 26% | 0.264 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.5 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | F56 D59 I60 F61 V65 D66 L67 | F56-T63 HydrophobicContact CB-CG2 4.44Å; F56-T63 VanDerWaalsContact O-CG2 3.24Å; F56-T63 WeakPolarHBondContact O-CG2 3.38Å; D59-T63 WeakPolarHBondContact O-CG2 3.35Å; D59-T63 PolarHBondContact O-N 3Å; D59-T63 PolarHBondContact O-OG1 3.25Å; I60-T63 VanDerWaalsContact C-OG1 3.31Å; I60-T63 VanDerWaalsContact CA-OG1 3.25Å; I60-T63 WeakPolarHBondContact CA-OG1 3.4Å; I60-T63 PolarHBondContact O-OG1 3.05Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-T63 PolarHBondContact O-N 2.86Å; T63-V65 VanDerWaalsContact C-N 3.3Å; T63-V65 PolarHBondContact O-N 3.5Å; T63-D66 PolarHBondContact O-N 2.98Å; T63-L67 VanDerWaalsContact O-CG 3.32Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-L67 PolarHBondContact O-N 3.26Å |
| 64 | L | 88.7 | Confident | 86.3 | Confident | 26 Ų | 26 | 94.3 Ų | 94.3 | 14% | 0.136 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 177 | -172.6 | 60.9 | 0 | 0 | 0 | 112.6 | I60 F61 T62 L67 T72 I75 F76 C173 | I60-L64 VanDerWaalsContact O-CB 3.27Å; I60-L64 WeakPolarHBondContact O-CB 3.48Å; I60-L64 PolarHBondContact O-N 3.03Å; I60-L64 VanDerWaalsContact O-N 3.08Å; F61-L64 PolarHBondContact O-N 3.33Å; T62-L64 PolarHBondContact O-N 2.99Å; L64-L67 HydrophobicContact CD1-CD1 4.36Å; L64-T72 PolarHBondContact O-OG1 2.93Å; L64-I75 HydrophobicContact CD1-CB 4.21Å; L64-I75 HydrophobicContact CD1-CD1 3.77Å; L64-I75 HydrophobicContact CD1-CG2 3.86Å; L64-F76 HydrophobicContact CD2-CE1 3.71Å; L64-F76 HydrophobicContact CD2-CZ 4.21Å; L64-F76 HydrophobicContact CG-CE1 4.37Å; L64-C173 HydrophobicContact CD2-CB 4.49Å |
| 65 | V | 89.4 | Confident | 87.4 | Confident | 5 Ų | 5 | 95.9 Ų | 95.9 | 3% | 0.03 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71 | -36.3 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | F61 T62 T63 M176 K177 Q180 | F61-V65 HydrophobicContact CE1-CG2 4.28Å; F61-V65 HydrophobicContact CZ-CG2 4.44Å; F61-V65 WeakPolarHBondContact O-CG2 3.47Å; F61-V65 PolarHBondContact O-N 3.42Å; T62-V65 PolarHBondContact O-N 3.23Å; T62-V65 VanDerWaalsContact O-N 3.17Å; T63-V65 VanDerWaalsContact C-N 3.3Å; T63-V65 PolarHBondContact O-N 3.5Å; V65-M176 HydrophobicContact CG1-CG 4Å; V65-M176 HydrophobicContact CG2-CB 4.35Å; V65-M176 HydrophobicContact CG2-CG 4.21Å; V65-K177 HydrophobicContact CG1-CB 4.29Å; V65-K177 PolarHBondContact O-NZ 2.97Å; V65-Q180 HydrophobicContact CG1-CG 4.31Å; V65-Q180 VanDerWaalsContact CG1-NE2 3.25Å |
| 66 | D | 87.8 | Confident | 88.1 | Confident | 116 Ų | 116 | 89.6 Ų | 89.6 | 62% | 0.62 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -81.4 | -19 | -178.5 | -76.3 | -9.5 | 0 | 0 | 0 | 114.3 | T62 T63 Q180 | T62-D66 WeakPolarHBondContact O-CB 3.37Å; T62-D66 PolarHBondContact O-N 3.42Å; T63-D66 PolarHBondContact O-N 2.98Å; D66-Q180 PolarHBondContact OD1-NE2 3.14Å |
| 67 | L | 89.8 | Confident | 89.1 | Confident | 69 Ų | 69 | 87.3 Ų | 87.3 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -56.9 | 156.8 | 174.7 | -81.2 | 173.9 | 0 | 0 | 0 | 112.1 | T63 L64 H71 I75 K177 | T63-L67 VanDerWaalsContact O-CG 3.32Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-L67 PolarHBondContact O-N 3.26Å; L64-L67 HydrophobicContact CD1-CD1 4.36Å; L67-H71 HydrophobicContact CB-CB 4.29Å; L67-H71 HydrophobicContact CD1-CB 4.37Å; L67-H71 HydrophobicContact CD2-CB 4.39Å; L67-I75 HydrophobicContact CD1-CD1 3.52Å; L67-K177 PolarHBondContact O-NZ 2.75Å |
| 68 | K | 90.8 | Very high | 90.1 | Very high | 159 Ų | 159 | 85.8 Ų | 85.8 | 69% | 0.691 | 42% | 0.418 | S | S | * | . | trans | -66.4 | 149.6 | 173.6 | -63.3 | 176.7 | -178.7 | 170.9 | 0 | 110.3 | R70 H71 T72 | K68-R70 PolarHBondContact O-N 2.88Å; K68-H71 PolarHBondContact O-N 2.62Å; K68-T72 PolarHBondContact O-N 2.95Å; K68-T72 PolarHBondContact O-OG1 3.44Å | ||
| 69 | W | 90.2 | Very high | 90.7 | Very high | 110 Ų | 110 | 80.3 Ų | 80.3 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -46.4 | -39.3 | 177.5 | -83.3 | 101.3 | 0 | 0 | 0 | 114.1 | H71 T72 L73 K177 T178 | W69-H71 PolarHBondContact O-N 3.29Å; W69-T72 PolarHBondContact O-N 3.01Å; W69-L73 WeakPolarHBondContact O-CB 3.4Å; W69-L73 VanDerWaalsContact O-CG 3.3Å; W69-L73 WeakPolarHBondContact O-CG 3.31Å; W69-L73 PolarHBondContact O-N 2.79Å; W69-K177 HydrophobicContact CD2-CD 3.89Å; W69-K177 HydrophobicContact CE3-CD 3.94Å; W69-K177 HydrophobicContact CH2-CB 4.35Å; W69-K177 HydrophobicContact CH2-CD 3.76Å; W69-K177 HydrophobicContact CH2-CG 4.06Å; W69-K177 HydrophobicContact CZ2-CB 4.32Å; W69-K177 HydrophobicContact CZ2-CD 3.71Å; W69-K177 HydrophobicContact CZ2-CG 3.69Å; W69-K177 HydrophobicContact CZ3-CD 3.88Å; W69-T178 HydrophobicContact CH2-CG2 3.64Å; W69-T178 HydrophobicContact CZ2-CG2 3.97Å |
| 70 | R | 93.4 | Very high | 91 | Very high | 212 Ų | 212 | 78.7 Ų | 78.7 | 80% | 0.8 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.6 | -45.5 | 177.1 | -64.2 | -175.8 | -177.8 | 175.4 | -0.2 | 112.6 | K68 V74 | K68-R70 PolarHBondContact O-N 2.88Å; R70-V74 VanDerWaalsContact O-CG2 3.3Å; R70-V74 WeakPolarHBondContact O-CG2 3.2Å; R70-V74 PolarHBondContact O-N 3.34Å; R70-V74 VanDerWaalsContact O-N 3.17Å |
| 71 | H | 92.8 | Very high | 91.5 | Very high | 105 Ų | 105 | 76.1 Ų | 76.1 | 49% | 0.486 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.7 | -42.4 | 179.5 | -62.5 | -62.7 | 0 | 0 | 0 | 111.2 | L67 K68 W69 L73 V74 I75 | L67-H71 HydrophobicContact CB-CB 4.29Å; L67-H71 HydrophobicContact CD1-CB 4.37Å; L67-H71 HydrophobicContact CD2-CB 4.39Å; K68-H71 PolarHBondContact O-N 2.62Å; W69-H71 PolarHBondContact O-N 3.29Å; H71-L73 VanDerWaalsContact C-N 3.33Å; H71-L73 PolarHBondContact O-N 2.86Å; H71-V74 PolarHBondContact O-N 2.89Å; H71-I75 VanDerWaalsContact O-CG1 3.29Å; H71-I75 WeakPolarHBondContact O-CG1 3.41Å; H71-I75 PolarHBondContact O-N 2.94Å |
| 72 | T | 91.4 | Very high | 92 | Very high | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57 | -45.8 | 175.6 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | L64 K68 W69 I75 F76 K177 | L64-T72 PolarHBondContact O-OG1 2.93Å; K68-T72 PolarHBondContact O-N 2.95Å; K68-T72 PolarHBondContact O-OG1 3.44Å; W69-T72 PolarHBondContact O-N 3.01Å; T72-I75 PolarHBondContact O-N 3.04Å; T72-F76 HydrophobicContact CG2-CD2 3.77Å; T72-F76 HydrophobicContact CG2-CE2 3.17Å; T72-F76 HydrophobicContact CG2-CZ 3.6Å; T72-F76 VanDerWaalsContact O-CD2 3.26Å; T72-F76 WeakPolarHBondContact O-CD2 3.25Å; T72-F76 VanDerWaalsContact O-CG 3.26Å; T72-F76 WeakPolarHBondContact O-CG 3.49Å; T72-F76 PolarHBondContact O-N 3.18Å; T72-K177 HydrophobicContact CG2-CD 4.05Å; T72-K177 WeakPolarHBondContact OG1-CE 3.22Å; T72-K177 PolarHBondContact OG1-NZ 3.37Å |
| 73 | L | 91.9 | Very high | 92.5 | Very high | 97 Ų | 97 | 73.4 Ų | 73.4 | 51% | 0.508 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.1 | -73.2 | 171.4 | 0 | 0 | 0 | 112.5 | W69 H71 F76 T77 | W69-L73 WeakPolarHBondContact O-CB 3.4Å; W69-L73 VanDerWaalsContact O-CG 3.3Å; W69-L73 WeakPolarHBondContact O-CG 3.31Å; W69-L73 PolarHBondContact O-N 2.79Å; H71-L73 VanDerWaalsContact C-N 3.33Å; H71-L73 PolarHBondContact O-N 2.86Å; L73-F76 PolarHBondContact O-N 2.98Å; L73-T77 WeakPolarHBondContact O-CG2 3.24Å; L73-T77 PolarHBondContact O-N 2.8Å; L73-T77 PolarHBondContact O-OG1 3.17Å |
| 74 | V | 94.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 73.8 Ų | 73.8 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.9 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | R70 H71 F76 T77 M78 | R70-V74 VanDerWaalsContact O-CG2 3.3Å; R70-V74 WeakPolarHBondContact O-CG2 3.2Å; R70-V74 PolarHBondContact O-N 3.34Å; R70-V74 VanDerWaalsContact O-N 3.17Å; H71-V74 PolarHBondContact O-N 2.89Å; V74-F76 VanDerWaalsContact C-N 3.31Å; V74-F76 PolarHBondContact O-N 3.28Å; V74-T77 PolarHBondContact O-OG1 3.03Å; V74-M78 HydrophobicContact CG1-CG 4.37Å; V74-M78 WeakPolarHBondContact O-CB 3.48Å; V74-M78 VanDerWaalsContact O-CG 3.24Å; V74-M78 WeakPolarHBondContact O-CG 3.27Å; V74-M78 PolarHBondContact O-N 2.97Å |
| 75 | I | 93.3 | Very high | 93.2 | Very high | 75 Ų | 75 | 76.5 Ų | 76.5 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.8 | -69.2 | 165.3 | 0 | 0 | 0 | 110.3 | L64 L67 H71 T72 M78 S79 | L64-I75 HydrophobicContact CD1-CB 4.21Å; L64-I75 HydrophobicContact CD1-CD1 3.77Å; L64-I75 HydrophobicContact CD1-CG2 3.86Å; L67-I75 HydrophobicContact CD1-CD1 3.52Å; H71-I75 VanDerWaalsContact O-CG1 3.29Å; H71-I75 WeakPolarHBondContact O-CG1 3.41Å; H71-I75 PolarHBondContact O-N 2.94Å; T72-I75 PolarHBondContact O-N 3.04Å; I75-M78 PolarHBondContact O-N 3.44Å; I75-S79 WeakPolarHBondContact O-CB 3.5Å; I75-S79 PolarHBondContact O-N 2.99Å |
| 76 | F | 92.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 81.2 Ų | 81.2 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 178.2 | -70.3 | -28.4 | 0 | 0 | 0 | 113.5 | L64 T72 L73 V74 M78 S79 F80 M170 C173 I174 | L64-F76 HydrophobicContact CD2-CE1 3.71Å; L64-F76 HydrophobicContact CD2-CZ 4.21Å; L64-F76 HydrophobicContact CG-CE1 4.37Å; T72-F76 HydrophobicContact CG2-CD2 3.77Å; T72-F76 HydrophobicContact CG2-CE2 3.17Å; T72-F76 HydrophobicContact CG2-CZ 3.6Å; T72-F76 VanDerWaalsContact O-CD2 3.26Å; T72-F76 WeakPolarHBondContact O-CD2 3.25Å; T72-F76 VanDerWaalsContact O-CG 3.26Å; T72-F76 WeakPolarHBondContact O-CG 3.49Å; T72-F76 PolarHBondContact O-N 3.18Å; L73-F76 PolarHBondContact O-N 2.98Å; V74-F76 VanDerWaalsContact C-N 3.31Å; V74-F76 PolarHBondContact O-N 3.28Å; F76-M78 VanDerWaalsContact C-N 3.31Å; F76-M78 PolarHBondContact O-N 3.46Å; F76-S79 PolarHBondContact O-N 2.87Å; F76-F80 PolarHBondContact O-N 3.45Å; F76-F80 VanDerWaalsContact O-N 3.13Å; F76-M170 HydrophobicContact CB-CE 3.59Å; F76-M170 HydrophobicContact CB-SD 3.66Å; F76-M170 HydrophobicContact CD1-CB 4.37Å; F76-M170 HydrophobicContact CD1-CG 3.81Å; F76-M170 HydrophobicContact CD1-SD 3.86Å; F76-M170 HydrophobicContact CD2-CE 3.72Å; F76-M170 HydrophobicContact CD2-CG 4.03Å; F76-M170 HydrophobicContact CD2-SD 4.1Å; F76-M170 HydrophobicContact CE1-CB 4.24Å; F76-M170 HydrophobicContact CE1-CG 3.86Å; F76-M170 HydrophobicContact CE2-CG 4.08Å; F76-M170 HydrophobicContact CG-CE 3.73Å; F76-M170 HydrophobicContact CG-CG 3.91Å; F76-M170 HydrophobicContact CG-SD 3.63Å; F76-M170 HydrophobicContact CZ-CG 4.02Å; F76-C173 HydrophobicContact CE1-CB 4.34Å; F76-C173 HydrophobicContact CZ-CB 3.74Å; F76-I174 HydrophobicContact CD2-CD1 4.19Å; F76-I174 HydrophobicContact CD2-CG1 4.2Å; F76-I174 HydrophobicContact CE2-CD1 3.91Å; F76-I174 HydrophobicContact CE2-CG1 3.44Å; F76-I174 VanDerWaalsContact CE2-CG1 3.44Å; F76-I174 HydrophobicContact CZ-CG1 4.1Å |
| 77 | T | 93.7 | Very high | 93.9 | Very high | 74 Ų | 74 | 76.2 Ų | 76.2 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.7 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | L73 V74 F80 L81 | L73-T77 WeakPolarHBondContact O-CG2 3.24Å; L73-T77 PolarHBondContact O-N 2.8Å; L73-T77 PolarHBondContact O-OG1 3.17Å; V74-T77 PolarHBondContact O-OG1 3.03Å; T77-F80 PolarHBondContact O-N 3.35Å; T77-L81 WeakPolarHBondContact O-CB 3.26Å; T77-L81 VanDerWaalsContact O-CG 3.24Å; T77-L81 WeakPolarHBondContact O-CG 3.49Å; T77-L81 PolarHBondContact O-N 2.95Å |
| 78 | M | 95.2 | Very high | 94.2 | Very high | 102 Ų | 102 | 73 Ų | 73 | 50% | 0.502 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.1 | -72.5 | -63.9 | 160.1 | 0 | 0 | 112.4 | V74 I75 F76 F80 L81 C82 | V74-M78 HydrophobicContact CG1-CG 4.37Å; V74-M78 WeakPolarHBondContact O-CB 3.48Å; V74-M78 VanDerWaalsContact O-CG 3.24Å; V74-M78 WeakPolarHBondContact O-CG 3.27Å; V74-M78 PolarHBondContact O-N 2.97Å; I75-M78 PolarHBondContact O-N 3.44Å; F76-M78 VanDerWaalsContact C-N 3.31Å; F76-M78 PolarHBondContact O-N 3.46Å; M78-F80 PolarHBondContact O-N 3.45Å; M78-L81 PolarHBondContact O-N 3.44Å; M78-L81 HydrophobicContact SD-CD1 4.46Å; M78-C82 VanDerWaalsContact O-CB 3.27Å; M78-C82 WeakPolarHBondContact O-CB 3.35Å; M78-C82 PolarHBondContact O-N 2.96Å; M78-C82 PolarHBondContact O-SG 2.69Å |
| 79 | S | 94.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 112 | I75 F76 C82 S83 | I75-S79 WeakPolarHBondContact O-CB 3.5Å; I75-S79 PolarHBondContact O-N 2.99Å; F76-S79 PolarHBondContact O-N 2.87Å; S79-C82 PolarHBondContact O-N 3.08Å; S79-S83 PolarHBondContact O-N 2.88Å; S79-S83 PolarHBondContact O-OG 3.3Å |
| 80 | F | 94.6 | Very high | 94.6 | Very high | 42 Ų | 42 | 69.5 Ų | 69.5 | 18% | 0.184 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 176.4 | -79.6 | -55 | 0 | 0 | 0 | 112.4 | F76 T77 M78 C82 S83 W84 I166 M170 | F76-F80 PolarHBondContact O-N 3.45Å; F76-F80 VanDerWaalsContact O-N 3.13Å; T77-F80 PolarHBondContact O-N 3.35Å; M78-F80 PolarHBondContact O-N 3.45Å; F80-C82 VanDerWaalsContact C-N 3.34Å; F80-C82 PolarHBondContact O-N 3.46Å; F80-S83 PolarHBondContact O-N 3.2Å; F80-S83 VanDerWaalsContact O-N 3.16Å; F80-S83 PolarHBondContact O-OG 2.88Å; F80-W84 HydrophobicContact CB-CD2 4.48Å; F80-W84 HydrophobicContact CB-CH2 4.21Å; F80-W84 HydrophobicContact CB-CZ2 3.95Å; F80-W84 HydrophobicContact CD1-CZ2 4.41Å; F80-W84 HydrophobicContact CG-CZ2 4.28Å; F80-W84 PolarHBondContact O-N 2.79Å; F80-I166 HydrophobicContact CD1-CG2 4.32Å; F80-I166 HydrophobicContact CE1-CG2 4.01Å; F80-M170 HydrophobicContact CD2-CE 4.49Å; F80-M170 HydrophobicContact CD2-SD 3.98Å; F80-M170 HydrophobicContact CE2-CE 3.76Å; F80-M170 HydrophobicContact CE2-SD 3.15Å; F80-M170 WeakPolarHBondContact CE2-SD 3.47Å; F80-M170 HydrophobicContact CZ-SD 3.7Å |
| 81 | L | 95.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.356 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 178.5 | -71.5 | 171.6 | 0 | 0 | 0 | 111.8 | T77 M78 S83 W84 L85 | T77-L81 WeakPolarHBondContact O-CB 3.26Å; T77-L81 VanDerWaalsContact O-CG 3.24Å; T77-L81 WeakPolarHBondContact O-CG 3.49Å; T77-L81 PolarHBondContact O-N 2.95Å; M78-L81 PolarHBondContact O-N 3.44Å; M78-L81 HydrophobicContact SD-CD1 4.46Å; L81-S83 PolarHBondContact O-N 3.24Å; L81-W84 HydrophobicContact CD2-CE3 3.91Å; L81-W84 HydrophobicContact CD2-CZ3 3.97Å; L81-W84 PolarHBondContact O-N 2.85Å; L81-L85 WeakPolarHBondContact O-CB 3.42Å; L81-L85 VanDerWaalsContact O-CG 3.28Å; L81-L85 WeakPolarHBondContact O-CG 3.21Å; L81-L85 PolarHBondContact O-N 3.24Å |
| 82 | C | 96.4 | Very high | 94.7 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 53% | 0.534 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.2 | -73.6 | 0 | 0 | 0 | 0 | 111.7 | M78 S79 F80 L85 L86 | M78-C82 VanDerWaalsContact O-CB 3.27Å; M78-C82 WeakPolarHBondContact O-CB 3.35Å; M78-C82 PolarHBondContact O-N 2.96Å; M78-C82 PolarHBondContact O-SG 2.69Å; S79-C82 PolarHBondContact O-N 3.08Å; F80-C82 VanDerWaalsContact C-N 3.34Å; F80-C82 PolarHBondContact O-N 3.46Å; C82-L85 PolarHBondContact O-N 2.83Å; C82-L86 WeakPolarHBondContact O-CB 3.27Å; C82-L86 PolarHBondContact O-N 3.12Å |
| 83 | S | 96.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 177.7 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | S79 F80 L81 L85 L86 F87 Q135 | S79-S83 PolarHBondContact O-N 2.88Å; S79-S83 PolarHBondContact O-OG 3.3Å; F80-S83 PolarHBondContact O-N 3.2Å; F80-S83 VanDerWaalsContact O-N 3.16Å; F80-S83 PolarHBondContact O-OG 2.88Å; L81-S83 PolarHBondContact O-N 3.24Å; S83-L85 PolarHBondContact O-N 3.27Å; S83-L86 PolarHBondContact O-N 2.84Å; S83-F87 VanDerWaalsContact O-CD2 3.24Å; S83-F87 WeakPolarHBondContact O-CD2 3.45Å; S83-F87 PolarHBondContact O-N 2.8Å; S83-Q135 PolarHBondContact OG-NE2 3.32Å |
| 84 | W | 96.3 | Very high | 94.7 | Very high | 51 Ų | 51 | 59 Ų | 59 | 19% | 0.193 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 177.1 | -61.5 | -23.7 | 0 | 0 | 0 | 111.7 | F80 L81 A88 F128 S131 I132 V136 | F80-W84 HydrophobicContact CB-CD2 4.48Å; F80-W84 HydrophobicContact CB-CH2 4.21Å; F80-W84 HydrophobicContact CB-CZ2 3.95Å; F80-W84 HydrophobicContact CD1-CZ2 4.41Å; F80-W84 HydrophobicContact CG-CZ2 4.28Å; F80-W84 PolarHBondContact O-N 2.79Å; L81-W84 HydrophobicContact CD2-CE3 3.91Å; L81-W84 HydrophobicContact CD2-CZ3 3.97Å; L81-W84 PolarHBondContact O-N 2.85Å; W84-A88 WeakPolarHBondContact O-CB 3.22Å; W84-A88 PolarHBondContact O-N 3.18Å; W84-F128 HydrophobicContact CB-CD2 4.49Å; W84-F128 HydrophobicContact CB-CE2 3.79Å; W84-F128 HydrophobicContact CB-CZ 4.47Å; W84-S131 PolarHBondContact O-OG 2.93Å; W84-I132 HydrophobicContact CB-CG1 4.12Å; W84-I132 HydrophobicContact CD2-CD1 4.3Å; W84-I132 HydrophobicContact CD2-CG1 3.74Å; W84-I132 HydrophobicContact CE3-CD1 3.96Å; W84-I132 HydrophobicContact CE3-CG1 3.93Å; W84-I132 HydrophobicContact CG-CG1 3.82Å; W84-I132 HydrophobicContact CZ3-CD1 4.43Å; W84-V136 HydrophobicContact CZ2-CG2 3.65Å |
| 85 | L | 96.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 43% | 0.429 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 176.8 | -73.7 | 170.6 | 0 | 0 | 0 | 112.3 | L81 C82 S83 A88 M89 F124 F128 | L81-L85 WeakPolarHBondContact O-CB 3.42Å; L81-L85 VanDerWaalsContact O-CG 3.28Å; L81-L85 WeakPolarHBondContact O-CG 3.21Å; L81-L85 PolarHBondContact O-N 3.24Å; C82-L85 PolarHBondContact O-N 2.83Å; S83-L85 PolarHBondContact O-N 3.27Å; L85-A88 PolarHBondContact O-N 2.89Å; L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 PolarHBondContact O-N 3.06Å; L85-F124 HydrophobicContact CD2-CE1 4.34Å; L85-F124 HydrophobicContact CD2-CZ 4.15Å; L85-F128 HydrophobicContact CD2-CD2 3.9Å; L85-F128 HydrophobicContact CD2-CE2 3.71Å; L85-F128 HydrophobicContact CG-CE2 4.02Å |
| 86 | L | 96.3 | Very high | 94.2 | Very high | 104 Ų | 104 | 58.2 Ų | 58.2 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.6 | -51.7 | 177.3 | -173 | 161.4 | 0 | 0 | 0 | 110.6 | C82 S83 M89 M90 | C82-L86 WeakPolarHBondContact O-CB 3.27Å; C82-L86 PolarHBondContact O-N 3.12Å; S83-L86 PolarHBondContact O-N 2.84Å; L86-M89 PolarHBondContact O-N 2.78Å; L86-M90 HydrophobicContact CD2-CG 4.16Å; L86-M90 WeakPolarHBondContact O-CG 3.31Å; L86-M90 PolarHBondContact O-N 2.9Å |
| 87 | F | 96.3 | Very high | 94 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -34.3 | 179 | -74.7 | -67.3 | 0 | 0 | 0 | 112.4 | S83 M89 M90 W91 S131 L158 Q159 V162 | S83-F87 VanDerWaalsContact O-CD2 3.24Å; S83-F87 WeakPolarHBondContact O-CD2 3.45Å; S83-F87 PolarHBondContact O-N 2.8Å; F87-M89 VanDerWaalsContact C-N 3.31Å; F87-M89 PolarHBondContact O-N 2.79Å; F87-M90 WeakPolarHBondContact O-CB 3.35Å; F87-M90 PolarHBondContact O-N 3.41Å; F87-W91 PolarHBondContact O-N 3.36Å; F87-S131 WeakPolarHBondContact CB-OG 3.5Å; F87-L158 HydrophobicContact CE1-CG 4.49Å; F87-Q159 HydrophobicContact CB-CG 4.24Å; F87-Q159 HydrophobicContact CD1-CB 3.65Å; F87-Q159 HydrophobicContact CD1-CG 3.82Å; F87-Q159 HydrophobicContact CD2-CB 4.39Å; F87-Q159 HydrophobicContact CD2-CG 3.8Å; F87-Q159 HydrophobicContact CE1-CB 3.62Å; F87-Q159 HydrophobicContact CE1-CG 4.1Å; F87-Q159 HydrophobicContact CE2-CB 4.37Å; F87-Q159 HydrophobicContact CE2-CG 4.09Å; F87-Q159 HydrophobicContact CG-CB 4.07Å; F87-Q159 HydrophobicContact CG-CG 3.68Å; F87-Q159 HydrophobicContact CZ-CB 4.01Å; F87-Q159 HydrophobicContact CZ-CG 4.24Å; F87-V162 HydrophobicContact CE2-CB 4.26Å; F87-V162 HydrophobicContact CE2-CG1 4.08Å; F87-V162 HydrophobicContact CZ-CB 4.03Å; F87-V162 HydrophobicContact CZ-CG1 4.2Å; F87-V162 HydrophobicContact CZ-CG2 4.35Å |
| 88 | A | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W84 L85 W91 W92 F124 F128 S131 | W84-A88 WeakPolarHBondContact O-CB 3.22Å; W84-A88 PolarHBondContact O-N 3.18Å; L85-A88 PolarHBondContact O-N 2.89Å; A88-W91 PolarHBondContact O-N 3.42Å; A88-W92 VanDerWaalsContact O-CB 3.26Å; A88-W92 WeakPolarHBondContact O-CB 3.36Å; A88-W92 PolarHBondContact O-N 2.81Å; A88-F124 HydrophobicContact CB-CE2 4.21Å; A88-F124 HydrophobicContact CB-CZ 4.2Å; A88-F128 VanDerWaalsContact CB-CA 3.5Å; A88-F128 HydrophobicContact CB-CB 3.89Å; A88-F128 HydrophobicContact CB-CD2 3.8Å; A88-F128 HydrophobicContact CB-CG 4.35Å; A88-S131 PolarHBondContact N-OG 2.76Å |
| 89 | M | 95.4 | Very high | 93.1 | Very high | 115 Ų | 115 | 57.8 Ų | 57.8 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 175.1 | -176 | 173.2 | -77.8 | 0 | 0 | 111.2 | L85 L86 F87 W92 L93 F124 | L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 PolarHBondContact O-N 3.06Å; L86-M89 PolarHBondContact O-N 2.78Å; F87-M89 VanDerWaalsContact C-N 3.31Å; F87-M89 PolarHBondContact O-N 2.79Å; M89-W92 PolarHBondContact O-N 3.15Å; M89-L93 VanDerWaalsContact O-CB 3.29Å; M89-L93 WeakPolarHBondContact O-CB 3.3Å; M89-L93 PolarHBondContact O-N 2.81Å; M89-F124 HydrophobicContact CB-CE2 4.4Å |
| 90 | M | 94.4 | Very high | 92.4 | Very high | 82 Ų | 82 | 56 Ų | 56 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 174.3 | -67.7 | -64 | -67.6 | 0 | 0 | 111.9 | L86 F87 W92 L93 V94 V155 | L86-M90 HydrophobicContact CD2-CG 4.16Å; L86-M90 WeakPolarHBondContact O-CG 3.31Å; L86-M90 PolarHBondContact O-N 2.9Å; F87-M90 WeakPolarHBondContact O-CB 3.35Å; F87-M90 PolarHBondContact O-N 3.41Å; M90-W92 PolarHBondContact O-N 2.84Å; M90-L93 PolarHBondContact O-N 3.17Å; M90-V94 VanDerWaalsContact O-CG2 3.3Å; M90-V94 WeakPolarHBondContact O-CG2 3.39Å; M90-V94 PolarHBondContact O-N 2.99Å; M90-V155 HydrophobicContact CB-CG1 4.34Å; M90-V155 HydrophobicContact CE-CG2 4.47Å |
| 91 | W | 94 | Very high | 91.4 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.9 | -79.3 | 115.9 | 0 | 0 | 0 | 112.6 | F87 A88 L93 V94 A95 V118 A127 F130 M145 A152 V155 L156 | F87-W91 PolarHBondContact O-N 3.36Å; A88-W91 PolarHBondContact O-N 3.42Å; W91-L93 VanDerWaalsContact C-N 3.34Å; W91-V94 PolarHBondContact O-N 2.93Å; W91-A95 WeakPolarHBondContact O-CB 3.45Å; W91-A95 PolarHBondContact O-N 2.84Å; W91-V118 HydrophobicContact CE3-CG2 3.77Å; W91-V118 HydrophobicContact CH2-CG2 4.4Å; W91-V118 HydrophobicContact CZ3-CG2 3.49Å; W91-V118 VanDerWaalsContact CZ3-CG2 3.49Å; W91-A127 HydrophobicContact CB-CB 4.24Å; W91-F130 AromaticContact CD2-CD1 3.91Å; W91-F130 HydrophobicContact CD2-CD1 3.91Å; W91-F130 AromaticContact CD2-CE1 3.78Å; W91-F130 HydrophobicContact CD2-CE1 3.78Å; W91-F130 AromaticContact CE2-CE1 3.66Å; W91-F130 HydrophobicContact CE3-CD1 4.29Å; W91-F130 AromaticContact CE3-CE1 3.91Å; W91-F130 HydrophobicContact CE3-CE1 3.91Å; W91-F130 HydrophobicContact CG-CD1 4.1Å; W91-F130 HydrophobicContact CG-CE1 4.44Å; W91-F130 AromaticContact CH2-CE1 3.87Å; W91-F130 HydrophobicContact CH2-CE1 3.87Å; W91-F130 AromaticContact CZ2-CE1 3.74Å; W91-F130 HydrophobicContact CZ2-CE1 3.74Å; W91-F130 AromaticContact CZ3-CE1 3.93Å; W91-F130 HydrophobicContact CZ3-CE1 3.93Å; W91-M145 HydrophobicContact CH2-SD 3.71Å; W91-M145 HydrophobicContact CZ3-SD 3.86Å; W91-A152 HydrophobicContact CH2-CB 4.18Å; W91-A152 VanDerWaalsContact CH2-O 3.27Å; W91-A152 WeakPolarHBondContact CH2-O 3.36Å; W91-A152 HydrophobicContact CZ3-CB 3.72Å; W91-V155 HydrophobicContact CD2-CG1 4.32Å; W91-V155 HydrophobicContact CZ2-CB 4.44Å; W91-V155 HydrophobicContact CZ2-CG1 3.97Å; W91-L156 HydrophobicContact CH2-CB 4.12Å; W91-L156 HydrophobicContact CZ2-CB 4Å; W91-L156 HydrophobicContact CZ2-CD1 4.48Å |
| 92 | W | 93 | Very high | 90.2 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.6 | -179.7 | 73.4 | 0 | 0 | 0 | 111.7 | A88 M89 M90 A95 F96 M101 F124 A127 | A88-W92 VanDerWaalsContact O-CB 3.26Å; A88-W92 WeakPolarHBondContact O-CB 3.36Å; A88-W92 PolarHBondContact O-N 2.81Å; M89-W92 PolarHBondContact O-N 3.15Å; M90-W92 PolarHBondContact O-N 2.84Å; W92-A95 PolarHBondContact O-N 2.83Å; W92-F96 WeakPolarHBondContact O-CB 3.45Å; W92-F96 PolarHBondContact O-N 2.83Å; W92-M101 HydrophobicContact CD2-CE 4.36Å; W92-M101 HydrophobicContact CG-CE 4.35Å; W92-M101 HydrophobicContact CZ2-CE 4.26Å; W92-M101 VanDerWaalsContact NE1-CE 3.31Å; W92-M101 PolarHBondContact NE1-SD 2.86Å; W92-F124 HydrophobicContact CB-CD2 4.12Å; W92-F124 HydrophobicContact CG-CD2 4.1Å; W92-A127 HydrophobicContact CB-CB 3.95Å |
| 93 | L | 92.4 | Very high | 88.7 | Confident | 96 Ų | 96 | 59.8 Ų | 59.8 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 178.8 | -166.1 | 134.4 | 0 | 0 | 0 | 112.3 | M89 M90 W91 F96 A97 | M89-L93 VanDerWaalsContact O-CB 3.29Å; M89-L93 WeakPolarHBondContact O-CB 3.3Å; M89-L93 PolarHBondContact O-N 2.81Å; M90-L93 PolarHBondContact O-N 3.17Å; W91-L93 VanDerWaalsContact C-N 3.34Å; L93-F96 PolarHBondContact O-N 3.43Å; L93-A97 VanDerWaalsContact O-CB 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.31Å; L93-A97 PolarHBondContact O-N 3.3Å |
| 94 | V | 91.5 | Very high | 86.9 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 5% | 0.048 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 172.7 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | M90 W91 F96 A97 H98 L151 A152 V155 | M90-V94 VanDerWaalsContact O-CG2 3.3Å; M90-V94 WeakPolarHBondContact O-CG2 3.39Å; M90-V94 PolarHBondContact O-N 2.99Å; W91-V94 PolarHBondContact O-N 2.93Å; V94-F96 VanDerWaalsContact C-N 3.32Å; V94-F96 PolarHBondContact O-N 2.93Å; V94-A97 PolarHBondContact O-N 3.45Å; V94-H98 WeakPolarHBondContact O-CB 3.41Å; V94-H98 PolarHBondContact O-N 2.74Å; V94-L151 HydrophobicContact CG2-CD2 3.96Å; V94-L151 HydrophobicContact CG2-CG 4.24Å; V94-A152 HydrophobicContact CG1-CB 4.01Å; V94-V155 HydrophobicContact CG2-CG2 4.34Å |
| 95 | A | 89.3 | Confident | 85.3 | Confident | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | W91 W92 G99 D100 V121 | W91-A95 WeakPolarHBondContact O-CB 3.45Å; W91-A95 PolarHBondContact O-N 2.84Å; W92-A95 PolarHBondContact O-N 2.83Å; A95-G99 PolarHBondContact O-N 2.76Å; A95-G99 VanDerWaalsContact O-N 3.15Å; A95-D100 HydrophobicContact CB-CB 4.33Å; A95-D100 PolarHBondContact O-N 3.45Å; A95-V121 HydrophobicContact CB-CG1 4.4Å |
| 96 | F | 89.3 | Confident | 83.3 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 59% | 0.592 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.2 | -47.4 | 175.4 | -171.8 | -103.9 | 0 | 0 | 0 | 112.3 | W92 L93 V94 H98 G99 M101 | W92-F96 WeakPolarHBondContact O-CB 3.45Å; W92-F96 PolarHBondContact O-N 2.83Å; L93-F96 PolarHBondContact O-N 3.43Å; V94-F96 VanDerWaalsContact C-N 3.32Å; V94-F96 PolarHBondContact O-N 2.93Å; F96-H98 VanDerWaalsContact C-N 3.33Å; F96-H98 PolarHBondContact O-N 3.48Å; F96-G99 PolarHBondContact O-N 2.85Å; F96-M101 HydrophobicContact CB-CE 3.26Å; F96-M101 HydrophobicContact CD2-CE 3.5Å; F96-M101 VanDerWaalsContact CD2-CE 3.5Å; F96-M101 HydrophobicContact CG-CE 3.84Å |
| 97 | A | 88.3 | Confident | 81.3 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 66% | 0.661 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.1 | -32.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L93 V94 | L93-A97 VanDerWaalsContact O-CB 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.31Å; L93-A97 PolarHBondContact O-N 3.3Å; V94-A97 PolarHBondContact O-N 3.45Å |
| 98 | H | 85.1 | Confident | 79.1 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 30% | 0.296 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.2 | -29.5 | 174.8 | -165.5 | -112.4 | 0 | 0 | 0 | 112.2 | V94 F96 D100 W114 C149 | V94-H98 WeakPolarHBondContact O-CB 3.41Å; V94-H98 PolarHBondContact O-N 2.74Å; F96-H98 VanDerWaalsContact C-N 3.33Å; F96-H98 PolarHBondContact O-N 3.48Å; H98-D100 IonicContact CE1-OD1 3.61Å; H98-D100 IonicContact CG-OD1 2.74Å; H98-D100 IonicContact CG-OD2 3.11Å; H98-D100 VanDerWaalsContact ND1-CG 3.31Å; H98-D100 IonicContact ND1-OD1 2.72Å; H98-D100 PolarHBondContact ND1-OD1 2.88Å; H98-D100 IonicContact ND1-OD2 3.8Å; H98-D100 PolarHBondContact ND1-OD2 3.42Å; H98-W114 AromaticContact CE1-CE2 3.82Å; H98-W114 AromaticContact CE1-CH2 3.94Å; H98-W114 AromaticContact CE1-CZ2 3.33Å; H98-W114 WeakPolarHBondContact CE1-CZ2 3.25Å; H98-W114 AromaticContact ND1-CE2 3.94Å; H98-W114 AromaticContact ND1-CZ2 3.37Å; H98-W114 WeakPolarHBondContact ND1-CZ2 3.37Å; H98-W114 WeakPolarHBondContact O-CH2 3.34Å; H98-W114 WeakPolarHBondContact O-CZ2 3.47Å; H98-C149 VanDerWaalsContact CD2-SG 3.59Å; H98-C149 PolarHBondContact NE2-SG 2.96Å |
| 99 | G | 83.9 | Confident | 77 | Confident | 34 Ų | 34 | 73 Ų | 73 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 13.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A95 F96 M101 D102 | A95-G99 PolarHBondContact O-N 2.76Å; A95-G99 VanDerWaalsContact O-N 3.15Å; F96-G99 PolarHBondContact O-N 2.85Å; G99-M101 PolarHBondContact O-N 3.21Å; G99-M101 VanDerWaalsContact O-N 3.14Å; G99-D102 PolarHBondContact O-N 2.93Å |
| 100 | D | 79.6 | Confident | 74.8 | Confident | 16 Ų | 16 | 74 Ų | 74 | 9% | 0.086 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -9.6 | -175.6 | -69.2 | -20.1 | 0 | 0 | 0 | 114.3 | A95 H98 W114 P116 C117 | A95-D100 HydrophobicContact CB-CB 4.33Å; A95-D100 PolarHBondContact O-N 3.45Å; H98-D100 IonicContact CE1-OD1 3.61Å; H98-D100 IonicContact CG-OD1 2.74Å; H98-D100 IonicContact CG-OD2 3.11Å; H98-D100 VanDerWaalsContact ND1-CG 3.31Å; H98-D100 IonicContact ND1-OD1 2.72Å; H98-D100 PolarHBondContact ND1-OD1 2.88Å; H98-D100 IonicContact ND1-OD2 3.8Å; H98-D100 PolarHBondContact ND1-OD2 3.42Å; D100-W114 PolarHBondContact OD1-NE1 2.7Å; D100-P116 HydrophobicContact CB-CB 4.24Å; D100-P116 WeakPolarHBondContact OD1-CA 3.49Å; D100-C117 PolarHBondContact OD2-N 2.94Å |
| 101 | M | 73 | Confident | 72.6 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 24% | 0.236 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 1 | -179.7 | -76.4 | -164.2 | -91.3 | 0 | 0 | 114.3 | W92 F96 G99 P103 | W92-M101 HydrophobicContact CD2-CE 4.36Å; W92-M101 HydrophobicContact CG-CE 4.35Å; W92-M101 HydrophobicContact CZ2-CE 4.26Å; W92-M101 VanDerWaalsContact NE1-CE 3.31Å; W92-M101 PolarHBondContact NE1-SD 2.86Å; F96-M101 HydrophobicContact CB-CE 3.26Å; F96-M101 HydrophobicContact CD2-CE 3.5Å; F96-M101 VanDerWaalsContact CD2-CE 3.5Å; F96-M101 HydrophobicContact CG-CE 3.84Å; G99-M101 PolarHBondContact O-N 3.21Å; G99-M101 VanDerWaalsContact O-N 3.14Å; M101-P103 WeakPolarHBondContact O-CD 3.49Å |
| 102 | D | 71.8 | Confident | 70.8 | Confident | 95 Ų | 95 | 80.1 Ų | 80.1 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | trans | -69.1 | 121 | 176.4 | -158.5 | -22.6 | 0 | 0 | 0 | 110.6 | G99 S104 I105 | G99-D102 PolarHBondContact O-N 2.93Å; D102-S104 PolarHBondContact O-N 2.7Å; D102-I105 HydrophobicContact CB-CD1 4.34Å; D102-I105 PolarHBondContact O-N 3.46Å; D102-I105 VanDerWaalsContact O-N 3.12Å | ||
| 103 | P | 64.6 | Low | 69.3 | Low | 124 Ų | 124 | 85.5 Ų | 85.5 | 81% | 0.805 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -11.3 | -177.5 | 21.4 | -34.4 | 0 | 0 | 0 | 115.1 | M101 I105 | M101-P103 WeakPolarHBondContact O-CD 3.49Å; P103-I105 PolarHBondContact O-N 2.97Å |
| 104 | S | 58.7 | Low | 68.4 | Low | 92 Ų | 92 | 86.4 Ų | 86.4 | 64% | 0.643 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -11.9 | 173.9 | 60.2 | 0 | 0 | 0 | 0 | 114.3 | D102 E106 | D102-S104 PolarHBondContact O-N 2.7Å; S104-E106 PolarHBondContact O-N 3.35Å |
| 105 | I | 61.3 | Low | 67.9 | Low | 37 Ų | 37 | 89.4 Ų | 89.4 | 19% | 0.19 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -88.2 | 97.1 | 178.9 | -57.8 | 163 | 0 | 0 | 0 | 108.6 | D102 P103 W114 | D102-I105 HydrophobicContact CB-CD1 4.34Å; D102-I105 PolarHBondContact O-N 3.46Å; D102-I105 VanDerWaalsContact O-N 3.12Å; P103-I105 PolarHBondContact O-N 2.97Å; I105-W114 VanDerWaalsContact CD1-CD1 3.44Å; I105-W114 HydrophobicContact CD1-CG 4.19Å |
| 106 | E | 55.6 | Low | 67.7 | Low | 123 Ų | 123 | 90.5 Ų | 90.5 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | trans | -63.8 | 140.2 | 174.1 | -81.4 | -169.5 | 171.9 | 0 | 0 | 111.6 | S104 T108 | S104-E106 PolarHBondContact O-N 3.35Å; E106-T108 PolarHBondContact O-N 2.7Å; E106-T108 VanDerWaalsContact O-N 3.1Å; E106-T108 PolarHBondContact OE2-OG1 2.87Å | ||
| 107 | C | 53.4 | Low | 67.6 | Low | 66 Ų | 66 | 84.2 Ų | 84.2 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -70.4 | 0.9 | 173.9 | -77.7 | 0 | 0 | 0 | 0 | 113.5 | C120 R122 | C107-C120 PolarHBondContact SG-SG 3.01Å; C107-R122 PolarHBondContact SG-NH2 2.97Å |
| 108 | T | 50.8 | Low | 67.5 | Low | 75 Ų | 75 | 80.9 Ų | 80.9 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -96 | 127.3 | 179.3 | -4.4 | 0 | 0 | 0 | 0 | 108.6 | E106 N110 | E106-T108 PolarHBondContact O-N 2.7Å; E106-T108 VanDerWaalsContact O-N 3.1Å; E106-T108 PolarHBondContact OE2-OG1 2.87Å; T108-N110 PolarHBondContact O-N 2.82Å |
| 109 | T | 51.3 | Low | 67.6 | Low | 144 Ų | 144 | 80 Ų | 80 | 88% | 0.883 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 9.5 | -179.4 | 12.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 110 | N | 48.5 | Very low | 67.5 | Low | 136 Ų | 136 | 80.8 Ų | 80.8 | 73% | 0.727 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 3.6 | -173.1 | -71.2 | -8.5 | 0 | 0 | 0 | 114.4 | T108 | T108-N110 PolarHBondContact O-N 2.82Š|
| 111 | S | 50.1 | Low | 67.8 | Low | 65 Ų | 65 | 80.5 Ų | 80.5 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | trans | -100.7 | 92.5 | 173.2 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | K113 | S111-K113 PolarHBondContact O-N 2.77Š| ||
| 112 | T | 54.5 | Low | 68.1 | Low | 151 Ų | 151 | 86.1 Ų | 86.1 | 93% | 0.926 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 13.6 | -170.2 | 45 | 0 | 0 | 0 | 0 | 116.9 | ||
| 113 | K | 63.2 | Low | 68.9 | Low | 201 Ų | 201 | 84.2 Ų | 84.2 | 87% | 0.874 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | -12.9 | -168.4 | -133.6 | 176.9 | -175.1 | -178.8 | 0 | 116.6 | S111 | S111-K113 PolarHBondContact O-N 2.77Š|
| 114 | W | 73.3 | Confident | 70.1 | Confident | 114 Ų | 114 | 82 Ų | 82 | 43% | 0.432 | 45% | 0.445 | S | S | . | . | trans | -148 | 117.3 | -178.5 | -171.2 | -90.9 | 0 | 0 | 0 | 112 | H98 D100 I105 | H98-W114 AromaticContact CE1-CE2 3.82Å; H98-W114 AromaticContact CE1-CH2 3.94Å; H98-W114 AromaticContact CE1-CZ2 3.33Å; H98-W114 WeakPolarHBondContact CE1-CZ2 3.25Å; H98-W114 AromaticContact ND1-CE2 3.94Å; H98-W114 AromaticContact ND1-CZ2 3.37Å; H98-W114 WeakPolarHBondContact ND1-CZ2 3.37Å; H98-W114 WeakPolarHBondContact O-CH2 3.34Å; H98-W114 WeakPolarHBondContact O-CZ2 3.47Å; D100-W114 PolarHBondContact OD1-NE1 2.7Å; I105-W114 VanDerWaalsContact CD1-CD1 3.44Å; I105-W114 HydrophobicContact CD1-CG 4.19Å | ||
| 115 | T | 80.4 | Confident | 71.7 | Confident | 71 Ų | 71 | 81.9 Ų | 81.9 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | trans | -102.3 | 113.9 | 177.7 | 31.2 | 0 | 0 | 0 | 0 | 108.4 | E148 | T115-E148 WeakPolarHBondContact CB-OE1 3.22Å; T115-E148 WeakPolarHBondContact OG1-CG 3.46Å; T115-E148 PolarHBondContact OG1-OE1 2.69Å | ||
| 116 | P | 85 | Confident | 73.1 | Confident | 29 Ų | 29 | 80.6 Ų | 80.6 | 19% | 0.188 | 44% | 0.435 | C | S | . | . | trans | -73 | 153.3 | -177.9 | 30.6 | -35.3 | 0 | 0 | 0 | 111 | D100 V118 T119 T146 | D100-P116 HydrophobicContact CB-CB 4.24Å; D100-P116 WeakPolarHBondContact OD1-CA 3.49Å; P116-V118 VanDerWaalsContact C-N 3.28Å; P116-V118 PolarHBondContact O-N 3.28Å; P116-T119 HydrophobicContact CG-CG2 4.41Å; P116-T146 WeakPolarHBondContact O-CB 3.45Å; P116-T146 WeakPolarHBondContact O-CG2 3.44Å; P116-T146 PolarHBondContact O-OG1 3.46Å | ||
| 117 | C | 86.6 | Confident | 74.9 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.02 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -62 | -38.1 | 177.2 | -54.9 | 0 | 0 | 0 | 0 | 112 | D100 T146 C149 A152 | D100-C117 PolarHBondContact OD2-N 2.94Å; C117-T146 WeakPolarHBondContact CA-OG1 3.23Å; C117-T146 PolarHBondContact O-N 2.73Å; C117-T146 PolarHBondContact O-OG1 3.16Å; C117-C149 VanDerWaalsContact CA-SG 3.56Å; C117-C149 HydrophobicContact CB-CB 3.64Å; C117-C149 WeakPolarHBondContact CB-SG 3.4Å; C117-C149 WeakPolarHBondContact SG-CB 3.21Å; C117-C149 CovalentContact SG-SG 2.03Å; C117-C149 PolarHBondContact SG-SG 3.38Å; C117-A152 HydrophobicContact CB-CB 4.21Å |
| 118 | V | 87.3 | Confident | 76.9 | Confident | 11 Ų | 11 | 73.8 Ų | 73.8 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -135.6 | 127.2 | 174.6 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | W91 P116 V121 F130 R143 M144 M145 | W91-V118 HydrophobicContact CE3-CG2 3.77Å; W91-V118 HydrophobicContact CH2-CG2 4.4Å; W91-V118 HydrophobicContact CZ3-CG2 3.49Å; W91-V118 VanDerWaalsContact CZ3-CG2 3.49Å; P116-V118 VanDerWaalsContact C-N 3.28Å; P116-V118 PolarHBondContact O-N 3.28Å; V118-V121 HydrophobicContact CB-CG2 3.85Å; V118-V121 HydrophobicContact CG1-CG2 3.56Å; V118-F130 HydrophobicContact CB-CE1 4.49Å; V118-F130 HydrophobicContact CG1-CD1 4.03Å; V118-F130 HydrophobicContact CG1-CD2 4.02Å; V118-F130 HydrophobicContact CG1-CE1 3.82Å; V118-F130 HydrophobicContact CG1-CE2 3.82Å; V118-F130 HydrophobicContact CG1-CG 4.12Å; V118-F130 HydrophobicContact CG1-CZ 3.71Å; V118-F130 HydrophobicContact CG2-CD1 4.44Å; V118-F130 HydrophobicContact CG2-CE1 3.81Å; V118-F130 HydrophobicContact CG2-CZ 4.13Å; V118-R143 HydrophobicContact CG1-CB 4.44Å; V118-M144 WeakPolarHBondContact CA-O 3.22Å; V118-M145 HydrophobicContact CG2-SD 3.96Å |
| 119 | T | 85.8 | Confident | 78.9 | Confident | 44 Ų | 44 | 73.9 Ų | 73.9 | 27% | 0.27 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 142.4 | -179.1 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | P116 V121 M144 T146 | P116-T119 HydrophobicContact CG-CG2 4.41Å; T119-V121 VanDerWaalsContact C-N 3.31Å; T119-V121 PolarHBondContact O-N 2.68Å; T119-M144 PolarHBondContact N-O 2.72Å; T119-M144 PolarHBondContact OG1-N 3.46Å; T119-M144 PolarHBondContact OG1-O 3.3Å; T119-T146 HydrophobicContact CG2-CG2 4.32Å |
| 120 | C | 82.8 | Confident | 80.9 | Confident | 51 Ų | 51 | 67.5 Ų | 67.5 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 29 | 171.5 | -56.2 | 0 | 0 | 0 | 0 | 115.7 | C107 R143 | C107-C120 PolarHBondContact SG-SG 3.01Å; C120-R143 HydrophobicContact CB-CG 4.32Å |
| 121 | V | 85 | Confident | 83.2 | Confident | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | trans | -98.6 | 98.3 | 170.9 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | A95 V118 T119 A127 | A95-V121 HydrophobicContact CB-CG1 4.4Å; V118-V121 HydrophobicContact CB-CG2 3.85Å; V118-V121 HydrophobicContact CG1-CG2 3.56Å; T119-V121 VanDerWaalsContact C-N 3.31Å; T119-V121 PolarHBondContact O-N 2.68Å; V121-A127 HydrophobicContact CG1-CB 3.91Å | ||
| 122 | R | 80.4 | Confident | 85.3 | Confident | 166 Ų | 166 | 59.5 Ų | 59.5 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | trans | -109.4 | -18.5 | -175.6 | -64.8 | -177.9 | 175.3 | 174.1 | -5.7 | 114.6 | C107 S126 | C107-R122 PolarHBondContact SG-NH2 2.97Å; R122-S126 PolarHBondContact N-OG 2.84Å | ||
| 123 | S | 87.9 | Confident | 87.2 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -146.3 | 165.8 | -175.3 | 64.1 | 0 | 0 | 0 | 0 | 111 | T125 S126 A127 | S123-T125 PolarHBondContact O-N 2.78Å; S123-S126 PolarHBondContact N-OG 2.81Å; S123-S126 PolarHBondContact O-N 2.97Å; S123-S126 VanDerWaalsContact O-N 3.1Å; S123-S126 PolarHBondContact O-OG 3.47Å; S123-S126 PolarHBondContact OG-N 2.83Å; S123-S126 PolarHBondContact OG-OG 3.13Å; S123-A127 PolarHBondContact O-N 2.78Å; S123-A127 VanDerWaalsContact O-N 3.12Å |
| 124 | F | 90.9 | Very high | 88.7 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.7 | -39.2 | 172.8 | -179.3 | -99.5 | 0 | 0 | 0 | 112 | L85 A88 M89 W92 S126 A127 F128 | L85-F124 HydrophobicContact CD2-CE1 4.34Å; L85-F124 HydrophobicContact CD2-CZ 4.15Å; A88-F124 HydrophobicContact CB-CE2 4.21Å; A88-F124 HydrophobicContact CB-CZ 4.2Å; M89-F124 HydrophobicContact CB-CE2 4.4Å; W92-F124 HydrophobicContact CB-CD2 4.12Å; W92-F124 HydrophobicContact CG-CD2 4.1Å; F124-S126 VanDerWaalsContact C-N 3.34Å; F124-S126 PolarHBondContact O-N 2.9Å; F124-A127 PolarHBondContact O-N 2.85Å; F124-A127 VanDerWaalsContact O-N 3.16Å; F124-F128 WeakPolarHBondContact O-CB 3.29Å; F124-F128 PolarHBondContact O-N 2.86Å |
| 125 | T | 92.3 | Very high | 89.7 | Confident | 91 Ų | 91 | 39.7 Ų | 39.7 | 56% | 0.558 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.9 | -40.9 | 177.8 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | S123 F128 L129 | S123-T125 PolarHBondContact O-N 2.78Å; T125-F128 PolarHBondContact O-N 2.98Å; T125-L129 WeakPolarHBondContact O-CG 3.09Å; T125-L129 PolarHBondContact O-N 3.1Å |
| 126 | S | 90.8 | Very high | 90.4 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -35.2 | 175.4 | 46.3 | 0 | 0 | 0 | 0 | 113.1 | R122 S123 F124 F128 F130 | R122-S126 PolarHBondContact N-OG 2.84Å; S123-S126 PolarHBondContact N-OG 2.81Å; S123-S126 PolarHBondContact O-N 2.97Å; S123-S126 VanDerWaalsContact O-N 3.1Å; S123-S126 PolarHBondContact O-OG 3.47Å; S123-S126 PolarHBondContact OG-N 2.83Å; S123-S126 PolarHBondContact OG-OG 3.13Å; F124-S126 VanDerWaalsContact C-N 3.34Å; F124-S126 PolarHBondContact O-N 2.9Å; S126-F128 VanDerWaalsContact C-N 3.35Å; S126-F130 WeakPolarHBondContact O-CB 3.44Å; S126-F130 PolarHBondContact O-N 3.16Å |
| 127 | A | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -36.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W91 W92 V121 S123 F124 F130 S131 | W91-A127 HydrophobicContact CB-CB 4.24Å; W92-A127 HydrophobicContact CB-CB 3.95Å; V121-A127 HydrophobicContact CG1-CB 3.91Å; S123-A127 PolarHBondContact O-N 2.78Å; S123-A127 VanDerWaalsContact O-N 3.12Å; F124-A127 PolarHBondContact O-N 2.85Å; F124-A127 VanDerWaalsContact O-N 3.16Å; A127-F130 PolarHBondContact O-N 3.32Å; A127-S131 WeakPolarHBondContact O-CB 3.48Å; A127-S131 PolarHBondContact O-N 2.81Å |
| 128 | F | 94.6 | Very high | 91.2 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 174.5 | -179.4 | -105.8 | 0 | 0 | 0 | 112.7 | W84 L85 A88 F124 T125 S126 S131 I132 | W84-F128 HydrophobicContact CB-CD2 4.49Å; W84-F128 HydrophobicContact CB-CE2 3.79Å; W84-F128 HydrophobicContact CB-CZ 4.47Å; L85-F128 HydrophobicContact CD2-CD2 3.9Å; L85-F128 HydrophobicContact CD2-CE2 3.71Å; L85-F128 HydrophobicContact CG-CE2 4.02Å; A88-F128 VanDerWaalsContact CB-CA 3.5Å; A88-F128 HydrophobicContact CB-CB 3.89Å; A88-F128 HydrophobicContact CB-CD2 3.8Å; A88-F128 HydrophobicContact CB-CG 4.35Å; F124-F128 WeakPolarHBondContact O-CB 3.29Å; F124-F128 PolarHBondContact O-N 2.86Å; T125-F128 PolarHBondContact O-N 2.98Å; S126-F128 VanDerWaalsContact C-N 3.35Å; F128-S131 PolarHBondContact O-N 3.02Å; F128-I132 HydrophobicContact CD1-CD1 3.97Å; F128-I132 HydrophobicContact CE1-CD1 3.43Å; F128-I132 VanDerWaalsContact CE1-CD1 3.43Å; F128-I132 HydrophobicContact CE1-CG1 4.49Å; F128-I132 HydrophobicContact CE2-CD1 4.26Å; F128-I132 HydrophobicContact CZ-CD1 3.6Å; F128-I132 HydrophobicContact CZ-CG1 4.39Å; F128-I132 WeakPolarHBondContact O-CG1 3.34Å; F128-I132 PolarHBondContact O-N 3.47Å |
| 129 | L | 93.8 | Very high | 91.2 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 40% | 0.398 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 173.7 | -70 | 173.1 | 0 | 0 | 0 | 111.3 | T125 S131 I132 E133 | T125-L129 WeakPolarHBondContact O-CG 3.09Å; T125-L129 PolarHBondContact O-N 3.1Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.06Å; L129-I132 PolarHBondContact O-N 2.91Å; L129-E133 VanDerWaalsContact O-CG 3.29Å; L129-E133 WeakPolarHBondContact O-CG 3.43Å; L129-E133 PolarHBondContact O-N 3.35Å |
| 130 | F | 93.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 176 | -176.3 | -114.6 | 0 | 0 | 0 | 112.4 | W91 V118 S126 A127 I132 E133 V134 R143 | W91-F130 AromaticContact CD2-CD1 3.91Å; W91-F130 HydrophobicContact CD2-CD1 3.91Å; W91-F130 AromaticContact CD2-CE1 3.78Å; W91-F130 HydrophobicContact CD2-CE1 3.78Å; W91-F130 AromaticContact CE2-CE1 3.66Å; W91-F130 HydrophobicContact CE3-CD1 4.29Å; W91-F130 AromaticContact CE3-CE1 3.91Å; W91-F130 HydrophobicContact CE3-CE1 3.91Å; W91-F130 HydrophobicContact CG-CD1 4.1Å; W91-F130 HydrophobicContact CG-CE1 4.44Å; W91-F130 AromaticContact CH2-CE1 3.87Å; W91-F130 HydrophobicContact CH2-CE1 3.87Å; W91-F130 AromaticContact CZ2-CE1 3.74Å; W91-F130 HydrophobicContact CZ2-CE1 3.74Å; W91-F130 AromaticContact CZ3-CE1 3.93Å; W91-F130 HydrophobicContact CZ3-CE1 3.93Å; V118-F130 HydrophobicContact CB-CE1 4.49Å; V118-F130 HydrophobicContact CG1-CD1 4.03Å; V118-F130 HydrophobicContact CG1-CD2 4.02Å; V118-F130 HydrophobicContact CG1-CE1 3.82Å; V118-F130 HydrophobicContact CG1-CE2 3.82Å; V118-F130 HydrophobicContact CG1-CG 4.12Å; V118-F130 HydrophobicContact CG1-CZ 3.71Å; V118-F130 HydrophobicContact CG2-CD1 4.44Å; V118-F130 HydrophobicContact CG2-CE1 3.81Å; V118-F130 HydrophobicContact CG2-CZ 4.13Å; S126-F130 WeakPolarHBondContact O-CB 3.44Å; S126-F130 PolarHBondContact O-N 3.16Å; A127-F130 PolarHBondContact O-N 3.32Å; F130-I132 VanDerWaalsContact C-N 3.3Å; F130-I132 PolarHBondContact O-N 3.49Å; F130-E133 WeakPolarHBondContact O-CB 3.27Å; F130-E133 PolarHBondContact O-N 3.48Å; F130-V134 HydrophobicContact CD1-CG2 4.33Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE1-CG2 3.94Å; F130-V134 HydrophobicContact CE2-CG2 3.83Å; F130-V134 HydrophobicContact CG-CG2 4.48Å; F130-V134 HydrophobicContact CZ-CG2 3.67Å; F130-V134 WeakPolarHBondContact O-CG2 3.47Å; F130-V134 PolarHBondContact O-N 2.89Å; F130-R143 HydrophobicContact CD2-CB 3.68Å; F130-R143 HydrophobicContact CE2-CB 4.24Å |
| 131 | S | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | W84 F87 A88 A127 F128 L129 Q135 Q159 | W84-S131 PolarHBondContact O-OG 2.93Å; F87-S131 WeakPolarHBondContact CB-OG 3.5Å; A88-S131 PolarHBondContact N-OG 2.76Å; A127-S131 WeakPolarHBondContact O-CB 3.48Å; A127-S131 PolarHBondContact O-N 2.81Å; F128-S131 PolarHBondContact O-N 3.02Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.06Å; S131-Q135 WeakPolarHBondContact O-CB 3.08Å; S131-Q135 PolarHBondContact O-N 2.89Å; S131-Q159 PolarHBondContact O-NE2 3.06Å; S131-Q159 PolarHBondContact OG-NE2 2.93Å; S131-Q159 VanDerWaalsContact OG-NE2 3.14Å |
| 132 | I | 95.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69 | -46.2 | 174.4 | -67.1 | 171.1 | 0 | 0 | 0 | 110.5 | W84 F128 L129 F130 V134 Q135 V136 I138 | W84-I132 HydrophobicContact CB-CG1 4.12Å; W84-I132 HydrophobicContact CD2-CD1 4.3Å; W84-I132 HydrophobicContact CD2-CG1 3.74Å; W84-I132 HydrophobicContact CE3-CD1 3.96Å; W84-I132 HydrophobicContact CE3-CG1 3.93Å; W84-I132 HydrophobicContact CG-CG1 3.82Å; W84-I132 HydrophobicContact CZ3-CD1 4.43Å; F128-I132 HydrophobicContact CD1-CD1 3.97Å; F128-I132 HydrophobicContact CE1-CD1 3.43Å; F128-I132 VanDerWaalsContact CE1-CD1 3.43Å; F128-I132 HydrophobicContact CE1-CG1 4.49Å; F128-I132 HydrophobicContact CE2-CD1 4.26Å; F128-I132 HydrophobicContact CZ-CD1 3.6Å; F128-I132 HydrophobicContact CZ-CG1 4.39Å; F128-I132 WeakPolarHBondContact O-CG1 3.34Å; F128-I132 PolarHBondContact O-N 3.47Å; L129-I132 PolarHBondContact O-N 2.91Å; F130-I132 VanDerWaalsContact C-N 3.3Å; F130-I132 PolarHBondContact O-N 3.49Å; I132-V134 PolarHBondContact O-N 2.97Å; I132-Q135 PolarHBondContact O-N 3.34Å; I132-V136 HydrophobicContact CG2-CG2 4.2Å; I132-V136 WeakPolarHBondContact O-CB 3.39Å; I132-V136 PolarHBondContact O-N 2.94Å; I132-I138 HydrophobicContact CG2-CD1 4.33Å |
| 133 | E | 94.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.5 | -41 | -180 | -73.4 | 174.6 | -137.1 | 0 | 0 | 111.7 | L129 F130 T137 I138 G139 F140 R143 | L129-E133 VanDerWaalsContact O-CG 3.29Å; L129-E133 WeakPolarHBondContact O-CG 3.43Å; L129-E133 PolarHBondContact O-N 3.35Å; F130-E133 WeakPolarHBondContact O-CB 3.27Å; F130-E133 PolarHBondContact O-N 3.48Å; E133-T137 CarbonylContact O-C 3.48Å; E133-T137 WeakPolarHBondContact O-CA 3.4Å; E133-T137 PolarHBondContact O-N 2.91Å; E133-I138 PolarHBondContact O-N 3.03Å; E133-G139 PolarHBondContact O-N 2.88Å; E133-F140 HydrophobicContact CG-CD2 3.63Å; E133-F140 HydrophobicContact CG-CE2 4.11Å; E133-R143 IonicContact OE1-NH1 2.98Å; E133-R143 PolarHBondContact OE1-NH1 3.33Å; E133-R143 VanDerWaalsContact OE1-NH1 3.11Å |
| 134 | V | 94.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.8 | -55.3 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | F130 I132 V136 T137 L156 Q159 | F130-V134 HydrophobicContact CD1-CG2 4.33Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE1-CG2 3.94Å; F130-V134 HydrophobicContact CE2-CG2 3.83Å; F130-V134 HydrophobicContact CG-CG2 4.48Å; F130-V134 HydrophobicContact CZ-CG2 3.67Å; F130-V134 WeakPolarHBondContact O-CG2 3.47Å; F130-V134 PolarHBondContact O-N 2.89Å; I132-V134 PolarHBondContact O-N 2.97Å; V134-V136 PolarHBondContact O-N 3.37Å; V134-T137 PolarHBondContact O-N 2.85Å; V134-L156 HydrophobicContact CB-CD1 4.44Å; V134-L156 HydrophobicContact CG1-CD1 3.35Å; V134-L156 HydrophobicContact CG2-CD1 4.19Å; V134-Q159 HydrophobicContact CG1-CG 4.26Å |
| 135 | Q | 94.9 | Very high | 91.3 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.3 | -34.1 | -170.1 | -167.4 | 170.7 | -26.7 | 0 | 0 | 113.6 | S83 S131 I132 T137 Q159 | S83-Q135 PolarHBondContact OG-NE2 3.32Å; S131-Q135 WeakPolarHBondContact O-CB 3.08Å; S131-Q135 PolarHBondContact O-N 2.89Å; I132-Q135 PolarHBondContact O-N 3.34Å; Q135-T137 VanDerWaalsContact C-N 3.29Å; Q135-Q159 HydrophobicContact CB-CG 4.34Å |
| 136 | V | 94.2 | Very high | 91.1 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.7 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | W84 I132 V134 I138 | W84-V136 HydrophobicContact CZ2-CG2 3.65Å; I132-V136 HydrophobicContact CG2-CG2 4.2Å; I132-V136 WeakPolarHBondContact O-CB 3.39Å; I132-V136 PolarHBondContact O-N 2.94Å; V134-V136 PolarHBondContact O-N 3.37Å; V136-I138 VanDerWaalsContact C-N 3.31Å; V136-I138 HydrophobicContact CB-CD1 4.31Å; V136-I138 HydrophobicContact CB-CG1 4.13Å; V136-I138 HydrophobicContact CG1-CD1 4.24Å; V136-I138 HydrophobicContact CG1-CG1 4.02Å; V136-I138 PolarHBondContact O-N 3.2Å |
| 137 | T | 93.8 | Very high | 90.9 | Very high | 116 Ų | 116 | 57.9 Ų | 57.9 | 71% | 0.712 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 37.7 | 178.6 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | E133 V134 Q135 | E133-T137 CarbonylContact O-C 3.48Å; E133-T137 WeakPolarHBondContact O-CA 3.4Å; E133-T137 PolarHBondContact O-N 2.91Å; V134-T137 PolarHBondContact O-N 2.85Å; Q135-T137 VanDerWaalsContact C-N 3.29Å |
| 138 | I | 94.8 | Very high | 90.5 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 42% | 0.415 | 35% | 0.353 | S | S | . | . | trans | -76.7 | -49 | 176.5 | -57 | 171.6 | 0 | 0 | 0 | 110.2 | I132 E133 V136 F140 | I132-I138 HydrophobicContact CG2-CD1 4.33Å; E133-I138 PolarHBondContact O-N 3.03Å; V136-I138 VanDerWaalsContact C-N 3.31Å; V136-I138 HydrophobicContact CB-CD1 4.31Å; V136-I138 HydrophobicContact CB-CG1 4.13Å; V136-I138 HydrophobicContact CG1-CD1 4.24Å; V136-I138 HydrophobicContact CG1-CG1 4.02Å; V136-I138 PolarHBondContact O-N 3.2Å; I138-F140 HydrophobicContact CG2-CD1 3.86Å; I138-F140 HydrophobicContact CG2-CD2 4.15Å; I138-F140 HydrophobicContact CG2-CE1 3.48Å; I138-F140 VanDerWaalsContact CG2-CE1 3.48Å; I138-F140 HydrophobicContact CG2-CE2 3.79Å; I138-F140 HydrophobicContact CG2-CG 4.18Å; I138-F140 HydrophobicContact CG2-CZ 3.45Å; I138-F140 VanDerWaalsContact CG2-CZ 3.45Å | ||
| 139 | G | 87.1 | Confident | 90.2 | Very high | 54 Ų | 54 | 60.9 Ų | 60.9 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | trans | 53.3 | 65.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E133 G141 | E133-G139 PolarHBondContact O-N 2.88Å; G139-G141 PolarHBondContact O-N 3.09Å; G139-G141 VanDerWaalsContact O-N 3.08Å | ||
| 140 | F | 87.8 | Confident | 90 | Very high | 154 Ų | 154 | 61.7 Ų | 61.7 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | trans | -62.8 | -17.5 | -179.2 | -67.3 | -60.7 | 0 | 0 | 0 | 113.9 | E133 I138 G142 | E133-F140 HydrophobicContact CG-CD2 3.63Å; E133-F140 HydrophobicContact CG-CE2 4.11Å; I138-F140 HydrophobicContact CG2-CD1 3.86Å; I138-F140 HydrophobicContact CG2-CD2 4.15Å; I138-F140 HydrophobicContact CG2-CE1 3.48Å; I138-F140 VanDerWaalsContact CG2-CE1 3.48Å; I138-F140 HydrophobicContact CG2-CE2 3.79Å; I138-F140 HydrophobicContact CG2-CG 4.18Å; I138-F140 HydrophobicContact CG2-CZ 3.45Å; I138-F140 VanDerWaalsContact CG2-CZ 3.45Å; F140-G142 VanDerWaalsContact C-N 3.27Å; F140-G142 PolarHBondContact O-N 2.94Å | ||
| 141 | G | 83.3 | Confident | 89.9 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 82.7 | -7.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | G139 R143 | G139-G141 PolarHBondContact O-N 3.09Å; G139-G141 VanDerWaalsContact O-N 3.08Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 2.85Å |
| 142 | G | 83.1 | Confident | 89.7 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 53% | 0.526 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -73 | -17.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F140 | F140-G142 VanDerWaalsContact C-N 3.27Å; F140-G142 PolarHBondContact O-N 2.94Å |
| 143 | R | 86.8 | Confident | 89.6 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 23% | 0.234 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -126.8 | 122.9 | 172.4 | -63.7 | 178.5 | -176.7 | 83.9 | 9 | 107.6 | V118 C120 F130 E133 G141 | V118-R143 HydrophobicContact CG1-CB 4.44Å; C120-R143 HydrophobicContact CB-CG 4.32Å; F130-R143 HydrophobicContact CD2-CB 3.68Å; F130-R143 HydrophobicContact CE2-CB 4.24Å; E133-R143 IonicContact OE1-NH1 2.98Å; E133-R143 PolarHBondContact OE1-NH1 3.33Å; E133-R143 VanDerWaalsContact OE1-NH1 3.11Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 2.85Å |
| 144 | M | 87 | Confident | 89.5 | Confident | 131 Ų | 131 | 71.9 Ų | 71.9 | 65% | 0.645 | 41% | 0.414 | S | S | * | . | trans | -131.5 | 141.4 | -174.7 | -173.9 | 167.4 | 171.7 | 0 | 0 | 110.1 | V118 T119 | V118-M144 WeakPolarHBondContact CA-O 3.22Å; T119-M144 PolarHBondContact N-O 2.72Å; T119-M144 PolarHBondContact OG1-N 3.46Å; T119-M144 PolarHBondContact OG1-O 3.3Å | ||
| 145 | M | 88.3 | Confident | 89.5 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 18% | 0.177 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 139.5 | 175.4 | -179 | 74.1 | -155 | 0 | 0 | 110.1 | W91 V118 A152 I153 L156 | W91-M145 HydrophobicContact CH2-SD 3.71Å; W91-M145 HydrophobicContact CZ3-SD 3.86Å; V118-M145 HydrophobicContact CG2-SD 3.96Å; M145-A152 HydrophobicContact CE-CB 3.12Å; M145-A152 HydrophobicContact SD-CB 3.83Å; M145-I153 HydrophobicContact CE-CG1 3.73Å; M145-L156 HydrophobicContact CG-CD2 4.42Å |
| 146 | T | 87.1 | Confident | 89.5 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 17% | 0.166 | 42% | 0.417 | C | S | . | . | trans | -109.4 | 163.2 | 173.9 | 65.9 | 0 | 0 | 0 | 0 | 111.5 | P116 C117 T119 E148 | P116-T146 WeakPolarHBondContact O-CB 3.45Å; P116-T146 WeakPolarHBondContact O-CG2 3.44Å; P116-T146 PolarHBondContact O-OG1 3.46Å; C117-T146 WeakPolarHBondContact CA-OG1 3.23Å; C117-T146 PolarHBondContact O-N 2.73Å; C117-T146 PolarHBondContact O-OG1 3.16Å; T119-T146 HydrophobicContact CG2-CG2 4.32Å; T146-E148 VanDerWaalsContact C-N 3.3Å; T146-E148 PolarHBondContact O-N 3.07Å | ||
| 147 | E | 86.7 | Confident | 89.6 | Confident | 161 Ų | 161 | 73.7 Ų | 73.7 | 75% | 0.752 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5.8 | -179.3 | 58.8 | -92.7 | -149.5 | 0 | 0 | 115.3 | C149 | E147-C149 VanDerWaalsContact C-N 3.35Å; E147-C149 PolarHBondContact O-N 2.79Å |
| 148 | E | 84.8 | Confident | 89.7 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 47% | 0.472 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -34.5 | -172.1 | -65 | -68.8 | 172.4 | 0 | 0 | 113.8 | T115 T146 P150 | T115-E148 WeakPolarHBondContact CB-OE1 3.22Å; T115-E148 WeakPolarHBondContact OG1-CG 3.46Å; T115-E148 PolarHBondContact OG1-OE1 2.69Å; T146-E148 VanDerWaalsContact C-N 3.3Å; T146-E148 PolarHBondContact O-N 3.07Å; E148-P150 VanDerWaalsContact O-CD 3.31Å; E148-P150 WeakPolarHBondContact O-CD 3.16Å |
| 149 | C | 87.1 | Confident | 89.8 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 6% | 0.061 | 39% | 0.391 | C | S | . | . | trans | -113.3 | 99.5 | -169.4 | -55 | 0 | 0 | 0 | 0 | 111.7 | H98 C117 E147 L151 A152 I153 | H98-C149 VanDerWaalsContact CD2-SG 3.59Å; H98-C149 PolarHBondContact NE2-SG 2.96Å; C117-C149 VanDerWaalsContact CA-SG 3.56Å; C117-C149 HydrophobicContact CB-CB 3.64Å; C117-C149 WeakPolarHBondContact CB-SG 3.4Å; C117-C149 WeakPolarHBondContact SG-CB 3.21Å; C117-C149 CovalentContact SG-SG 2.03Å; C117-C149 PolarHBondContact SG-SG 3.38Å; E147-C149 VanDerWaalsContact C-N 3.35Å; E147-C149 PolarHBondContact O-N 2.79Å; C149-L151 PolarHBondContact O-N 2.98Å; C149-A152 HydrophobicContact CB-CB 3.87Å; C149-A152 WeakPolarHBondContact O-CB 3.19Å; C149-A152 PolarHBondContact O-N 3.34Å; C149-A152 VanDerWaalsContact O-N 3.1Å; C149-I153 PolarHBondContact O-N 3.26Å | ||
| 150 | P | 90.1 | Very high | 90.2 | Very high | 93 Ų | 93 | 69.1 Ų | 69.1 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.1 | -30.8 | 178.3 | -24.9 | 33.8 | 0 | 0 | 0 | 113.8 | E148 A152 I153 T154 | E148-P150 VanDerWaalsContact O-CD 3.31Å; E148-P150 WeakPolarHBondContact O-CD 3.16Å; P150-A152 VanDerWaalsContact C-N 3.33Å; P150-A152 PolarHBondContact O-N 3.24Å; P150-I153 PolarHBondContact O-N 3.28Å; P150-T154 PolarHBondContact O-N 2.84Å; P150-T154 PolarHBondContact O-OG1 3Å |
| 151 | L | 91.1 | Very high | 90.6 | Very high | 110 Ų | 110 | 66.1 Ų | 66.1 | 58% | 0.576 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 176.2 | -177.2 | 65.6 | 0 | 0 | 0 | 111.2 | V94 C149 I153 T154 V155 | V94-L151 HydrophobicContact CG2-CD2 3.96Å; V94-L151 HydrophobicContact CG2-CG 4.24Å; C149-L151 PolarHBondContact O-N 2.98Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 2.81Å; L151-T154 WeakPolarHBondContact O-CB 3.06Å; L151-T154 PolarHBondContact O-N 3.44Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.09Å |
| 152 | A | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W91 V94 C117 M145 C149 P150 T154 V155 L156 | W91-A152 HydrophobicContact CH2-CB 4.18Å; W91-A152 VanDerWaalsContact CH2-O 3.27Å; W91-A152 WeakPolarHBondContact CH2-O 3.36Å; W91-A152 HydrophobicContact CZ3-CB 3.72Å; V94-A152 HydrophobicContact CG1-CB 4.01Å; C117-A152 HydrophobicContact CB-CB 4.21Å; M145-A152 HydrophobicContact CE-CB 3.12Å; M145-A152 HydrophobicContact SD-CB 3.83Å; C149-A152 HydrophobicContact CB-CB 3.87Å; C149-A152 WeakPolarHBondContact O-CB 3.19Å; C149-A152 PolarHBondContact O-N 3.34Å; C149-A152 VanDerWaalsContact O-N 3.1Å; P150-A152 VanDerWaalsContact C-N 3.33Å; P150-A152 PolarHBondContact O-N 3.24Å; A152-T154 VanDerWaalsContact C-N 3.31Å; A152-T154 PolarHBondContact O-N 3.39Å; A152-V155 PolarHBondContact O-N 2.87Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 PolarHBondContact O-N 3.45Å |
| 153 | I | 93.5 | Very high | 91.8 | Very high | 69 Ų | 69 | 63.6 Ų | 63.6 | 35% | 0.354 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 174.1 | -60.4 | 173.8 | 0 | 0 | 0 | 110.1 | M145 C149 P150 L151 L156 I157 | M145-I153 HydrophobicContact CE-CG1 3.73Å; C149-I153 PolarHBondContact O-N 3.26Å; P150-I153 PolarHBondContact O-N 3.28Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 2.81Å; I153-L156 WeakPolarHBondContact O-CB 3.44Å; I153-L156 PolarHBondContact O-N 3.23Å; I153-I157 HydrophobicContact CG2-CD1 4.02Å; I153-I157 VanDerWaalsContact O-CG1 3.32Å; I153-I157 WeakPolarHBondContact O-CG1 3.08Å; I153-I157 PolarHBondContact O-N 3.29Å |
| 154 | T | 93.1 | Very high | 92.2 | Very high | 88 Ų | 88 | 66.2 Ų | 66.2 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | P150 L151 A152 L156 I157 L158 | P150-T154 PolarHBondContact O-N 2.84Å; P150-T154 PolarHBondContact O-OG1 3Å; L151-T154 WeakPolarHBondContact O-CB 3.06Å; L151-T154 PolarHBondContact O-N 3.44Å; A152-T154 VanDerWaalsContact C-N 3.31Å; A152-T154 PolarHBondContact O-N 3.39Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 2.73Å; T154-I157 PolarHBondContact O-N 2.95Å; T154-L158 WeakPolarHBondContact O-CB 3.48Å; T154-L158 PolarHBondContact O-N 2.73Å |
| 155 | V | 94.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | M90 W91 V94 L151 A152 L158 Q159 | M90-V155 HydrophobicContact CB-CG1 4.34Å; M90-V155 HydrophobicContact CE-CG2 4.47Å; W91-V155 HydrophobicContact CD2-CG1 4.32Å; W91-V155 HydrophobicContact CZ2-CB 4.44Å; W91-V155 HydrophobicContact CZ2-CG1 3.97Å; V94-V155 HydrophobicContact CG2-CG2 4.34Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.09Å; A152-V155 PolarHBondContact O-N 2.87Å; V155-L158 PolarHBondContact O-N 3.44Å; V155-Q159 VanDerWaalsContact O-CB 3.24Å; V155-Q159 WeakPolarHBondContact O-CB 3.35Å; V155-Q159 PolarHBondContact O-N 2.93Å |
| 156 | L | 94.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 64.9 Ų | 64.9 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59 | -48.3 | 175.3 | 176.7 | 63.1 | 0 | 0 | 0 | 111.9 | W91 V134 M145 A152 I153 T154 Q159 N160 | W91-L156 HydrophobicContact CH2-CB 4.12Å; W91-L156 HydrophobicContact CZ2-CB 4Å; W91-L156 HydrophobicContact CZ2-CD1 4.48Å; V134-L156 HydrophobicContact CB-CD1 4.44Å; V134-L156 HydrophobicContact CG1-CD1 3.35Å; V134-L156 HydrophobicContact CG2-CD1 4.19Å; M145-L156 HydrophobicContact CG-CD2 4.42Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 PolarHBondContact O-N 3.45Å; I153-L156 WeakPolarHBondContact O-CB 3.44Å; I153-L156 PolarHBondContact O-N 3.23Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 2.73Å; L156-Q159 PolarHBondContact O-N 3Å; L156-N160 PolarHBondContact O-N 3.34Å; L156-N160 PolarHBondContact O-ND2 3.47Å; L156-N160 VanDerWaalsContact O-ND2 3.11Å |
| 157 | I | 95.5 | Very high | 93.2 | Very high | 93 Ų | 93 | 67.6 Ų | 67.6 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 178.3 | -67.3 | 164.9 | 0 | 0 | 0 | 110.5 | I153 T154 Q159 N160 I161 | I153-I157 HydrophobicContact CG2-CD1 4.02Å; I153-I157 VanDerWaalsContact O-CG1 3.32Å; I153-I157 WeakPolarHBondContact O-CG1 3.08Å; I153-I157 PolarHBondContact O-N 3.29Å; T154-I157 PolarHBondContact O-N 2.95Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 3.35Å; I157-N160 PolarHBondContact O-N 2.88Å; I157-I161 HydrophobicContact CG2-CD1 3.86Å; I157-I161 WeakPolarHBondContact O-CG1 3.45Å; I157-I161 PolarHBondContact O-N 3.26Å |
| 158 | L | 95.9 | Very high | 93.5 | Very high | 97 Ų | 97 | 63 Ų | 63 | 51% | 0.508 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 178.6 | -179.1 | 64.6 | 0 | 0 | 0 | 111.7 | F87 T154 V155 N160 I161 V162 | F87-L158 HydrophobicContact CE1-CG 4.49Å; T154-L158 WeakPolarHBondContact O-CB 3.48Å; T154-L158 PolarHBondContact O-N 2.73Å; V155-L158 PolarHBondContact O-N 3.44Å; L158-N160 VanDerWaalsContact C-N 3.35Å; L158-N160 PolarHBondContact O-N 3.34Å; L158-I161 PolarHBondContact O-N 3.11Å; L158-V162 HydrophobicContact CD1-CG2 4.11Å; L158-V162 HydrophobicContact CG-CG2 4.44Å; L158-V162 WeakPolarHBondContact O-CB 3.36Å; L158-V162 WeakPolarHBondContact O-CG2 2.81Å; L158-V162 PolarHBondContact O-N 2.98Å |
| 159 | Q | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 178.1 | -178.5 | 172.9 | 8.1 | 0 | 0 | 112.1 | F87 S131 V134 Q135 V155 L156 I157 G163 | F87-Q159 HydrophobicContact CB-CG 4.24Å; F87-Q159 HydrophobicContact CD1-CB 3.65Å; F87-Q159 HydrophobicContact CD1-CG 3.82Å; F87-Q159 HydrophobicContact CD2-CB 4.39Å; F87-Q159 HydrophobicContact CD2-CG 3.8Å; F87-Q159 HydrophobicContact CE1-CB 3.62Å; F87-Q159 HydrophobicContact CE1-CG 4.1Å; F87-Q159 HydrophobicContact CE2-CB 4.37Å; F87-Q159 HydrophobicContact CE2-CG 4.09Å; F87-Q159 HydrophobicContact CG-CB 4.07Å; F87-Q159 HydrophobicContact CG-CG 3.68Å; F87-Q159 HydrophobicContact CZ-CB 4.01Å; F87-Q159 HydrophobicContact CZ-CG 4.24Å; S131-Q159 PolarHBondContact O-NE2 3.06Å; S131-Q159 PolarHBondContact OG-NE2 2.93Å; S131-Q159 VanDerWaalsContact OG-NE2 3.14Å; V134-Q159 HydrophobicContact CG1-CG 4.26Å; Q135-Q159 HydrophobicContact CB-CG 4.34Å; V155-Q159 VanDerWaalsContact O-CB 3.24Å; V155-Q159 WeakPolarHBondContact O-CB 3.35Å; V155-Q159 PolarHBondContact O-N 2.93Å; L156-Q159 PolarHBondContact O-N 3Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 3.35Å; Q159-G163 WeakPolarHBondContact O-CA 2.9Å; Q159-G163 PolarHBondContact O-N 3Å |
| 160 | N | 95.7 | Very high | 94.1 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 177.4 | -74.2 | -36.5 | 0 | 0 | 0 | 111.6 | L156 I157 L158 G163 L164 | L156-N160 PolarHBondContact O-N 3.34Å; L156-N160 PolarHBondContact O-ND2 3.47Å; L156-N160 VanDerWaalsContact O-ND2 3.11Å; I157-N160 PolarHBondContact O-N 2.88Å; L158-N160 VanDerWaalsContact C-N 3.35Å; L158-N160 PolarHBondContact O-N 3.34Å; N160-G163 PolarHBondContact O-N 3.26Å; N160-L164 WeakPolarHBondContact O-CB 3.33Å; N160-L164 WeakPolarHBondContact O-CG 3.34Å; N160-L164 PolarHBondContact O-N 3.25Å |
| 161 | I | 96.5 | Very high | 94.2 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.1 | -50.6 | 178.8 | -66.3 | 168.2 | 0 | 0 | 0 | 110.8 | I157 L158 G163 L164 I165 | I157-I161 HydrophobicContact CG2-CD1 3.86Å; I157-I161 WeakPolarHBondContact O-CG1 3.45Å; I157-I161 PolarHBondContact O-N 3.26Å; L158-I161 PolarHBondContact O-N 3.11Å; I161-G163 PolarHBondContact O-N 3.47Å; I161-L164 PolarHBondContact O-N 2.76Å; I161-I165 HydrophobicContact CG2-CD1 3.95Å; I161-I165 WeakPolarHBondContact O-CG1 3.31Å; I161-I165 PolarHBondContact O-N 2.76Å |
| 162 | V | 95.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 30% | 0.303 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | -179.8 | 173 | 0 | 0 | 0 | 0 | 111.1 | F87 L158 L164 I165 I166 | F87-V162 HydrophobicContact CE2-CB 4.26Å; F87-V162 HydrophobicContact CE2-CG1 4.08Å; F87-V162 HydrophobicContact CZ-CB 4.03Å; F87-V162 HydrophobicContact CZ-CG1 4.2Å; F87-V162 HydrophobicContact CZ-CG2 4.35Å; L158-V162 HydrophobicContact CD1-CG2 4.11Å; L158-V162 HydrophobicContact CG-CG2 4.44Å; L158-V162 WeakPolarHBondContact O-CB 3.36Å; L158-V162 WeakPolarHBondContact O-CG2 2.81Å; L158-V162 PolarHBondContact O-N 2.98Å; V162-L164 PolarHBondContact O-N 3.39Å; V162-I165 PolarHBondContact O-N 3.44Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.39Å; V162-I166 WeakPolarHBondContact O-CG1 3.26Å; V162-I166 PolarHBondContact O-N 2.88Å |
| 163 | G | 95.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q159 N160 I161 I166 N167 | Q159-G163 WeakPolarHBondContact O-CA 2.9Å; Q159-G163 PolarHBondContact O-N 3Å; N160-G163 PolarHBondContact O-N 3.26Å; I161-G163 PolarHBondContact O-N 3.47Å; G163-I166 PolarHBondContact O-N 3.48Å; G163-N167 WeakPolarHBondContact O-CB 3.12Å; G163-N167 PolarHBondContact O-N 3.16Å |
| 164 | L | 95.6 | Very high | 94.2 | Very high | 118 Ų | 118 | 59.8 Ų | 59.8 | 62% | 0.618 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.6 | -41.8 | 176.2 | -72.8 | 171.7 | 0 | 0 | 0 | 112.1 | N160 I161 V162 N167 A168 | N160-L164 WeakPolarHBondContact O-CB 3.33Å; N160-L164 WeakPolarHBondContact O-CG 3.34Å; N160-L164 PolarHBondContact O-N 3.25Å; I161-L164 PolarHBondContact O-N 2.76Å; V162-L164 PolarHBondContact O-N 3.39Å; L164-N167 PolarHBondContact O-N 2.94Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.3Å; L164-A168 PolarHBondContact O-N 2.83Å |
| 165 | I | 95.4 | Very high | 94.1 | Very high | 101 Ų | 101 | 62.3 Ų | 62.3 | 52% | 0.518 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 177.1 | -68.8 | 167.2 | 0 | 0 | 0 | 110.7 | I161 V162 N167 A168 V169 | I161-I165 HydrophobicContact CG2-CD1 3.95Å; I161-I165 WeakPolarHBondContact O-CG1 3.31Å; I161-I165 PolarHBondContact O-N 2.76Å; V162-I165 PolarHBondContact O-N 3.44Å; I165-N167 VanDerWaalsContact C-N 3.31Å; I165-N167 PolarHBondContact O-N 2.92Å; I165-A168 PolarHBondContact O-N 3.36Å; I165-V169 HydrophobicContact CG2-CG2 4.45Å; I165-V169 WeakPolarHBondContact O-CG2 3.43Å; I165-V169 PolarHBondContact O-N 3.31Å |
| 166 | I | 94 | Very high | 93.9 | Very high | 37 Ų | 37 | 66 Ų | 66 | 19% | 0.19 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 178.6 | -67.6 | 169.4 | 0 | 0 | 0 | 110.3 | F80 V162 G163 V169 M170 | F80-I166 HydrophobicContact CD1-CG2 4.32Å; F80-I166 HydrophobicContact CE1-CG2 4.01Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.39Å; V162-I166 WeakPolarHBondContact O-CG1 3.26Å; V162-I166 PolarHBondContact O-N 2.88Å; G163-I166 PolarHBondContact O-N 3.48Å; I166-V169 PolarHBondContact O-N 2.91Å; I166-M170 WeakPolarHBondContact O-CB 3.29Å; I166-M170 PolarHBondContact O-N 3.47Å |
| 167 | N | 93.9 | Very high | 93.7 | Very high | 85 Ų | 85 | 64.6 Ų | 64.6 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 178.9 | -170.4 | 35.5 | 0 | 0 | 0 | 111.9 | G163 L164 I165 M170 L171 | G163-N167 WeakPolarHBondContact O-CB 3.12Å; G163-N167 PolarHBondContact O-N 3.16Å; L164-N167 PolarHBondContact O-N 2.94Å; I165-N167 VanDerWaalsContact C-N 3.31Å; I165-N167 PolarHBondContact O-N 2.92Å; N167-M170 PolarHBondContact O-N 2.85Å; N167-L171 WeakPolarHBondContact O-CB 3.37Å; N167-L171 PolarHBondContact O-N 3.48Å |
| 168 | A | 94.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 63.3 Ų | 63.3 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L164 I165 M170 L171 G172 | L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.3Å; L164-A168 PolarHBondContact O-N 2.83Å; I165-A168 PolarHBondContact O-N 3.36Å; A168-M170 PolarHBondContact O-N 3.03Å; A168-L171 PolarHBondContact O-N 3.38Å; A168-G172 PolarHBondContact O-N 2.62Å |
| 169 | V | 92.2 | Very high | 92.7 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 177.3 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I165 I166 G172 C173 | I165-V169 HydrophobicContact CG2-CG2 4.45Å; I165-V169 WeakPolarHBondContact O-CG2 3.43Å; I165-V169 PolarHBondContact O-N 3.31Å; I166-V169 PolarHBondContact O-N 2.91Å; V169-G172 PolarHBondContact O-N 3.11Å; V169-C173 WeakPolarHBondContact O-CB 3.32Å; V169-C173 PolarHBondContact O-N 3.06Å; V169-C173 PolarHBondContact O-SG 3.38Å |
| 170 | M | 91.7 | Very high | 91.9 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 179.1 | 177.2 | 166 | 165.6 | 0 | 0 | 112.1 | F76 F80 I166 N167 A168 G172 C173 I174 | F76-M170 HydrophobicContact CB-CE 3.59Å; F76-M170 HydrophobicContact CB-SD 3.66Å; F76-M170 HydrophobicContact CD1-CB 4.37Å; F76-M170 HydrophobicContact CD1-CG 3.81Å; F76-M170 HydrophobicContact CD1-SD 3.86Å; F76-M170 HydrophobicContact CD2-CE 3.72Å; F76-M170 HydrophobicContact CD2-CG 4.03Å; F76-M170 HydrophobicContact CD2-SD 4.1Å; F76-M170 HydrophobicContact CE1-CB 4.24Å; F76-M170 HydrophobicContact CE1-CG 3.86Å; F76-M170 HydrophobicContact CE2-CG 4.08Å; F76-M170 HydrophobicContact CG-CE 3.73Å; F76-M170 HydrophobicContact CG-CG 3.91Å; F76-M170 HydrophobicContact CG-SD 3.63Å; F76-M170 HydrophobicContact CZ-CG 4.02Å; F80-M170 HydrophobicContact CD2-CE 4.49Å; F80-M170 HydrophobicContact CD2-SD 3.98Å; F80-M170 HydrophobicContact CE2-CE 3.76Å; F80-M170 HydrophobicContact CE2-SD 3.15Å; F80-M170 WeakPolarHBondContact CE2-SD 3.47Å; F80-M170 HydrophobicContact CZ-SD 3.7Å; I166-M170 WeakPolarHBondContact O-CB 3.29Å; I166-M170 PolarHBondContact O-N 3.47Å; N167-M170 PolarHBondContact O-N 2.85Å; A168-M170 PolarHBondContact O-N 3.03Å; M170-G172 VanDerWaalsContact C-N 3.3Å; M170-G172 PolarHBondContact O-N 3.3Å; M170-C173 PolarHBondContact O-N 2.77Å; M170-I174 HydrophobicContact CE-CD1 3.66Å; M170-I174 HydrophobicContact CG-CD1 3.75Å; M170-I174 HydrophobicContact CG-CG1 4.37Å; M170-I174 WeakPolarHBondContact O-CG1 3.36Å; M170-I174 PolarHBondContact O-N 3.22Å |
| 171 | L | 92.8 | Very high | 90.5 | Very high | 114 Ų | 114 | 61.2 Ų | 61.2 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.5 | -42.6 | 177.8 | -175.5 | 62.1 | 0 | 0 | 0 | 111 | N167 A168 I174 F175 | N167-L171 WeakPolarHBondContact O-CB 3.37Å; N167-L171 PolarHBondContact O-N 3.48Å; A168-L171 PolarHBondContact O-N 3.38Å; L171-I174 PolarHBondContact O-N 3.32Å; L171-F175 VanDerWaalsContact O-CB 3.26Å; L171-F175 WeakPolarHBondContact O-CB 3.42Å; L171-F175 PolarHBondContact O-N 3.46Å |
| 172 | G | 92.9 | Very high | 89.2 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A168 V169 M170 F175 M176 | A168-G172 PolarHBondContact O-N 2.62Å; V169-G172 PolarHBondContact O-N 3.11Å; M170-G172 VanDerWaalsContact C-N 3.3Å; M170-G172 PolarHBondContact O-N 3.3Å; G172-F175 PolarHBondContact O-N 3.32Å; G172-M176 WeakPolarHBondContact O-CB 3.48Å; G172-M176 PolarHBondContact O-N 3.29Å |
| 173 | C | 91.6 | Very high | 88 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 176.8 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | F61 L64 F76 V169 M170 K177 | F61-C173 WeakPolarHBondContact CE2-SG 3.17Å; L64-C173 HydrophobicContact CD2-CB 4.49Å; F76-C173 HydrophobicContact CE1-CB 4.34Å; F76-C173 HydrophobicContact CZ-CB 3.74Å; V169-C173 WeakPolarHBondContact O-CB 3.32Å; V169-C173 PolarHBondContact O-N 3.06Å; V169-C173 PolarHBondContact O-SG 3.38Å; M170-C173 PolarHBondContact O-N 2.77Å; C173-K177 WeakPolarHBondContact O-CB 3.27Å; C173-K177 PolarHBondContact O-N 3.01Å |
| 174 | I | 91.5 | Very high | 87.1 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 26% | 0.256 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 177.7 | -68.8 | 169.7 | 0 | 0 | 0 | 109.9 | F76 M170 L171 M176 K177 T178 | F76-I174 HydrophobicContact CD2-CD1 4.19Å; F76-I174 HydrophobicContact CD2-CG1 4.2Å; F76-I174 HydrophobicContact CE2-CD1 3.91Å; F76-I174 HydrophobicContact CE2-CG1 3.44Å; F76-I174 VanDerWaalsContact CE2-CG1 3.44Å; F76-I174 HydrophobicContact CZ-CG1 4.1Å; M170-I174 HydrophobicContact CE-CD1 3.66Å; M170-I174 HydrophobicContact CG-CD1 3.75Å; M170-I174 HydrophobicContact CG-CG1 4.37Å; M170-I174 WeakPolarHBondContact O-CG1 3.36Å; M170-I174 PolarHBondContact O-N 3.22Å; L171-I174 PolarHBondContact O-N 3.32Å; I174-M176 PolarHBondContact O-N 2.82Å; I174-K177 PolarHBondContact O-N 3.43Å; I174-T178 HydrophobicContact CG2-CG2 4.28Å; I174-T178 WeakPolarHBondContact O-CG2 3.25Å; I174-T178 PolarHBondContact O-N 3.09Å; I174-T178 PolarHBondContact O-OG1 3.49Å |
| 175 | F | 90.9 | Very high | 86.4 | Confident | 142 Ų | 142 | 65.7 Ų | 65.7 | 62% | 0.623 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.4 | -52.7 | 177.9 | 177.1 | -101.2 | 0 | 0 | 0 | 111 | L171 G172 K177 T178 A179 | L171-F175 VanDerWaalsContact O-CB 3.26Å; L171-F175 WeakPolarHBondContact O-CB 3.42Å; L171-F175 PolarHBondContact O-N 3.46Å; G172-F175 PolarHBondContact O-N 3.32Å; F175-K177 VanDerWaalsContact C-N 3.34Å; F175-K177 PolarHBondContact O-N 2.86Å; F175-T178 PolarHBondContact O-N 3.31Å; F175-T178 VanDerWaalsContact O-N 3.17Å; F175-T178 PolarHBondContact O-OG1 3.43Å; F175-A179 WeakPolarHBondContact O-CB 3.19Å; F175-A179 PolarHBondContact O-N 3.37Å |
| 176 | M | 89.4 | Confident | 85.8 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 42% | 0.424 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57 | -46.6 | 177.4 | -174.6 | 61.4 | 71.3 | 0 | 0 | 111.9 | V65 G172 I174 T178 A179 Q180 | V65-M176 HydrophobicContact CG1-CG 4Å; V65-M176 HydrophobicContact CG2-CB 4.35Å; V65-M176 HydrophobicContact CG2-CG 4.21Å; G172-M176 WeakPolarHBondContact O-CB 3.48Å; G172-M176 PolarHBondContact O-N 3.29Å; I174-M176 PolarHBondContact O-N 2.82Å; M176-T178 VanDerWaalsContact C-N 3.34Å; M176-T178 PolarHBondContact O-N 3.2Å; M176-A179 PolarHBondContact O-N 2.99Å; M176-A179 VanDerWaalsContact O-N 3.16Å; M176-Q180 PolarHBondContact O-N 3.25Å |
| 177 | K | 89.8 | Confident | 85.5 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 178.7 | -168.7 | -177 | -163.7 | 76.9 | 0 | 113 | V65 L67 W69 T72 C173 I174 F175 | V65-K177 HydrophobicContact CG1-CB 4.29Å; V65-K177 PolarHBondContact O-NZ 2.97Å; L67-K177 PolarHBondContact O-NZ 2.75Å; W69-K177 HydrophobicContact CD2-CD 3.89Å; W69-K177 HydrophobicContact CE3-CD 3.94Å; W69-K177 HydrophobicContact CH2-CB 4.35Å; W69-K177 HydrophobicContact CH2-CD 3.76Å; W69-K177 HydrophobicContact CH2-CG 4.06Å; W69-K177 HydrophobicContact CZ2-CB 4.32Å; W69-K177 HydrophobicContact CZ2-CD 3.71Å; W69-K177 HydrophobicContact CZ2-CG 3.69Å; W69-K177 HydrophobicContact CZ3-CD 3.88Å; T72-K177 HydrophobicContact CG2-CD 4.05Å; T72-K177 WeakPolarHBondContact OG1-CE 3.22Å; T72-K177 PolarHBondContact OG1-NZ 3.37Å; C173-K177 WeakPolarHBondContact O-CB 3.27Å; C173-K177 PolarHBondContact O-N 3.01Å; I174-K177 PolarHBondContact O-N 3.43Å; F175-K177 VanDerWaalsContact C-N 3.34Å; F175-K177 PolarHBondContact O-N 2.86Å |
| 178 | T | 87.3 | Confident | 85.4 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.5 | -32.1 | 174.4 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | W69 I174 F175 M176 Q180 | W69-T178 HydrophobicContact CH2-CG2 3.64Å; W69-T178 HydrophobicContact CZ2-CG2 3.97Å; I174-T178 HydrophobicContact CG2-CG2 4.28Å; I174-T178 WeakPolarHBondContact O-CG2 3.25Å; I174-T178 PolarHBondContact O-N 3.09Å; I174-T178 PolarHBondContact O-OG1 3.49Å; F175-T178 PolarHBondContact O-N 3.31Å; F175-T178 VanDerWaalsContact O-N 3.17Å; F175-T178 PolarHBondContact O-OG1 3.43Å; M176-T178 VanDerWaalsContact C-N 3.34Å; M176-T178 PolarHBondContact O-N 3.2Å; T178-Q180 VanDerWaalsContact C-N 3.34Å |
| 179 | A | 83.8 | Confident | 85.4 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 21% | 0.207 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.3 | -25.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F175 M176 A181 I302 | F175-A179 WeakPolarHBondContact O-CB 3.19Å; F175-A179 PolarHBondContact O-N 3.37Å; M176-A179 PolarHBondContact O-N 2.99Å; M176-A179 VanDerWaalsContact O-N 3.16Å; A179-A181 PolarHBondContact O-N 3.2Å; A179-I302 HydrophobicContact CB-CD1 4.05Å; A179-I302 WeakPolarHBondContact O-CD1 3.46Å |
| 180 | Q | 79.9 | Confident | 85.6 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | trans | -52.5 | 126 | 177.7 | -80 | -170.8 | -21.4 | 0 | 0 | 112.1 | V65 D66 M176 T178 H182 | V65-Q180 HydrophobicContact CG1-CG 4.31Å; V65-Q180 VanDerWaalsContact CG1-NE2 3.25Å; D66-Q180 PolarHBondContact OD1-NE2 3.14Å; M176-Q180 PolarHBondContact O-N 3.25Å; T178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-H182 PolarHBondContact O-N 3.22Å | ||
| 181 | A | 65.3 | Low | 85.8 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 15.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A179 R183 R184 A185 V297 I302 | A179-A181 PolarHBondContact O-N 3.2Å; A181-R183 PolarHBondContact O-N 3.33Å; A181-R183 VanDerWaalsContact O-N 3.15Å; A181-R184 HydrophobicContact CB-CB 4.33Å; A181-R184 HydrophobicContact CB-CG 4.3Å; A181-R184 WeakPolarHBondContact O-CA 3.46Å; A181-R184 VanDerWaalsContact O-CB 3.25Å; A181-R184 WeakPolarHBondContact O-CB 3.42Å; A181-R184 PolarHBondContact O-N 2.8Å; A181-A185 PolarHBondContact O-N 2.98Å; A181-V297 HydrophobicContact CB-CG2 4.27Å; A181-I302 HydrophobicContact CB-CG2 4.18Å |
| 182 | H | 70.1 | Confident | 85.8 | Confident | 134 Ų | 134 | 62.8 Ų | 62.8 | 62% | 0.62 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -56.2 | -38 | -176.5 | -171.3 | -78.5 | 0 | 0 | 0 | 112.4 | Q180 R184 A185 | Q180-H182 PolarHBondContact O-N 3.22Å; H182-R184 PolarHBondContact O-N 3.06Å; H182-A185 PolarHBondContact O-N 2.72Å |
| 183 | R | 70.7 | Confident | 86 | Confident | 167 Ų | 167 | 64.6 Ų | 64.6 | 63% | 0.63 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.2 | -19.3 | 175.4 | -67.9 | -171.4 | -75.3 | -168.1 | -2.8 | 113.8 | A181 | A181-R183 PolarHBondContact O-N 3.33Å; A181-R183 VanDerWaalsContact O-N 3.15Å |
| 184 | R | 77 | Confident | 86.2 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -78.9 | -32.3 | 175.1 | -63.6 | -65.2 | -167.5 | 128.2 | 3.1 | 111.9 | A181 H182 E186 T187 R213 S215 V297 T299 | A181-R184 HydrophobicContact CB-CB 4.33Å; A181-R184 HydrophobicContact CB-CG 4.3Å; A181-R184 WeakPolarHBondContact O-CA 3.46Å; A181-R184 VanDerWaalsContact O-CB 3.25Å; A181-R184 WeakPolarHBondContact O-CB 3.42Å; A181-R184 PolarHBondContact O-N 2.8Å; H182-R184 PolarHBondContact O-N 3.06Å; R184-E186 PolarHBondContact O-N 2.62Å; R184-T187 PolarHBondContact O-N 3.22Å; R184-T187 PolarHBondContact O-OG1 3.18Å; R184-R213 VanDerWaalsContact CZ-NH1 3.3Å; R184-S215 PolarHBondContact NH1-OG 2.97Å; R184-V297 HydrophobicContact CB-CG2 4.04Å; R184-V297 HydrophobicContact CG-CG1 4.22Å; R184-V297 HydrophobicContact CG-CG2 4.1Å; R184-T299 PolarHBondContact NH2-OG1 3.44Å |
| 185 | A | 79.8 | Confident | 86.4 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -29.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A181 H182 T187 L188 A306 | A181-A185 PolarHBondContact O-N 2.98Å; H182-A185 PolarHBondContact O-N 2.72Å; A185-T187 VanDerWaalsContact C-N 3.31Å; A185-T187 PolarHBondContact O-N 3.06Å; A185-L188 PolarHBondContact O-N 2.89Å; A185-A306 HydrophobicContact CB-CB 4.31Å |
| 186 | E | 82.4 | Confident | 86.6 | Confident | 134 Ų | 134 | 55.6 Ų | 55.6 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.4 | 177 | -64.7 | 178 | 174 | 0 | 0 | 113.9 | R184 | R184-E186 PolarHBondContact O-N 2.62Š|
| 187 | T | 88.4 | Confident | 86.9 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 20% | 0.202 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -13.7 | 177.2 | 63.5 | 0 | 0 | 0 | 0 | 113 | R184 A185 L212 | R184-T187 PolarHBondContact O-N 3.22Å; R184-T187 PolarHBondContact O-OG1 3.18Å; A185-T187 VanDerWaalsContact C-N 3.31Å; A185-T187 PolarHBondContact O-N 3.06Å; T187-L212 PolarHBondContact O-N 3.25Å; T187-L212 VanDerWaalsContact O-N 3.14Å |
| 188 | L | 92.1 | Very high | 87 | Confident | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.9 | 171.9 | -66 | 170.1 | 0 | 0 | 0 | 108.6 | A185 D211 I217 L258 L293 T304 A306 | A185-L188 PolarHBondContact O-N 2.89Å; L188-D211 HydrophobicContact CD2-CB 3.93Å; L188-I217 HydrophobicContact CD2-CG1 4.13Å; L188-L258 HydrophobicContact CD2-CD2 4.01Å; L188-L293 HydrophobicContact CB-CD2 4.38Å; L188-L293 HydrophobicContact CD1-CD2 3.81Å; L188-L293 HydrophobicContact CD2-CD2 3.96Å; L188-L293 HydrophobicContact CG-CD2 4.26Å; L188-T304 HydrophobicContact CD1-CG2 4.43Å; L188-A306 HydrophobicContact CB-CB 3.83Å; L188-A306 HydrophobicContact CD1-CB 3.83Å; L188-A306 HydrophobicContact CG-CB 4.48Å |
| 189 | I | 93.9 | Very high | 87.1 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 142.5 | -174.9 | 58.2 | 164.9 | 0 | 0 | 0 | 111.3 | V209 G210 L212 Y336 F339 | I189-V209 CarbonylContact O-C 3.55Å; I189-V209 WeakPolarHBondContact O-CA 3.45Å; I189-G210 WeakPolarHBondContact CG1-O 3.46Å; I189-G210 PolarHBondContact N-O 3.3Å; I189-G210 PolarHBondContact O-N 3.34Å; I189-L212 HydrophobicContact CD1-CD2 3.84Å; I189-L212 HydrophobicContact CD1-CG 4.07Å; I189-L212 HydrophobicContact CG1-CG 4.24Å; I189-L212 HydrophobicContact CG2-CD1 3.65Å; I189-L212 HydrophobicContact CG2-CG 4.07Å; I189-Y336 HydrophobicContact CD1-CD1 3.98Å; I189-Y336 HydrophobicContact CD1-CE1 4.07Å; I189-F339 HydrophobicContact CD1-CD1 4.16Å; I189-F339 HydrophobicContact CD1-CD2 4.06Å; I189-F339 HydrophobicContact CD1-CE1 3.94Å; I189-F339 HydrophobicContact CD1-CE2 3.81Å; I189-F339 HydrophobicContact CD1-CG 4.22Å; I189-F339 HydrophobicContact CD1-CZ 3.77Å; I189-F339 HydrophobicContact CG1-CE1 4.21Å; I189-F339 HydrophobicContact CG1-CE2 4.13Å; I189-F339 HydrophobicContact CG1-CZ 3.8Å |
| 190 | F | 96.1 | Very high | 87.3 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 151.6 | 174.3 | -58.7 | -88.5 | 0 | 0 | 0 | 110 | R192 R208 V209 V291 L293 A306 T308 | F190-R192 PolarHBondContact O-N 2.91Å; F190-R208 CarbonylContact C-O 3.48Å; F190-R208 WeakPolarHBondContact CA-O 3.24Å; F190-V209 HydrophobicContact CD1-CG1 4.21Å; F190-V209 HydrophobicContact CD1-CG2 3.87Å; F190-V209 HydrophobicContact CE1-CG1 4.07Å; F190-V209 HydrophobicContact CE1-CG2 4.06Å; F190-V291 HydrophobicContact CD1-CG1 4.2Å; F190-V291 HydrophobicContact CE1-CG1 3.81Å; F190-L293 HydrophobicContact CE1-CB 4.22Å; F190-L293 HydrophobicContact CZ-CB 3.97Å; F190-A306 HydrophobicContact CE2-CB 3.85Å; F190-A306 HydrophobicContact CZ-CB 3.93Å; F190-T308 HydrophobicContact CB-CG2 3.61Å; F190-T308 HydrophobicContact CD1-CG2 3.72Å; F190-T308 HydrophobicContact CD2-CG2 3.78Å; F190-T308 HydrophobicContact CE1-CG2 4.33Å; F190-T308 HydrophobicContact CE2-CG2 4.36Å; F190-T308 HydrophobicContact CG-CG2 3.42Å; F190-T308 VanDerWaalsContact CG-CG2 3.42Å |
| 191 | S | 96.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | trans | -60.7 | 139.3 | 173.3 | 57.1 | 0 | 0 | 0 | 0 | 109.7 | Q193 R208 Y310 F321 | S191-Q193 VanDerWaalsContact CB-O 3.29Å; S191-Q193 WeakPolarHBondContact CB-O 3.45Å; S191-Q193 PolarHBondContact O-N 3.42Å; S191-Q193 PolarHBondContact OG-O 3.17Å; S191-R208 PolarHBondContact N-O 2.95Å; S191-R208 PolarHBondContact OG-N 2.93Å; S191-Y310 WeakPolarHBondContact O-CE1 3.24Å; S191-Y310 VanDerWaalsContact O-CZ 3.31Å; S191-Y310 PolarHBondContact O-OH 3.14Å; S191-Y310 PolarHBondContact OG-OH 3.47Å; S191-F321 WeakPolarHBondContact OG-CZ 3.38Å | ||
| 192 | R | 93.7 | Very high | 88.8 | Confident | 204 Ų | 204 | 65.6 Ų | 65.6 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -62.2 | -37 | 179.2 | -174.3 | 177.3 | 174.5 | 129.9 | 0.6 | 112 | K39 F190 | K39-R192 VanDerWaalsContact CE-O 3.26Å; K39-R192 WeakPolarHBondContact CE-O 3.49Å; K39-R192 PolarHBondContact NZ-O 3.04Å; F190-R192 PolarHBondContact O-N 2.91Å |
| 193 | Q | 95.3 | Very high | 89.8 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -115.5 | 147.9 | 178.5 | -68.7 | 167.8 | -29.5 | 0 | 0 | 109.5 | S191 E314 L316 | S191-Q193 VanDerWaalsContact CB-O 3.29Å; S191-Q193 WeakPolarHBondContact CB-O 3.45Å; S191-Q193 PolarHBondContact O-N 3.42Å; S191-Q193 PolarHBondContact OG-O 3.17Å; Q193-E314 VanDerWaalsContact CA-O 3.3Å; Q193-E314 WeakPolarHBondContact CA-O 3.33Å; Q193-E314 WeakPolarHBondContact CB-O 3.4Å; Q193-L316 HydrophobicContact CB-CD1 4.19Å; Q193-L316 HydrophobicContact CB-CG 4.32Å; Q193-L316 HydrophobicContact CG-CD1 4.38Å; Q193-L316 VanDerWaalsContact OE1-CD1 3.28Å |
| 194 | A | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 161.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | F205 M206 F207 Y310 E314 I315 L316 | A194-F205 HydrophobicContact CB-CD2 4.41Å; A194-F205 HydrophobicContact CB-CE2 3.38Å; A194-F205 HydrophobicContact CB-CZ 3.55Å; A194-M206 CarbonylContact C-O 3.59Å; A194-M206 WeakPolarHBondContact CA-O 3.42Å; A194-F207 HydrophobicContact CB-CB 4.32Å; A194-Y310 HydrophobicContact CB-CD1 3.66Å; A194-Y310 HydrophobicContact CB-CD2 4.33Å; A194-Y310 HydrophobicContact CB-CE1 3.94Å; A194-Y310 HydrophobicContact CB-CG 3.88Å; A194-E314 PolarHBondContact N-O 2.94Å; A194-I315 HydrophobicContact CB-CG1 4.35Å; A194-L316 PolarHBondContact O-N 3.33Å |
| 195 | V | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145.3 | -178.7 | -55 | 0 | 0 | 0 | 0 | 111 | M206 L316 H319 F321 T342 | V195-M206 HydrophobicContact CG2-CB 3.85Å; V195-M206 HydrophobicContact CG2-CE 4.18Å; V195-M206 PolarHBondContact N-O 3.18Å; V195-M206 PolarHBondContact O-N 3.4Å; V195-L316 CarbonylContact C-O 3.59Å; V195-L316 VanDerWaalsContact CA-O 3.29Å; V195-L316 WeakPolarHBondContact CA-O 3.37Å; V195-L316 HydrophobicContact CG1-CB 4.32Å; V195-H319 HydrophobicContact CB-CB 4.02Å; V195-H319 WeakPolarHBondContact CB-O 3.26Å; V195-H319 HydrophobicContact CG1-CB 3.74Å; V195-H319 WeakPolarHBondContact CG2-O 3.43Å; V195-F321 HydrophobicContact CG1-CE1 4.46Å; V195-F321 HydrophobicContact CG1-CE2 4.27Å; V195-F321 HydrophobicContact CG1-CZ 4.13Å; V195-F321 HydrophobicContact CG2-CD2 3.82Å; V195-F321 HydrophobicContact CG2-CE2 3.59Å; V195-F321 HydrophobicContact CG2-CZ 4.27Å; V195-T342 HydrophobicContact CG1-CG2 3.6Å |
| 196 | I | 95.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.7 | 170.4 | -64.7 | 173.2 | 0 | 0 | 0 | 108 | L203 C204 F205 I268 L282 I315 L316 W317 G318 | I196-L203 HydrophobicContact CG2-CD1 3.82Å; I196-L203 HydrophobicContact CG2-CD2 3.95Å; I196-L203 HydrophobicContact CG2-CG 3.7Å; I196-C204 WeakPolarHBondContact CA-O 3.48Å; I196-F205 HydrophobicContact CD1-CD2 4.45Å; I196-F205 HydrophobicContact CG1-CB 4.46Å; I196-F205 HydrophobicContact CG1-CD2 4Å; I196-I268 HydrophobicContact CG2-CD1 4.38Å; I196-L282 HydrophobicContact CD1-CD2 3.95Å; I196-I315 HydrophobicContact CD1-CG2 3.6Å; I196-I315 HydrophobicContact CG1-CG2 3.77Å; I196-L316 PolarHBondContact N-O 2.85Å; I196-W317 HydrophobicContact CB-CD2 4.32Å; I196-W317 HydrophobicContact CB-CE3 4.12Å; I196-W317 HydrophobicContact CD1-CE3 3.76Å; I196-W317 HydrophobicContact CD1-CZ3 3.86Å; I196-W317 HydrophobicContact CG2-CD2 4.09Å; I196-W317 HydrophobicContact CG2-CE3 3.95Å; I196-W317 HydrophobicContact CG2-CH2 4.28Å; I196-W317 HydrophobicContact CG2-CZ2 4.36Å; I196-W317 HydrophobicContact CG2-CZ3 4.06Å; I196-G318 WeakPolarHBondContact O-CA 3.36Å; I196-G318 PolarHBondContact O-N 2.99Å |
| 197 | A | 94.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 167.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | C204 M206 H319 | A197-C204 PolarHBondContact N-O 2.65Å; A197-C204 VanDerWaalsContact N-O 3.15Å; A197-C204 PolarHBondContact O-N 3.38Å; A197-M206 HydrophobicContact CB-CE 3.91Å; A197-H319 WeakPolarHBondContact CB-O 3.28Å |
| 198 | V | 92 | Very high | 93.6 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 24% | 0.236 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 129.5 | 177.5 | -177.8 | 0 | 0 | 0 | 0 | 110 | K202 L203 P348 L362 | V198-K202 CarbonylContact C-O 3.44Å; V198-K202 VanDerWaalsContact CA-O 3.27Å; V198-K202 WeakPolarHBondContact CA-O 3.08Å; V198-L203 HydrophobicContact CG2-CD1 4.05Å; V198-P348 VanDerWaalsContact CG2-CD 3.44Å; V198-P348 HydrophobicContact CG2-CG 3.92Å; V198-L362 HydrophobicContact CB-CD1 4.33Å; V198-L362 HydrophobicContact CG1-CD1 3.85Å; V198-L362 HydrophobicContact CG2-CD1 3.9Å |
| 199 | R | 90 | Very high | 93.7 | Very high | 122 Ų | 122 | 41.2 Ų | 41.2 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.1 | 171.5 | -167.7 | 175 | -175 | 174.2 | -2.2 | 108.5 | G201 K202 C204 | R199-G201 PolarHBondContact O-N 3.08Å; R199-K202 PolarHBondContact N-O 2.88Å; R199-K202 PolarHBondContact O-N 3.28Å; R199-C204 HydrophobicContact CB-CB 4.44Å |
| 200 | N | 87.3 | Confident | 93.7 | Very high | 157 Ų | 157 | 39.2 Ų | 39.2 | 84% | 0.84 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 39.6 | -177.8 | -57.2 | -17.9 | 0 | 0 | 0 | 113.5 | K202 | N200-K202 PolarHBondContact O-N 3.27Š|
| 201 | G | 86.5 | Confident | 93.6 | Very high | 40 Ų | 40 | 38 Ų | 38 | 41% | 0.412 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -5.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R199 | R199-G201 PolarHBondContact O-N 3.08Š|
| 202 | K | 90.5 | Very high | 93.3 | Very high | 123 Ų | 123 | 42.6 Ų | 42.6 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 150.6 | 178.2 | -61.1 | -173.8 | -178.3 | -179.7 | 0 | 111.5 | V198 R199 N200 V267 | V198-K202 CarbonylContact C-O 3.44Å; V198-K202 VanDerWaalsContact CA-O 3.27Å; V198-K202 WeakPolarHBondContact CA-O 3.08Å; R199-K202 PolarHBondContact N-O 2.88Å; R199-K202 PolarHBondContact O-N 3.28Å; N200-K202 PolarHBondContact O-N 3.27Å; K202-V267 HydrophobicContact CB-CG1 4.06Å; K202-V267 HydrophobicContact CD-CG1 3.6Å; K202-V267 HydrophobicContact CG-CG1 4.47Å |
| 203 | L | 92.5 | Very high | 93 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127 | 174.9 | -161.9 | 74.4 | 0 | 0 | 0 | 109.4 | I196 V198 I268 W317 A352 L355 | I196-L203 HydrophobicContact CG2-CD1 3.82Å; I196-L203 HydrophobicContact CG2-CD2 3.95Å; I196-L203 HydrophobicContact CG2-CG 3.7Å; V198-L203 HydrophobicContact CG2-CD1 4.05Å; L203-I268 HydrophobicContact CD2-CD1 3.91Å; L203-I268 HydrophobicContact CG-CD1 4.11Å; L203-I268 WeakPolarHBondContact O-CB 3.1Å; L203-I268 PolarHBondContact O-N 3.15Å; L203-W317 HydrophobicContact CD1-CZ2 4.11Å; L203-W317 HydrophobicContact CD2-CH2 3.48Å; L203-W317 VanDerWaalsContact CD2-CH2 3.48Å; L203-W317 HydrophobicContact CD2-CZ2 3.64Å; L203-W317 HydrophobicContact CD2-CZ3 4.38Å; L203-W317 HydrophobicContact CG-CZ2 4.5Å; L203-A352 HydrophobicContact CB-CB 4.36Å; L203-A352 HydrophobicContact CD2-CB 4.16Å; L203-L355 HydrophobicContact CB-CD2 4.27Å |
| 204 | C | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.9 | -175.1 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | I196 A197 R199 M206 C265 H266 | I196-C204 WeakPolarHBondContact CA-O 3.48Å; A197-C204 PolarHBondContact N-O 2.65Å; A197-C204 VanDerWaalsContact N-O 3.15Å; A197-C204 PolarHBondContact O-N 3.38Å; R199-C204 HydrophobicContact CB-CB 4.44Å; C204-M206 HydrophobicContact CB-CE 4.37Å; C204-M206 HydrophobicContact CB-CG 4.4Å; C204-C265 VanDerWaalsContact CB-SG 3.58Å; C204-H266 CarbonylContact C-O 3.57Å; C204-H266 VanDerWaalsContact CA-O 3.22Å; C204-H266 WeakPolarHBondContact CA-O 3.13Å |
| 205 | F | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 130.7 | 166.2 | 173.8 | -101.7 | 0 | 0 | 0 | 109.7 | A194 I196 F207 H266 I268 L274 L289 Y310 I315 | A194-F205 HydrophobicContact CB-CD2 4.41Å; A194-F205 HydrophobicContact CB-CE2 3.38Å; A194-F205 HydrophobicContact CB-CZ 3.55Å; I196-F205 HydrophobicContact CD1-CD2 4.45Å; I196-F205 HydrophobicContact CG1-CB 4.46Å; I196-F205 HydrophobicContact CG1-CD2 4Å; F205-F207 HydrophobicContact CD1-CD1 4.31Å; F205-F207 AromaticContact CE1-CD1 3.59Å; F205-F207 HydrophobicContact CE1-CD1 3.59Å; F205-F207 HydrophobicContact CE1-CE1 4.03Å; F205-F207 HydrophobicContact CZ-CD1 4.22Å; F205-H266 HydrophobicContact CB-CB 4.39Å; F205-H266 HydrophobicContact CD1-CB 4.48Å; F205-H266 PolarHBondContact N-O 2.88Å; F205-H266 PolarHBondContact O-N 3.16Å; F205-I268 HydrophobicContact CB-CD1 4.45Å; F205-L274 HydrophobicContact CB-CD1 4.47Å; F205-L289 HydrophobicContact CD1-CD1 4.36Å; F205-L289 HydrophobicContact CD2-CD1 3.86Å; F205-L289 HydrophobicContact CE1-CD1 3.87Å; F205-L289 HydrophobicContact CE2-CD1 3.3Å; F205-L289 HydrophobicContact CG-CD1 4.36Å; F205-L289 HydrophobicContact CZ-CB 4.42Å; F205-L289 HydrophobicContact CZ-CD1 3.32Å; F205-L289 HydrophobicContact CZ-CG 4.47Å; F205-Y310 HydrophobicContact CZ-CD2 4.43Å; F205-I315 HydrophobicContact CD2-CG2 4.32Å; F205-I315 HydrophobicContact CE2-CD1 4.28Å; F205-I315 HydrophobicContact CE2-CG1 4.23Å; F205-I315 HydrophobicContact CE2-CG2 4.12Å |
| 206 | M | 95.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 50 Ų | 50 | 5% | 0.054 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.9 | -173.8 | -67.6 | 172.9 | -81 | 0 | 0 | 112.3 | A194 V195 A197 C204 I263 I264 C265 F321 | A194-M206 CarbonylContact C-O 3.59Å; A194-M206 WeakPolarHBondContact CA-O 3.42Å; V195-M206 HydrophobicContact CG2-CB 3.85Å; V195-M206 HydrophobicContact CG2-CE 4.18Å; V195-M206 PolarHBondContact N-O 3.18Å; V195-M206 PolarHBondContact O-N 3.4Å; A197-M206 HydrophobicContact CB-CE 3.91Å; C204-M206 HydrophobicContact CB-CE 4.37Å; C204-M206 HydrophobicContact CB-CG 4.4Å; M206-I263 HydrophobicContact CB-CG2 3.81Å; M206-I263 HydrophobicContact CG-CG2 4.05Å; M206-I263 HydrophobicContact SD-CG2 4.2Å; M206-I264 VanDerWaalsContact CA-O 3.25Å; M206-I264 WeakPolarHBondContact CA-O 3.04Å; M206-C265 HydrophobicContact CG-CB 4.21Å; M206-F321 HydrophobicContact CB-CE2 4.39Å |
| 207 | F | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158.3 | 167.7 | 61.2 | -84.6 | 0 | 0 | 0 | 109.4 | A194 F205 V209 V222 I224 I263 I264 V291 Y310 | A194-F207 HydrophobicContact CB-CB 4.32Å; F205-F207 HydrophobicContact CD1-CD1 4.31Å; F205-F207 AromaticContact CE1-CD1 3.59Å; F205-F207 HydrophobicContact CE1-CD1 3.59Å; F205-F207 HydrophobicContact CE1-CE1 4.03Å; F205-F207 HydrophobicContact CZ-CD1 4.22Å; F207-V209 HydrophobicContact CD2-CG2 3.65Å; F207-V209 HydrophobicContact CE2-CG2 3.41Å; F207-V209 VanDerWaalsContact CE2-CG2 3.41Å; F207-V222 HydrophobicContact CE2-CG1 4.42Å; F207-V222 HydrophobicContact CZ-CG1 3.87Å; F207-I224 HydrophobicContact CE1-CD1 3.61Å; F207-I224 HydrophobicContact CE1-CG1 3.94Å; F207-I224 HydrophobicContact CZ-CD1 4.13Å; F207-I224 HydrophobicContact CZ-CG1 4.12Å; F207-I263 CarbonylContact O-C 3.56Å; F207-I263 WeakPolarHBondContact O-CA 3.42Å; F207-I264 HydrophobicContact CD1-CB 4.37Å; F207-I264 HydrophobicContact CD2-CB 4.28Å; F207-I264 HydrophobicContact CD2-CG1 4.43Å; F207-I264 HydrophobicContact CE1-CB 3.86Å; F207-I264 HydrophobicContact CE1-CG2 3.82Å; F207-I264 HydrophobicContact CE2-CB 3.74Å; F207-I264 HydrophobicContact CE2-CG1 3.75Å; F207-I264 HydrophobicContact CE2-CG2 4.26Å; F207-I264 HydrophobicContact CZ-CB 3.53Å; F207-I264 HydrophobicContact CZ-CG1 3.94Å; F207-I264 HydrophobicContact CZ-CG2 3.56Å; F207-I264 PolarHBondContact N-O 3.15Å; F207-I264 VanDerWaalsContact N-O 3.16Å; F207-I264 PolarHBondContact O-N 3.19Å; F207-V291 HydrophobicContact CD1-CG2 4.15Å; F207-V291 HydrophobicContact CD2-CG1 4.22Å; F207-V291 HydrophobicContact CD2-CG2 4.42Å; F207-V291 HydrophobicContact CE1-CG1 4.29Å; F207-V291 HydrophobicContact CE1-CG2 3.75Å; F207-V291 HydrophobicContact CE2-CB 4.3Å; F207-V291 HydrophobicContact CE2-CG1 3.35Å; F207-V291 HydrophobicContact CE2-CG2 4.07Å; F207-V291 HydrophobicContact CG-CG2 4.46Å; F207-V291 HydrophobicContact CZ-CB 4.2Å; F207-V291 HydrophobicContact CZ-CG1 3.38Å; F207-V291 HydrophobicContact CZ-CG2 3.7Å; F207-Y310 HydrophobicContact CB-CE2 4.04Å; F207-Y310 HydrophobicContact CG-CE2 4.2Å |
| 208 | R | 96 | Very high | 91.4 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 2% | 0.023 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.5 | -179.3 | -178.4 | -179.8 | -74.4 | 164.2 | -15.3 | 110.3 | F190 S191 P261 L262 I263 F321 V322 I324 F339 | F190-R208 CarbonylContact C-O 3.48Å; F190-R208 WeakPolarHBondContact CA-O 3.24Å; S191-R208 PolarHBondContact N-O 2.95Å; S191-R208 PolarHBondContact OG-N 2.93Å; R208-P261 HydrophobicContact CG-CB 4.27Å; R208-L262 WeakPolarHBondContact CA-O 3.35Å; R208-I263 HydrophobicContact CB-CG1 4.5Å; R208-F321 HydrophobicContact CB-CE1 4.4Å; R208-F321 HydrophobicContact CB-CE2 4.41Å; R208-F321 HydrophobicContact CB-CZ 4.3Å; R208-V322 PolarHBondContact NH1-O 3.45Å; R208-V322 PolarHBondContact NH2-O 3.22Å; R208-I324 VanDerWaalsContact NH1-CG2 3.32Å; R208-F339 HydrophobicContact CB-CZ 4.33Å; R208-F339 WeakPolarHBondContact CD-O 3.48Å; R208-F339 HydrophobicContact CG-CD2 4.23Å; R208-F339 HydrophobicContact CG-CE1 4.42Å; R208-F339 HydrophobicContact CG-CE2 3.67Å; R208-F339 HydrophobicContact CG-CZ 3.76Å; R208-F339 PolarHBondContact NH1-O 3.38Å |
| 209 | V | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 145.3 | 174.7 | -168.4 | 0 | 0 | 0 | 0 | 108.3 | I189 F190 F207 L258 P261 L262 I264 L293 | I189-V209 CarbonylContact O-C 3.55Å; I189-V209 WeakPolarHBondContact O-CA 3.45Å; F190-V209 HydrophobicContact CD1-CG1 4.21Å; F190-V209 HydrophobicContact CD1-CG2 3.87Å; F190-V209 HydrophobicContact CE1-CG1 4.07Å; F190-V209 HydrophobicContact CE1-CG2 4.06Å; F207-V209 HydrophobicContact CD2-CG2 3.65Å; F207-V209 HydrophobicContact CE2-CG2 3.41Å; F207-V209 VanDerWaalsContact CE2-CG2 3.41Å; V209-L258 HydrophobicContact CG1-CD2 4.2Å; V209-P261 CarbonylContact O-C 3.49Å; V209-P261 WeakPolarHBondContact O-CA 3.31Å; V209-P261 WeakPolarHBondContact O-CB 3.48Å; V209-L262 PolarHBondContact N-O 2.8Å; V209-L262 PolarHBondContact O-N 3.22Å; V209-I264 HydrophobicContact CG2-CG1 3.8Å; V209-L293 HydrophobicContact CG1-CD2 3.89Å |
| 210 | G | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 155.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I189 | I189-G210 WeakPolarHBondContact CG1-O 3.46Å; I189-G210 PolarHBondContact N-O 3.3Å; I189-G210 PolarHBondContact O-N 3.34Å |
| 211 | D | 93.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.7 | 167.7 | -170.4 | -4.4 | 0 | 0 | 0 | 108.8 | L188 R213 L258 Y336 | L188-D211 HydrophobicContact CD2-CB 3.93Å; D211-R213 PolarHBondContact O-N 2.77Å; D211-R213 WeakPolarHBondContact OD1-CB 3.42Å; D211-R213 PolarHBondContact OD1-N 3.02Å; D211-L258 HydrophobicContact CB-CD2 4.32Å; D211-Y336 PolarHBondContact O-OH 3.37Å |
| 212 | L | 89.6 | Confident | 92 | Very high | 99 Ų | 99 | 42.4 Ų | 42.4 | 52% | 0.518 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -75.2 | -13.6 | 176.4 | -69.9 | 172.9 | 0 | 0 | 0 | 112.8 | T187 I189 Y336 | T187-L212 PolarHBondContact O-N 3.25Å; T187-L212 VanDerWaalsContact O-N 3.14Å; I189-L212 HydrophobicContact CD1-CD2 3.84Å; I189-L212 HydrophobicContact CD1-CG 4.07Å; I189-L212 HydrophobicContact CG1-CG 4.24Å; I189-L212 HydrophobicContact CG2-CD1 3.65Å; I189-L212 HydrophobicContact CG2-CG 4.07Å; L212-Y336 HydrophobicContact CD2-CD1 4.01Å; L212-Y336 HydrophobicContact CD2-CE1 4.02Å; L212-Y336 HydrophobicContact CD2-CG 4.34Å |
| 213 | R | 88.6 | Confident | 92.1 | Very high | 125 Ų | 125 | 42.2 Ų | 42.2 | 47% | 0.472 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -99.7 | 158.6 | -176.9 | -163.4 | 179.9 | -87.9 | -119.3 | 1.3 | 111.5 | R184 D211 S215 | R184-R213 VanDerWaalsContact CZ-NH1 3.3Å; D211-R213 PolarHBondContact O-N 2.77Å; D211-R213 WeakPolarHBondContact OD1-CB 3.42Å; D211-R213 PolarHBondContact OD1-N 3.02Å; R213-S215 WeakPolarHBondContact CD-OG 3.34Å |
| 214 | K | 84.3 | Confident | 92.2 | Very high | 210 Ų | 210 | 42 Ų | 42 | 91% | 0.913 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -78.9 | -24.4 | 173.9 | -63.4 | -172.9 | 178.2 | -173.1 | 0 | 114.6 | ||
| 215 | S | 88.7 | Confident | 92.2 | Very high | 20 Ų | 20 | 44 Ų | 44 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -72.3 | 143.4 | 178.2 | 60.3 | 0 | 0 | 0 | 0 | 109.7 | R184 R213 | R184-S215 PolarHBondContact NH1-OG 2.97Å; R213-S215 WeakPolarHBondContact CD-OG 3.34Å |
| 216 | M | 88.4 | Confident | 92.1 | Very high | 73 Ų | 73 | 44 Ų | 44 | 36% | 0.36 | 21% | 0.212 | S | C | . | . | trans | -83.1 | 154.3 | -175.3 | -62.1 | -176.7 | -68.8 | 0 | 0 | 112.3 | F257 V259 E298 | M216-F257 HydrophobicContact SD-CE2 4.47Å; M216-F257 HydrophobicContact SD-CZ 4.46Å; M216-V259 HydrophobicContact CG-CG2 4.49Å; M216-V259 HydrophobicContact SD-CG2 4.36Å; M216-E298 WeakPolarHBondContact CE-OE1 3.34Å; M216-E298 PolarHBondContact N-OE2 3.35Å; M216-E298 VanDerWaalsContact O-CB 3.23Å; M216-E298 WeakPolarHBondContact O-CB 3.21Å; M216-E298 PolarHBondContact O-N 3.49Å | ||
| 217 | I | 91.3 | Very high | 92 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.7 | 162.7 | -56.7 | -58.9 | 0 | 0 | 0 | 107.7 | L188 A220 V296 V297 | L188-I217 HydrophobicContact CD2-CG1 4.13Å; I217-A220 HydrophobicContact CB-CB 4.47Å; I217-A220 HydrophobicContact CG2-CB 4.03Å; I217-V296 CarbonylContact C-O 3.57Å; I217-V296 WeakPolarHBondContact CA-O 3.36Å; I217-V297 HydrophobicContact CD1-CG2 4.07Å |
| 218 | I | 90.3 | Very high | 91.8 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 45% | 0.451 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.1 | -178.8 | -56.4 | 174.2 | 0 | 0 | 0 | 108.7 | A220 V296 E298 | I218-A220 VanDerWaalsContact C-N 3.26Å; I218-A220 PolarHBondContact O-N 2.82Å; I218-V296 HydrophobicContact CB-CB 4.32Å; I218-V296 PolarHBondContact N-O 3.38Å; I218-V296 PolarHBondContact O-N 2.99Å; I218-E298 HydrophobicContact CD1-CB 4.04Å; I218-E298 HydrophobicContact CD1-CG 4.25Å; I218-E298 HydrophobicContact CG1-CB 4.24Å |
| 219 | S | 89.8 | Confident | 91.5 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 60% | 0.601 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.7 | 44.4 | 179.2 | -157.5 | 0 | 0 | 0 | 0 | 112.4 | S221 | S219-S221 PolarHBondContact O-N 2.79Å |
| 220 | A | 92.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 127.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I217 I218 N255 I256 L293 E294 | I217-A220 HydrophobicContact CB-CB 4.47Å; I217-A220 HydrophobicContact CG2-CB 4.03Å; I218-A220 VanDerWaalsContact C-N 3.26Å; I218-A220 PolarHBondContact O-N 2.82Å; A220-N255 CarbonylContact O-C 3.59Å; A220-N255 WeakPolarHBondContact O-CA 3.33Å; A220-I256 HydrophobicContact CB-CD1 4.44Å; A220-I256 HydrophobicContact CB-CG1 3.77Å; A220-I256 PolarHBondContact O-N 2.91Å; A220-L293 HydrophobicContact CB-CD1 4.26Å; A220-E294 CarbonylContact C-O 3.54Å; A220-E294 VanDerWaalsContact CA-O 3.28Å; A220-E294 WeakPolarHBondContact CA-O 3.44Å |
| 221 | S | 92.8 | Very high | 91.2 | Very high | 19 Ų | 19 | 60 Ų | 60 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.1 | -179.3 | -165.4 | 0 | 0 | 0 | 0 | 110.3 | S219 N254 L293 E294 | S219-S221 PolarHBondContact O-N 2.79Å; S221-N254 WeakPolarHBondContact CA-O 3.45Å; S221-N254 PolarHBondContact OG-O 3.22Å; S221-L293 WeakPolarHBondContact O-CA 3.3Å; S221-E294 PolarHBondContact N-O 2.95Å; S221-E294 PolarHBondContact O-N 3.04Å |
| 222 | V | 94.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.3 | -179.6 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | F207 I224 V247 N254 I256 I264 V291 V292 L293 | F207-V222 HydrophobicContact CE2-CG1 4.42Å; F207-V222 HydrophobicContact CZ-CG1 3.87Å; V222-I224 HydrophobicContact CG1-CG1 4.44Å; V222-V247 HydrophobicContact CG1-CG2 4.38Å; V222-N254 PolarHBondContact N-O 3.06Å; V222-N254 WeakPolarHBondContact O-CB 3.41Å; V222-I256 HydrophobicContact CG2-CD1 3.56Å; V222-I256 HydrophobicContact CG2-CG1 4.11Å; V222-I256 HydrophobicContact CG2-CG2 4.36Å; V222-I264 HydrophobicContact CG1-CG2 4.15Å; V222-I264 HydrophobicContact CG2-CD1 4.22Å; V222-I264 HydrophobicContact CG2-CG1 4.4Å; V222-V291 HydrophobicContact CG1-CG1 4.26Å; V222-V292 CarbonylContact C-O 3.59Å; V222-V292 WeakPolarHBondContact CA-O 3.26Å; V222-L293 HydrophobicContact CG2-CD1 3.6Å |
| 223 | R | 93.2 | Very high | 91.4 | Very high | 120 Ų | 120 | 62.5 Ų | 62.5 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.6 | 173.9 | -59 | -177.9 | -175.4 | -172.6 | 3.4 | 109.7 | V292 E294 | R223-V292 HydrophobicContact CB-CB 4.39Å; R223-V292 PolarHBondContact N-O 3.15Å; R223-V292 PolarHBondContact O-N 2.77Å; R223-E294 IonicContact CZ-OE2 3.56Å; R223-E294 IonicContact NE-OE2 3.62Å; R223-E294 IonicContact NH2-OE2 2.75Å |
| 224 | I | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.3 | 178.1 | -53.9 | 166.5 | 0 | 0 | 0 | 107 | F207 V222 I245 V247 I264 H266 I290 V291 | F207-I224 HydrophobicContact CE1-CD1 3.61Å; F207-I224 HydrophobicContact CE1-CG1 3.94Å; F207-I224 HydrophobicContact CZ-CD1 4.13Å; F207-I224 HydrophobicContact CZ-CG1 4.12Å; V222-I224 HydrophobicContact CG1-CG1 4.44Å; I224-I245 HydrophobicContact CB-CB 4.17Å; I224-I245 HydrophobicContact CG2-CB 4.25Å; I224-I245 PolarHBondContact O-N 3.32Å; I224-V247 HydrophobicContact CD1-CG2 3.83Å; I224-V247 HydrophobicContact CG1-CG2 4.25Å; I224-I264 HydrophobicContact CD1-CG2 4.43Å; I224-H266 HydrophobicContact CD1-CB 4.28Å; I224-I290 CarbonylContact C-O 3.52Å; I224-I290 WeakPolarHBondContact CA-O 3.26Å; I224-V291 HydrophobicContact CG1-CG2 4.46Å |
| 225 | Q | 94.1 | Very high | 92.1 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 20% | 0.201 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.8 | 176.9 | -47.9 | -168.6 | -58.3 | 0 | 0 | 109.6 | V243 D244 L289 I290 | Q225-V243 CarbonylContact C-O 3.59Å; Q225-V243 WeakPolarHBondContact CA-O 3.5Å; Q225-D244 WeakPolarHBondContact CG-OD1 3.25Å; Q225-D244 PolarHBondContact NE2-OD1 2.9Å; Q225-L289 CarbonylContact O-C 3.55Å; Q225-L289 WeakPolarHBondContact O-CA 3.41Å; Q225-I290 HydrophobicContact CB-CB 4.41Å; Q225-I290 PolarHBondContact N-O 3.06Å; Q225-I290 PolarHBondContact O-N 3.18Å |
| 226 | V | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.9 | 170.6 | -170 | 0 | 0 | 0 | 0 | 108.9 | H241 Q242 V243 I245 P273 L287 L289 | V226-H241 VanDerWaalsContact O-O 3.13Å; V226-Q242 WeakPolarHBondContact O-CA 3.24Å; V226-V243 PolarHBondContact N-O 3.23Å; V226-V243 PolarHBondContact O-N 3.05Å; V226-I245 HydrophobicContact CG2-CD1 3.11Å; V226-I245 HydrophobicContact CG2-CG1 3.63Å; V226-P273 HydrophobicContact CB-CG 4.1Å; V226-P273 HydrophobicContact CG2-CB 4.49Å; V226-P273 HydrophobicContact CG2-CG 3.44Å; V226-P273 VanDerWaalsContact CG2-CG 3.44Å; V226-L287 HydrophobicContact CG1-CD1 3.44Å; V226-L287 VanDerWaalsContact CG1-CD1 3.44Å; V226-L287 HydrophobicContact CG1-CG 3.93Å; V226-L289 HydrophobicContact CB-CD2 3.98Å; V226-L289 HydrophobicContact CG1-CD2 4.02Å; V226-L289 HydrophobicContact CG2-CD2 3.33Å |
| 227 | V | 93.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 61.4 Ų | 61.4 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.4 | 171.3 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | I240 H241 Q242 E288 I290 | V227-I240 HydrophobicContact CG1-CG2 3.6Å; V227-H241 WeakPolarHBondContact CA-O 3.48Å; V227-Q242 HydrophobicContact CG2-CG 4.08Å; V227-E288 HydrophobicContact CB-CB 4.45Å; V227-E288 PolarHBondContact N-O 3.26Å; V227-E288 PolarHBondContact O-N 3.31Å; V227-I290 HydrophobicContact CB-CD1 4.48Å; V227-I290 HydrophobicContact CG2-CD1 3.3Å; V227-I290 HydrophobicContact CG2-CG1 3.99Å |
| 228 | R | 90.8 | Very high | 92.8 | Very high | 79 Ų | 79 | 63 Ų | 63 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.3 | 173.9 | 68.2 | 178.8 | -172.4 | -169.6 | -1.2 | 110.6 | T230 H241 P273 | R228-T230 PolarHBondContact O-N 2.9Å; R228-H241 PolarHBondContact N-O 3.17Å; R228-H241 VanDerWaalsContact O-CB 3.31Å; R228-H241 WeakPolarHBondContact O-CB 3.39Å; R228-H241 PolarHBondContact O-N 3.02Å; R228-P273 PolarHBondContact NH1-O 3.22Å |
| 229 | K | 90.1 | Very high | 92.7 | Very high | 147 Ų | 147 | 63.3 Ų | 63.3 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 121.9 | 169 | -174.3 | 177.3 | 179.9 | -177.5 | 0 | 108.6 | V237 | K229-V237 HydrophobicContact CD-CG1 4.41Å; K229-V237 HydrophobicContact CG-CG1 4.31Å |
| 230 | T | 89.8 | Confident | 92.7 | Very high | 28 Ų | 28 | 62.9 Ų | 62.9 | 17% | 0.172 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.8 | -179.7 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | R228 I238 H241 | R228-T230 PolarHBondContact O-N 2.9Å; T230-I238 PolarHBondContact N-O 3.42Å; T230-I238 VanDerWaalsContact N-O 3.13Å; T230-I238 PolarHBondContact O-N 3.04Å; T230-H241 WeakPolarHBondContact CB-ND1 3.34Å; T230-H241 WeakPolarHBondContact OG1-CB 3.43Å; T230-H241 PolarHBondContact OG1-ND1 3.4Å |
| 231 | T | 93 | Very high | 92.7 | Very high | 86 Ų | 86 | 65.7 Ų | 65.7 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.3 | 170.1 | -51.6 | 0 | 0 | 0 | 0 | 107.6 | E236 V237 | T231-E236 CarbonylContact C-O 3.52Å; T231-E236 VanDerWaalsContact CA-O 3.29Å; T231-E236 WeakPolarHBondContact CA-O 3.41Å; T231-V237 HydrophobicContact CG2-CG2 3.94Å |
| 232 | T | 93.6 | Very high | 92.7 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | trans | -73 | 159 | 178.6 | 76.5 | 0 | 0 | 0 | 0 | 110 | E234 G235 E236 I238 | T232-E234 WeakPolarHBondContact CB-OE2 3.43Å; T232-E234 PolarHBondContact O-N 3.03Å; T232-E234 PolarHBondContact OG1-N 3.47Å; T232-E234 PolarHBondContact OG1-OE2 2.98Å; T232-G235 PolarHBondContact O-N 3.23Å; T232-E236 HydrophobicContact CG2-CB 4.1Å; T232-E236 PolarHBondContact N-O 3.07Å; T232-E236 WeakPolarHBondContact OG1-CB 3.49Å; T232-E236 PolarHBondContact OG1-N 3.2Å; T232-E236 VanDerWaalsContact OG1-N 3.16Å; T232-I238 HydrophobicContact CG2-CD1 3.94Å; T232-I238 HydrophobicContact CG2-CG1 4.42Å | ||
| 233 | P | 93.1 | Very high | 92.5 | Very high | 128 Ų | 128 | 71 Ų | 71 | 83% | 0.831 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.1 | 176.8 | 23.2 | -31.4 | 0 | 0 | 0 | 113.2 | G235 | P233-G235 PolarHBondContact O-N 3.4Š|
| 234 | E | 95 | Very high | 92.5 | Very high | 156 Ų | 156 | 70.2 Ų | 70.2 | 73% | 0.729 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -6.3 | 173.5 | -55.1 | 73.9 | -158 | 0 | 0 | 113.1 | T232 | T232-E234 WeakPolarHBondContact CB-OE2 3.43Å; T232-E234 PolarHBondContact O-N 3.03Å; T232-E234 PolarHBondContact OG1-N 3.47Å; T232-E234 PolarHBondContact OG1-OE2 2.98Å |
| 235 | G | 93.1 | Very high | 92.2 | Very high | 51 Ų | 51 | 70.5 Ų | 70.5 | 53% | 0.526 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 92.3 | 5.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T232 P233 V237 | T232-G235 PolarHBondContact O-N 3.23Å; P233-G235 PolarHBondContact O-N 3.4Å; G235-V237 PolarHBondContact O-N 2.92Å |
| 236 | E | 95.1 | Very high | 91.8 | Very high | 127 Ų | 127 | 72 Ų | 72 | 59% | 0.593 | 39% | 0.394 | S | S | * | . | trans | -73.4 | 126.6 | 175.7 | -173 | -175.9 | 175.7 | 0 | 0 | 110.4 | T231 T232 | T231-E236 CarbonylContact C-O 3.52Å; T231-E236 VanDerWaalsContact CA-O 3.29Å; T231-E236 WeakPolarHBondContact CA-O 3.41Å; T232-E236 HydrophobicContact CG2-CB 4.1Å; T232-E236 PolarHBondContact N-O 3.07Å; T232-E236 WeakPolarHBondContact OG1-CB 3.49Å; T232-E236 PolarHBondContact OG1-N 3.2Å; T232-E236 VanDerWaalsContact OG1-N 3.16Å | ||
| 237 | V | 93.9 | Very high | 91.3 | Very high | 70 Ų | 70 | 72.7 Ų | 72.7 | 42% | 0.424 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 108.6 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | K229 T231 G235 P239 | K229-V237 HydrophobicContact CD-CG1 4.41Å; K229-V237 HydrophobicContact CG-CG1 4.31Å; T231-V237 HydrophobicContact CG2-CG2 3.94Å; G235-V237 PolarHBondContact O-N 2.92Å; V237-P239 WeakPolarHBondContact O-CD 3.16Å |
| 238 | I | 93.2 | Very high | 90.5 | Very high | 47 Ų | 47 | 76.5 Ų | 76.5 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 111.6 | 176.3 | -55.6 | 172.9 | 0 | 0 | 0 | 108.6 | T230 T232 I240 H241 | T230-I238 PolarHBondContact N-O 3.42Å; T230-I238 VanDerWaalsContact N-O 3.13Å; T230-I238 PolarHBondContact O-N 3.04Å; T232-I238 HydrophobicContact CG2-CD1 3.94Å; T232-I238 HydrophobicContact CG2-CG1 4.42Å; I238-I240 PolarHBondContact O-N 3.47Å; I238-H241 HydrophobicContact CB-CB 4.27Å; I238-H241 HydrophobicContact CG2-CB 3.85Å |
| 239 | P | 89.1 | Confident | 89.8 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 62% | 0.623 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -37.6 | -174.6 | -22.5 | 34.7 | 0 | 0 | 0 | 113.7 | V237 | V237-P239 WeakPolarHBondContact O-CD 3.16Å |
| 240 | I | 90.1 | Very high | 88.8 | Confident | 77 Ų | 77 | 73.8 Ų | 73.8 | 40% | 0.395 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 79.2 | -177.1 | -56.6 | 175.6 | 0 | 0 | 0 | 107.1 | F36 V227 I238 Q242 | F36-I240 HydrophobicContact CD2-CD1 4.06Å; F36-I240 HydrophobicContact CD2-CG2 4.37Å; F36-I240 HydrophobicContact CE2-CD1 3.83Å; F36-I240 HydrophobicContact CE2-CG2 3.99Å; F36-I240 HydrophobicContact CZ-CG2 4.37Å; V227-I240 HydrophobicContact CG1-CG2 3.6Å; I238-I240 PolarHBondContact O-N 3.47Å; I240-Q242 HydrophobicContact CG2-CG 4.26Å |
| 241 | H | 91.8 | Very high | 87.9 | Confident | 60 Ų | 60 | 79 Ų | 79 | 28% | 0.278 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.4 | 174.7 | -175.5 | -140.1 | 0 | 0 | 0 | 108.8 | V226 V227 R228 T230 I238 V243 | V226-H241 VanDerWaalsContact O-O 3.13Å; V227-H241 WeakPolarHBondContact CA-O 3.48Å; R228-H241 PolarHBondContact N-O 3.17Å; R228-H241 VanDerWaalsContact O-CB 3.31Å; R228-H241 WeakPolarHBondContact O-CB 3.39Å; R228-H241 PolarHBondContact O-N 3.02Å; T230-H241 WeakPolarHBondContact CB-ND1 3.34Å; T230-H241 WeakPolarHBondContact OG1-CB 3.43Å; T230-H241 PolarHBondContact OG1-ND1 3.4Å; I238-H241 HydrophobicContact CB-CB 4.27Å; I238-H241 HydrophobicContact CG2-CB 3.85Å; H241-V243 WeakPolarHBondContact CE1-CG2 3.49Å |
| 242 | Q | 92.2 | Very high | 86.7 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119 | 179.7 | -55.5 | -177.7 | 13.2 | 0 | 0 | 108.6 | V226 V227 I240 | V226-Q242 WeakPolarHBondContact O-CA 3.24Å; V227-Q242 HydrophobicContact CG2-CG 4.08Å; I240-Q242 HydrophobicContact CG2-CG 4.26Å |
| 243 | V | 91.6 | Very high | 85.8 | Confident | 40 Ų | 40 | 83.5 Ų | 83.5 | 24% | 0.242 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.3 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | Q225 V226 H241 P273 | Q225-V243 CarbonylContact C-O 3.59Å; Q225-V243 WeakPolarHBondContact CA-O 3.5Å; V226-V243 PolarHBondContact N-O 3.23Å; V226-V243 PolarHBondContact O-N 3.05Å; H241-V243 WeakPolarHBondContact CE1-CG2 3.49Å; V243-P273 HydrophobicContact CG1-CG 4.27Å |
| 244 | D | 91.4 | Very high | 85.3 | Confident | 105 Ų | 105 | 79.9 Ų | 79.9 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 140 | 178.3 | -73.9 | -8.9 | 0 | 0 | 0 | 111.4 | Q225 | Q225-D244 WeakPolarHBondContact CG-OD1 3.25Å; Q225-D244 PolarHBondContact NE2-OD1 2.9Å |
| 245 | I | 88.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 76.6 Ų | 76.6 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128 | 177.5 | -73 | -168.6 | 0 | 0 | 0 | 109.5 | I224 V226 H266 P273 L274 L289 | I224-I245 HydrophobicContact CB-CB 4.17Å; I224-I245 HydrophobicContact CG2-CB 4.25Å; I224-I245 PolarHBondContact O-N 3.32Å; V226-I245 HydrophobicContact CG2-CD1 3.11Å; V226-I245 HydrophobicContact CG2-CG1 3.63Å; I245-H266 HydrophobicContact CG2-CB 4.13Å; I245-H266 VanDerWaalsContact CG2-CD2 3.46Å; I245-H266 WeakPolarHBondContact CG2-CD2 3.35Å; I245-H266 WeakPolarHBondContact CG2-CE1 3.42Å; I245-H266 WeakPolarHBondContact CG2-ND1 3.28Å; I245-H266 WeakPolarHBondContact CG2-NE2 3.39Å; I245-P273 HydrophobicContact CD1-CG 3.77Å; I245-P273 HydrophobicContact CG1-CG 3.88Å; I245-L274 HydrophobicContact CD1-CD1 4.22Å; I245-L274 HydrophobicContact CD1-CG 4.32Å; I245-L289 HydrophobicContact CD1-CD2 4.43Å |
| 246 | P | 84.7 | Confident | 84.8 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 47% | 0.474 | 41% | 0.41 | S | S | . | . | trans | -71 | 138.8 | 174.3 | 29.5 | -33.8 | 0 | 0 | 0 | 111.5 | H266 | P246-H266 PolarHBondContact O-ND1 3.17Š| ||
| 247 | V | 84.7 | Confident | 84.6 | Confident | 17 Ų | 17 | 76.9 Ų | 76.9 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | trans | -79 | 141.6 | 171.2 | 179.6 | 0 | 0 | 0 | 0 | 109 | V222 I224 N249 I264 C265 | V222-V247 HydrophobicContact CG1-CG2 4.38Å; I224-V247 HydrophobicContact CD1-CG2 3.83Å; I224-V247 HydrophobicContact CG1-CG2 4.25Å; V247-N249 PolarHBondContact O-N 2.81Å; V247-I264 HydrophobicContact CG1-CG2 3.62Å; V247-I264 HydrophobicContact CG2-CG2 4.12Å; V247-C265 WeakPolarHBondContact CG1-O 3.37Å | ||
| 248 | D | 76.3 | Confident | 84.4 | Confident | 93 Ų | 93 | 73.8 Ų | 73.8 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | trans | -72.2 | 99.8 | 177.3 | -173.1 | 34.6 | 0 | 0 | 0 | 109.8 | C265 V267 | D248-C265 VanDerWaalsContact CB-O 3.27Å; D248-C265 WeakPolarHBondContact CB-O 3.39Å; D248-C265 PolarHBondContact N-O 2.98Å; D248-V267 HydrophobicContact CB-CG2 3.84Å; D248-V267 WeakPolarHBondContact OD2-CG2 3.08Å | ||
| 249 | N | 74.9 | Confident | 84.2 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 22% | 0.219 | 41% | 0.408 | C | S | . | . | trans | -132.4 | 131.1 | 173.5 | -165.7 | -14.8 | 0 | 0 | 0 | 108.8 | V247 I251 E252 S253 N255 | V247-N249 PolarHBondContact O-N 2.81Å; N249-I251 PolarHBondContact O-N 2.96Å; N249-E252 PolarHBondContact O-N 2.88Å; N249-S253 WeakPolarHBondContact CB-O 3.42Å; N249-S253 PolarHBondContact ND2-O 2.84Å; N249-S253 PolarHBondContact ND2-OG 3.17Å; N249-N255 PolarHBondContact ND2-O 3.15Å | ||
| 250 | P | 68.6 | Low | 84.3 | Confident | 129 Ų | 129 | 72.8 Ų | 72.8 | 84% | 0.838 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -23.1 | 177.6 | 18.1 | -34.5 | 0 | 0 | 0 | 115.2 | ||
| 251 | I | 72.6 | Confident | 84.5 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 71% | 0.708 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 8 | -179.7 | -51.7 | 172.7 | 0 | 0 | 0 | 111 | N249 S253 | N249-I251 PolarHBondContact O-N 2.96Å; I251-S253 PolarHBondContact O-N 3.42Å |
| 252 | E | 67 | Low | 84.6 | Confident | 173 Ų | 173 | 69.9 Ų | 69.9 | 81% | 0.808 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 52.9 | 14.4 | -173.7 | -62.1 | -169.7 | 160.1 | 0 | 0 | 114.6 | N249 | N249-E252 PolarHBondContact O-N 2.88Š|
| 253 | S | 74.9 | Confident | 84.7 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 25% | 0.245 | 38% | 0.376 | C | S | . | . | trans | -91.2 | 140.7 | 176.3 | 72.8 | 0 | 0 | 0 | 0 | 110.6 | N249 I251 N255 | N249-S253 WeakPolarHBondContact CB-O 3.42Å; N249-S253 PolarHBondContact ND2-O 2.84Å; N249-S253 PolarHBondContact ND2-OG 3.17Å; I251-S253 PolarHBondContact O-N 3.42Å; S253-N255 PolarHBondContact O-N 2.95Å | ||
| 254 | N | 82 | Confident | 84.9 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | trans | -80.8 | 8.8 | 175 | -70.9 | -26 | 0 | 0 | 0 | 113 | S221 V222 | S221-N254 WeakPolarHBondContact CA-O 3.45Å; S221-N254 PolarHBondContact OG-O 3.22Å; V222-N254 PolarHBondContact N-O 3.06Å; V222-N254 WeakPolarHBondContact O-CB 3.41Å | ||
| 255 | N | 88 | Confident | 84.9 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.3 | -173.9 | -63.1 | -19.4 | 0 | 0 | 0 | 110.5 | A220 N249 S253 | A220-N255 CarbonylContact O-C 3.59Å; A220-N255 WeakPolarHBondContact O-CA 3.33Å; N249-N255 PolarHBondContact ND2-O 3.15Å; S253-N255 PolarHBondContact O-N 2.95Å |
| 256 | I | 89.8 | Confident | 85.2 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.4 | 179.3 | 63.8 | 164.1 | 0 | 0 | 0 | 110.4 | A220 V222 L258 L262 I264 L293 | A220-I256 HydrophobicContact CB-CD1 4.44Å; A220-I256 HydrophobicContact CB-CG1 3.77Å; A220-I256 PolarHBondContact O-N 2.91Å; V222-I256 HydrophobicContact CG2-CD1 3.56Å; V222-I256 HydrophobicContact CG2-CG1 4.11Å; V222-I256 HydrophobicContact CG2-CG2 4.36Å; I256-L258 HydrophobicContact CD1-CB 4.14Å; I256-L258 HydrophobicContact CD1-CD1 4.41Å; I256-L262 HydrophobicContact CB-CD1 4.39Å; I256-I264 HydrophobicContact CD1-CD1 4.17Å; I256-I264 HydrophobicContact CG2-CD1 3.93Å; I256-L293 HydrophobicContact CD1-CD1 3.93Å; I256-L293 HydrophobicContact CG1-CD1 4.5Å |
| 257 | F | 90.2 | Very high | 85.5 | Confident | 153 Ų | 153 | 60 Ų | 60 | 67% | 0.671 | 33% | 0.326 | S | S | * | . | trans | -104.9 | 92.5 | 171.7 | -176 | -109.5 | 0 | 0 | 0 | 109.6 | M216 V259 L262 | M216-F257 HydrophobicContact SD-CE2 4.47Å; M216-F257 HydrophobicContact SD-CZ 4.46Å; F257-V259 HydrophobicContact CD1-CG2 4.04Å; F257-V259 HydrophobicContact CE1-CB 4.18Å; F257-V259 HydrophobicContact CE1-CG2 3.35Å; F257-V259 HydrophobicContact CE2-CG2 4.09Å; F257-V259 HydrophobicContact CZ-CG2 3.38Å; F257-V259 PolarHBondContact O-N 3.37Å; F257-L262 WeakPolarHBondContact O-CD1 3.28Å | ||
| 258 | L | 90.7 | Very high | 85.9 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | trans | -92.7 | 88.1 | -171.2 | -171.5 | 68.7 | 0 | 0 | 0 | 111.6 | L188 V209 D211 I256 L262 L293 | L188-L258 HydrophobicContact CD2-CD2 4.01Å; V209-L258 HydrophobicContact CG1-CD2 4.2Å; D211-L258 HydrophobicContact CB-CD2 4.32Å; I256-L258 HydrophobicContact CD1-CB 4.14Å; I256-L258 HydrophobicContact CD1-CD1 4.41Å; L258-L262 HydrophobicContact CD1-CB 4.47Å; L258-L262 HydrophobicContact CD1-CD1 4.42Å; L258-L262 HydrophobicContact CD1-CG 4.29Å; L258-L293 HydrophobicContact CD2-CD2 4.02Å | ||
| 259 | V | 89.3 | Confident | 86.6 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 52% | 0.515 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -111.4 | -50.5 | 170.7 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | M216 F257 | M216-V259 HydrophobicContact CG-CG2 4.49Å; M216-V259 HydrophobicContact SD-CG2 4.36Å; F257-V259 HydrophobicContact CD1-CG2 4.04Å; F257-V259 HydrophobicContact CE1-CB 4.18Å; F257-V259 HydrophobicContact CE1-CG2 3.35Å; F257-V259 HydrophobicContact CE2-CG2 4.09Å; F257-V259 HydrophobicContact CZ-CG2 3.38Å; F257-V259 PolarHBondContact O-N 3.37Å |
| 260 | A | 91.3 | Very high | 87.3 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -99.6 | 158.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L262 | A260-L262 WeakPolarHBondContact O-CG 3.47Å; A260-L262 PolarHBondContact O-N 2.95Å |
| 261 | P | 94.4 | Very high | 88.2 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | trans | -59.6 | 131.5 | 176.9 | -26.9 | 36.3 | 0 | 0 | 0 | 112.9 | R208 V209 I324 V334 Y336 F339 | R208-P261 HydrophobicContact CG-CB 4.27Å; V209-P261 CarbonylContact O-C 3.49Å; V209-P261 WeakPolarHBondContact O-CA 3.31Å; V209-P261 WeakPolarHBondContact O-CB 3.48Å; P261-I324 HydrophobicContact CB-CD1 3.75Å; P261-I324 HydrophobicContact CG-CD1 3.79Å; P261-V334 HydrophobicContact CG-CG1 3.83Å; P261-Y336 HydrophobicContact CG-CE1 3.68Å; P261-F339 HydrophobicContact CB-CD2 4.22Å; P261-F339 HydrophobicContact CB-CE2 3.82Å; P261-F339 HydrophobicContact CG-CD2 4.3Å; P261-F339 HydrophobicContact CG-CE2 4.14Å | ||
| 262 | L | 93.7 | Very high | 89.1 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 34% | 0.335 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.2 | -177.8 | -63.7 | 178.8 | 0 | 0 | 0 | 110.7 | R208 V209 I256 F257 L258 A260 | R208-L262 WeakPolarHBondContact CA-O 3.35Å; V209-L262 PolarHBondContact N-O 2.8Å; V209-L262 PolarHBondContact O-N 3.22Å; I256-L262 HydrophobicContact CB-CD1 4.39Å; F257-L262 WeakPolarHBondContact O-CD1 3.28Å; L258-L262 HydrophobicContact CD1-CB 4.47Å; L258-L262 HydrophobicContact CD1-CD1 4.42Å; L258-L262 HydrophobicContact CD1-CG 4.29Å; A260-L262 WeakPolarHBondContact O-CG 3.47Å; A260-L262 PolarHBondContact O-N 2.95Å |
| 263 | I | 94.7 | Very high | 90.2 | Very high | 63 Ų | 63 | 52.3 Ų | 52.3 | 32% | 0.323 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 110.3 | 168.1 | -59.9 | 170.6 | 0 | 0 | 0 | 106.8 | M206 F207 R208 F321 | M206-I263 HydrophobicContact CB-CG2 3.81Å; M206-I263 HydrophobicContact CG-CG2 4.05Å; M206-I263 HydrophobicContact SD-CG2 4.2Å; F207-I263 CarbonylContact O-C 3.56Å; F207-I263 WeakPolarHBondContact O-CA 3.42Å; R208-I263 HydrophobicContact CB-CG1 4.5Å; I263-F321 HydrophobicContact CD1-CB 3.89Å; I263-F321 HydrophobicContact CD1-CD2 4.12Å; I263-F321 HydrophobicContact CD1-CG 4.39Å; I263-F321 HydrophobicContact CG1-CD2 4.2Å; I263-F321 HydrophobicContact CG2-CD2 4.17Å |
| 264 | I | 94.4 | Very high | 90.9 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 132.5 | 171.4 | -53.2 | -55.6 | 0 | 0 | 0 | 107.6 | M206 F207 V209 V222 I224 V247 I256 | M206-I264 VanDerWaalsContact CA-O 3.25Å; M206-I264 WeakPolarHBondContact CA-O 3.04Å; F207-I264 HydrophobicContact CD1-CB 4.37Å; F207-I264 HydrophobicContact CD2-CB 4.28Å; F207-I264 HydrophobicContact CD2-CG1 4.43Å; F207-I264 HydrophobicContact CE1-CB 3.86Å; F207-I264 HydrophobicContact CE1-CG2 3.82Å; F207-I264 HydrophobicContact CE2-CB 3.74Å; F207-I264 HydrophobicContact CE2-CG1 3.75Å; F207-I264 HydrophobicContact CE2-CG2 4.26Å; F207-I264 HydrophobicContact CZ-CB 3.53Å; F207-I264 HydrophobicContact CZ-CG1 3.94Å; F207-I264 HydrophobicContact CZ-CG2 3.56Å; F207-I264 PolarHBondContact N-O 3.15Å; F207-I264 VanDerWaalsContact N-O 3.16Å; F207-I264 PolarHBondContact O-N 3.19Å; V209-I264 HydrophobicContact CG2-CG1 3.8Å; V222-I264 HydrophobicContact CG1-CG2 4.15Å; V222-I264 HydrophobicContact CG2-CD1 4.22Å; V222-I264 HydrophobicContact CG2-CG1 4.4Å; I224-I264 HydrophobicContact CD1-CG2 4.43Å; V247-I264 HydrophobicContact CG1-CG2 3.62Å; V247-I264 HydrophobicContact CG2-CG2 4.12Å; I256-I264 HydrophobicContact CD1-CD1 4.17Å; I256-I264 HydrophobicContact CG2-CD1 3.93Å |
| 265 | C | 92.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.9 | -174.5 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | C204 M206 V247 D248 | C204-C265 VanDerWaalsContact CB-SG 3.58Å; M206-C265 HydrophobicContact CG-CB 4.21Å; V247-C265 WeakPolarHBondContact CG1-O 3.37Å; D248-C265 VanDerWaalsContact CB-O 3.27Å; D248-C265 WeakPolarHBondContact CB-O 3.39Å; D248-C265 PolarHBondContact N-O 2.98Å |
| 266 | H | 93.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.4 | 168 | 165.2 | 59.6 | 0 | 0 | 0 | 108 | C204 F205 I224 I245 P246 S272 | C204-H266 CarbonylContact C-O 3.57Å; C204-H266 VanDerWaalsContact CA-O 3.22Å; C204-H266 WeakPolarHBondContact CA-O 3.13Å; F205-H266 HydrophobicContact CB-CB 4.39Å; F205-H266 HydrophobicContact CD1-CB 4.48Å; F205-H266 PolarHBondContact N-O 2.88Å; F205-H266 PolarHBondContact O-N 3.16Å; I224-H266 HydrophobicContact CD1-CB 4.28Å; I245-H266 HydrophobicContact CG2-CB 4.13Å; I245-H266 VanDerWaalsContact CG2-CD2 3.46Å; I245-H266 WeakPolarHBondContact CG2-CD2 3.35Å; I245-H266 WeakPolarHBondContact CG2-CE1 3.42Å; I245-H266 WeakPolarHBondContact CG2-ND1 3.28Å; I245-H266 WeakPolarHBondContact CG2-NE2 3.39Å; P246-H266 PolarHBondContact O-ND1 3.17Å; H266-S272 WeakPolarHBondContact NE2-CB 3.26Å; H266-S272 PolarHBondContact NE2-OG 3.4Å |
| 267 | V | 92.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 49 Ų | 49 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.8 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 108.7 | K202 D248 D269 | K202-V267 HydrophobicContact CB-CG1 4.06Å; K202-V267 HydrophobicContact CD-CG1 3.6Å; K202-V267 HydrophobicContact CG-CG1 4.47Å; D248-V267 HydrophobicContact CB-CG2 3.84Å; D248-V267 WeakPolarHBondContact OD2-CG2 3.08Å; V267-D269 VanDerWaalsContact C-N 3.3Å; V267-D269 PolarHBondContact O-N 3.28Å |
| 268 | I | 93.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | trans | -77.6 | 86.8 | 177.4 | -55.7 | 172.1 | 0 | 0 | 0 | 107.6 | I196 L203 F205 L274 A352 | I196-I268 HydrophobicContact CG2-CD1 4.38Å; L203-I268 HydrophobicContact CD2-CD1 3.91Å; L203-I268 HydrophobicContact CG-CD1 4.11Å; L203-I268 WeakPolarHBondContact O-CB 3.1Å; L203-I268 PolarHBondContact O-N 3.15Å; F205-I268 HydrophobicContact CB-CD1 4.45Å; I268-L274 HydrophobicContact CD1-CB 4.38Å; I268-L274 HydrophobicContact CG1-CB 4.41Å; I268-L274 HydrophobicContact CG2-CB 4Å; I268-A352 HydrophobicContact CB-CB 4.15Å; I268-A352 HydrophobicContact CG2-CB 3.55Å | ||
| 269 | D | 89.8 | Confident | 91.8 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 20% | 0.198 | 22% | 0.222 | C | C | . | . | trans | -93.7 | 179.3 | 174.9 | 75.1 | -8.4 | 0 | 0 | 0 | 111.5 | V267 R271 S272 Y275 | V267-D269 VanDerWaalsContact C-N 3.3Å; V267-D269 PolarHBondContact O-N 3.28Å; D269-R271 PolarHBondContact O-N 2.89Å; D269-R271 VanDerWaalsContact O-N 3.08Å; D269-R271 WeakPolarHBondContact OD1-CA 3.27Å; D269-R271 WeakPolarHBondContact OD1-CB 3.39Å; D269-R271 PolarHBondContact OD1-N 3.06Å; D269-R271 IonicContact OD2-CZ 2.54Å; D269-R271 IonicContact OD2-NE 3.04Å; D269-R271 PolarHBondContact OD2-NE 2.87Å; D269-R271 IonicContact OD2-NH2 3.48Å; D269-R271 PolarHBondContact OD2-NH2 2.97Å; D269-S272 VanDerWaalsContact O-CB 3.27Å; D269-S272 WeakPolarHBondContact O-CB 3.26Å; D269-S272 PolarHBondContact O-N 3.38Å; D269-S272 PolarHBondContact OD1-N 3.24Å; D269-Y275 VanDerWaalsContact C-CD2 3.43Å; D269-Y275 WeakPolarHBondContact O-CB 3.42Å; D269-Y275 WeakPolarHBondContact O-CD2 3.48Å | ||
| 270 | K | 90.4 | Very high | 91.8 | Very high | 159 Ų | 159 | 42.4 Ų | 42.4 | 69% | 0.691 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20.7 | 177 | -70.3 | 177.5 | 179.8 | -176 | 0 | 114.4 | Y275 | K270-Y275 HydrophobicContact CB-CE1 4.43Å; K270-Y275 WeakPolarHBondContact CE-OH 3.4Å; K270-Y275 HydrophobicContact CG-CE1 3.84Å; K270-Y275 HydrophobicContact CG-CE2 3.87Å; K270-Y275 VanDerWaalsContact CG-CZ 3.43Å; K270-Y275 WeakPolarHBondContact CG-OH 3.32Å |
| 271 | R | 87.8 | Confident | 91.8 | Very high | 200 Ų | 200 | 43.7 Ų | 43.7 | 76% | 0.755 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -17.7 | 179.5 | -63.8 | 175.7 | -69.8 | -167.7 | 1.5 | 111.6 | D269 | D269-R271 PolarHBondContact O-N 2.89Å; D269-R271 VanDerWaalsContact O-N 3.08Å; D269-R271 WeakPolarHBondContact OD1-CA 3.27Å; D269-R271 WeakPolarHBondContact OD1-CB 3.39Å; D269-R271 PolarHBondContact OD1-N 3.06Å; D269-R271 IonicContact OD2-CZ 2.54Å; D269-R271 IonicContact OD2-NE 3.04Å; D269-R271 PolarHBondContact OD2-NE 2.87Å; D269-R271 IonicContact OD2-NH2 3.48Å; D269-R271 PolarHBondContact OD2-NH2 2.97Å |
| 272 | S | 90.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -69.2 | 134.2 | 178 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | H266 D269 L274 Y275 | H266-S272 WeakPolarHBondContact NE2-CB 3.26Å; H266-S272 PolarHBondContact NE2-OG 3.4Å; D269-S272 VanDerWaalsContact O-CB 3.27Å; D269-S272 WeakPolarHBondContact O-CB 3.26Å; D269-S272 PolarHBondContact O-N 3.38Å; D269-S272 PolarHBondContact OD1-N 3.24Å; S272-L274 PolarHBondContact O-N 3.22Å; S272-L274 PolarHBondContact OG-N 3.48Å; S272-Y275 VanDerWaalsContact O-CB 3.25Å; S272-Y275 WeakPolarHBondContact O-CB 3.25Å; S272-Y275 PolarHBondContact O-N 2.85Å; S272-Y275 VanDerWaalsContact O-N 3.07Å |
| 273 | P | 89.5 | Confident | 91.2 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -7.1 | 174.2 | 29.9 | -35.9 | 0 | 0 | 0 | 113.1 | V226 R228 V243 I245 | V226-P273 HydrophobicContact CB-CG 4.1Å; V226-P273 HydrophobicContact CG2-CB 4.49Å; V226-P273 HydrophobicContact CG2-CG 3.44Å; V226-P273 VanDerWaalsContact CG2-CG 3.44Å; R228-P273 PolarHBondContact NH1-O 3.22Å; V243-P273 HydrophobicContact CG1-CG 4.27Å; I245-P273 HydrophobicContact CD1-CG 3.77Å; I245-P273 HydrophobicContact CG1-CG 3.88Å |
| 274 | L | 91.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.5 | 175.4 | -56.1 | 177.2 | 0 | 0 | 0 | 113.2 | F205 I245 I268 S272 D276 I277 L287 L289 | F205-L274 HydrophobicContact CB-CD1 4.47Å; I245-L274 HydrophobicContact CD1-CD1 4.22Å; I245-L274 HydrophobicContact CD1-CG 4.32Å; I268-L274 HydrophobicContact CD1-CB 4.38Å; I268-L274 HydrophobicContact CG1-CB 4.41Å; I268-L274 HydrophobicContact CG2-CB 4Å; S272-L274 PolarHBondContact O-N 3.22Å; S272-L274 PolarHBondContact OG-N 3.48Å; L274-D276 PolarHBondContact O-N 3.46Å; L274-I277 HydrophobicContact CB-CD1 4.48Å; L274-I277 HydrophobicContact CD2-CD1 3.69Å; L274-I277 PolarHBondContact O-N 3.49Å; L274-L287 HydrophobicContact CD2-CD1 3.76Å; L274-L287 HydrophobicContact CD2-CD2 4.01Å; L274-L289 HydrophobicContact CD1-CD1 4.38Å |
| 275 | Y | 92.7 | Very high | 90.3 | Very high | 24 Ų | 24 | 49.6 Ų | 49.6 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -42.2 | -170.3 | -172.2 | -118.6 | 0 | 0 | 0 | 114.5 | D269 K270 S272 I277 A352 R353 D356 | D269-Y275 VanDerWaalsContact C-CD2 3.43Å; D269-Y275 WeakPolarHBondContact O-CB 3.42Å; D269-Y275 WeakPolarHBondContact O-CD2 3.48Å; K270-Y275 HydrophobicContact CB-CE1 4.43Å; K270-Y275 WeakPolarHBondContact CE-OH 3.4Å; K270-Y275 HydrophobicContact CG-CE1 3.84Å; K270-Y275 HydrophobicContact CG-CE2 3.87Å; K270-Y275 VanDerWaalsContact CG-CZ 3.43Å; K270-Y275 WeakPolarHBondContact CG-OH 3.32Å; S272-Y275 VanDerWaalsContact O-CB 3.25Å; S272-Y275 WeakPolarHBondContact O-CB 3.25Å; S272-Y275 PolarHBondContact O-N 2.85Å; S272-Y275 VanDerWaalsContact O-N 3.07Å; Y275-I277 VanDerWaalsContact C-N 3.35Å; Y275-A352 HydrophobicContact CD2-CB 3.76Å; Y275-A352 HydrophobicContact CE2-CB 4.11Å; Y275-A352 PolarHBondContact O-N 3.24Å; Y275-R353 HydrophobicContact CD1-CB 3.79Å; Y275-R353 HydrophobicContact CD1-CG 4.34Å; Y275-R353 HydrophobicContact CE1-CB 3.45Å; Y275-R353 VanDerWaalsContact CE1-CB 3.45Å; Y275-R353 HydrophobicContact CE1-CG 3.69Å; Y275-R353 HydrophobicContact CE2-CB 4.38Å; Y275-R353 HydrophobicContact CG-CB 4.4Å; Y275-R353 VanDerWaalsContact CZ-CA 3.43Å; Y275-R353 PolarHBondContact O-N 3.48Å; Y275-D356 VanDerWaalsContact CE2-OD2 3.22Å; Y275-D356 WeakPolarHBondContact CE2-OD2 3.33Å; Y275-D356 WeakPolarHBondContact OH-CB 3.34Å; Y275-D356 PolarHBondContact OH-OD2 3.45Å |
| 276 | D | 91.6 | Very high | 89.9 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.2 | -177.5 | -63.1 | -58.1 | 0 | 0 | 0 | 113.6 | L274 R353 | L274-D276 PolarHBondContact O-N 3.46Å; D276-R353 WeakPolarHBondContact OD1-CD 3.31Å; D276-R353 IonicContact OD1-NH1 3.33Å; D276-R353 PolarHBondContact OD1-NH1 3.44Å |
| 277 | I | 91.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | trans | -86.8 | 121.5 | -172.3 | -57.3 | 178 | 0 | 0 | 0 | 110.6 | L274 Y275 D281 L282 Q285 L287 S351 | L274-I277 HydrophobicContact CB-CD1 4.48Å; L274-I277 HydrophobicContact CD2-CD1 3.69Å; L274-I277 PolarHBondContact O-N 3.49Å; Y275-I277 VanDerWaalsContact C-N 3.35Å; I277-D281 HydrophobicContact CG2-CB 4.34Å; I277-L282 HydrophobicContact CG2-CB 3.85Å; I277-L282 HydrophobicContact CG2-CD1 4.22Å; I277-Q285 VanDerWaalsContact CD1-OE1 3.25Å; I277-L287 HydrophobicContact CD1-CD1 4Å; I277-S351 WeakPolarHBondContact O-CA 3.39Å | ||
| 278 | S | 92.6 | Very high | 89.8 | Confident | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | trans | -86.6 | 169.2 | 171.2 | 79.9 | 0 | 0 | 0 | 0 | 112.5 | A280 D281 L282 | S278-A280 PolarHBondContact O-N 3.45Å; S278-A280 PolarHBondContact OG-N 3.22Å; S278-D281 WeakPolarHBondContact CB-OD2 3.38Å; S278-D281 PolarHBondContact N-OD2 2.96Å; S278-D281 PolarHBondContact O-N 3.37Å; S278-D281 PolarHBondContact OG-N 3.44Å; S278-D281 PolarHBondContact OG-OD2 3.15Å; S278-L282 WeakPolarHBondContact O-CB 3.37Å; S278-L282 PolarHBondContact O-N 3.16Å | ||
| 279 | A | 90.6 | Very high | 89.9 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -31.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | W317 R349 | A279-W317 HydrophobicContact CB-CB 4.29Å; A279-W317 HydrophobicContact CB-CD2 3.53Å; A279-W317 HydrophobicContact CB-CE3 4.02Å; A279-W317 HydrophobicContact CB-CG 3.63Å; A279-W317 HydrophobicContact CB-CZ2 4.24Å; A279-R349 HydrophobicContact CB-CB 4.04Å; A279-R349 HydrophobicContact CB-CG 4.33Å; A279-R349 WeakPolarHBondContact CB-O 3.49Å; A279-R349 PolarHBondContact N-O 2.98Å; A279-R349 VanDerWaalsContact N-O 3.15Å |
| 280 | A | 89.8 | Confident | 90.1 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.4 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | S278 L282 A283 | S278-A280 PolarHBondContact O-N 3.45Å; S278-A280 PolarHBondContact OG-N 3.22Å; A280-L282 VanDerWaalsContact C-N 3.35Å; A280-L282 PolarHBondContact O-N 2.98Å; A280-A283 PolarHBondContact O-N 2.99Å |
| 281 | D | 90.1 | Very high | 90.4 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.9 | -36.9 | -179 | -58.3 | -37.8 | 0 | 0 | 0 | 111.7 | I277 S278 A283 L284 Q285 | I277-D281 HydrophobicContact CG2-CB 4.34Å; S278-D281 WeakPolarHBondContact CB-OD2 3.38Å; S278-D281 PolarHBondContact N-OD2 2.96Å; S278-D281 PolarHBondContact O-N 3.37Å; S278-D281 PolarHBondContact OG-N 3.44Å; S278-D281 PolarHBondContact OG-OD2 3.15Å; D281-A283 PolarHBondContact O-N 3.43Å; D281-L284 CarbonylContact O-C 3.56Å; D281-L284 PolarHBondContact O-N 2.93Å; D281-Q285 WeakPolarHBondContact O-CB 3.3Å; D281-Q285 WeakPolarHBondContact O-CG 3.24Å; D281-Q285 PolarHBondContact O-N 3.49Å |
| 282 | L | 89.7 | Confident | 90.7 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.2 | -38.7 | 177.5 | -176.7 | 64.1 | 0 | 0 | 0 | 112.1 | I196 I277 S278 A280 L284 L287 A312 I315 W317 | I196-L282 HydrophobicContact CD1-CD2 3.95Å; I277-L282 HydrophobicContact CG2-CB 3.85Å; I277-L282 HydrophobicContact CG2-CD1 4.22Å; S278-L282 WeakPolarHBondContact O-CB 3.37Å; S278-L282 PolarHBondContact O-N 3.16Å; A280-L282 VanDerWaalsContact C-N 3.35Å; A280-L282 PolarHBondContact O-N 2.98Å; L282-L284 VanDerWaalsContact C-N 3.28Å; L282-L284 PolarHBondContact O-N 3.4Å; L282-L287 HydrophobicContact CD1-CD2 4.36Å; L282-A312 WeakPolarHBondContact O-CB 3.34Å; L282-I315 HydrophobicContact CD1-CD1 4.31Å; L282-I315 HydrophobicContact CD2-CB 4.09Å; L282-I315 HydrophobicContact CD2-CG2 3.82Å; L282-W317 HydrophobicContact CD2-CE3 3.95Å; L282-W317 HydrophobicContact CD2-CZ3 4.45Å |
| 283 | A | 85.7 | Confident | 90.9 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 50% | 0.504 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | A280 D281 | A280-A283 PolarHBondContact O-N 2.99Å; D281-A283 PolarHBondContact O-N 3.43Å |
| 284 | L | 86 | Confident | 91.1 | Very high | 125 Ų | 125 | 36.8 Ų | 36.8 | 65% | 0.654 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -26.5 | -179.5 | -65.3 | 173.3 | 0 | 0 | 0 | 112.4 | D281 L282 | D281-L284 CarbonylContact O-C 3.56Å; D281-L284 PolarHBondContact O-N 2.93Å; L282-L284 VanDerWaalsContact C-N 3.28Å; L282-L284 PolarHBondContact O-N 3.4Å |
| 285 | Q | 84.1 | Confident | 91.2 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -77.3 | 145.5 | -176.9 | -76.8 | -169.2 | 1.3 | 0 | 0 | 113.4 | I277 D281 L287 | I277-Q285 VanDerWaalsContact CD1-OE1 3.25Å; D281-Q285 WeakPolarHBondContact O-CB 3.3Å; D281-Q285 WeakPolarHBondContact O-CG 3.24Å; D281-Q285 PolarHBondContact O-N 3.49Å; Q285-L287 PolarHBondContact O-N 3.13Å |
| 286 | D | 85.8 | Confident | 91.2 | Very high | 104 Ų | 104 | 37.4 Ų | 37.4 | 56% | 0.556 | 22% | 0.22 | S | C | * | . | trans | -88.6 | 84.9 | 171.1 | -76.2 | -25.2 | 0 | 0 | 0 | 110.2 | K33 | K33-D286 VanDerWaalsContact CD-OD1 3.26Å; K33-D286 WeakPolarHBondContact CD-OD1 3.08Å; K33-D286 WeakPolarHBondContact CE-OD1 3.44Å; K33-D286 IonicContact NZ-OD1 2.75Å; K33-D286 PolarHBondContact NZ-OD1 2.85Å; K33-D286 IonicContact NZ-OD2 2.98Å; K33-D286 PolarHBondContact NZ-OD2 2.96Å | ||
| 287 | L | 89.8 | Confident | 91.1 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.5 | -179 | -176.2 | 123 | 0 | 0 | 0 | 110.4 | V226 L274 I277 L282 Q285 L289 A312 I315 | V226-L287 HydrophobicContact CG1-CD1 3.44Å; V226-L287 VanDerWaalsContact CG1-CD1 3.44Å; V226-L287 HydrophobicContact CG1-CG 3.93Å; L274-L287 HydrophobicContact CD2-CD1 3.76Å; L274-L287 HydrophobicContact CD2-CD2 4.01Å; I277-L287 HydrophobicContact CD1-CD1 4Å; L282-L287 HydrophobicContact CD1-CD2 4.36Å; Q285-L287 PolarHBondContact O-N 3.13Å; L287-L289 HydrophobicContact CD2-CD1 4.26Å; L287-L289 HydrophobicContact CD2-CD2 4.31Å; L287-L289 HydrophobicContact CD2-CG 3.88Å; L287-A312 PolarHBondContact O-N 3.39Å; L287-A312 VanDerWaalsContact O-N 3.14Å; L287-I315 HydrophobicContact CD2-CD1 4.16Å |
| 288 | E | 93.6 | Very high | 90.9 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124 | 172 | -176.2 | 172.4 | 173.6 | 0 | 0 | 109.4 | R35 F36 I37 V227 S309 Y310 I311 | R35-E288 WeakPolarHBondContact CG-OE1 3.29Å; F36-E288 WeakPolarHBondContact CB-OE2 3.29Å; F36-E288 PolarHBondContact N-OE1 3.4Å; F36-E288 PolarHBondContact N-OE2 2.94Å; I37-E288 PolarHBondContact N-OE1 3.48Å; V227-E288 HydrophobicContact CB-CB 4.45Å; V227-E288 PolarHBondContact N-O 3.26Å; V227-E288 PolarHBondContact O-N 3.31Å; E288-S309 WeakPolarHBondContact OE1-CB 3.33Å; E288-S309 PolarHBondContact OE1-OG 3.4Å; E288-Y310 WeakPolarHBondContact CA-O 3.27Å; E288-I311 HydrophobicContact CG-CG2 4.35Å |
| 289 | L | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 115.9 | 174.6 | -68.1 | 171.3 | 0 | 0 | 0 | 109.2 | F205 Q225 V226 I245 L274 L287 S309 Y310 I315 | F205-L289 HydrophobicContact CD1-CD1 4.36Å; F205-L289 HydrophobicContact CD2-CD1 3.86Å; F205-L289 HydrophobicContact CE1-CD1 3.87Å; F205-L289 HydrophobicContact CE2-CD1 3.3Å; F205-L289 HydrophobicContact CG-CD1 4.36Å; F205-L289 HydrophobicContact CZ-CB 4.42Å; F205-L289 HydrophobicContact CZ-CD1 3.32Å; F205-L289 HydrophobicContact CZ-CG 4.47Å; Q225-L289 CarbonylContact O-C 3.55Å; Q225-L289 WeakPolarHBondContact O-CA 3.41Å; V226-L289 HydrophobicContact CB-CD2 3.98Å; V226-L289 HydrophobicContact CG1-CD2 4.02Å; V226-L289 HydrophobicContact CG2-CD2 3.33Å; I245-L289 HydrophobicContact CD1-CD2 4.43Å; L274-L289 HydrophobicContact CD1-CD1 4.38Å; L287-L289 HydrophobicContact CD2-CD1 4.26Å; L287-L289 HydrophobicContact CD2-CD2 4.31Å; L287-L289 HydrophobicContact CD2-CG 3.88Å; L289-S309 CarbonylContact O-C 3.57Å; L289-S309 WeakPolarHBondContact O-CA 3.46Å; L289-Y310 PolarHBondContact N-O 3.19Å; L289-Y310 PolarHBondContact O-N 3.5Å; L289-I315 HydrophobicContact CD1-CD1 3.63Å; L289-I315 HydrophobicContact CG-CD1 4.34Å |
| 290 | I | 95.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.8 | 174.5 | -59.9 | 170 | 0 | 0 | 0 | 108.3 | F36 I37 I224 Q225 V227 V292 | F36-I290 HydrophobicContact CD1-CD1 3.5Å; F36-I290 VanDerWaalsContact CD1-CD1 3.5Å; F36-I290 HydrophobicContact CE1-CD1 3.83Å; I37-I290 HydrophobicContact CD1-CB 4.37Å; I37-I290 HydrophobicContact CD1-CD1 3.71Å; I37-I290 HydrophobicContact CD1-CG1 3.95Å; I37-I290 HydrophobicContact CD1-CG2 3.51Å; I37-I290 HydrophobicContact CG1-CD1 4.47Å; I224-I290 CarbonylContact C-O 3.52Å; I224-I290 WeakPolarHBondContact CA-O 3.26Å; Q225-I290 HydrophobicContact CB-CB 4.41Å; Q225-I290 PolarHBondContact N-O 3.06Å; Q225-I290 PolarHBondContact O-N 3.18Å; V227-I290 HydrophobicContact CB-CD1 4.48Å; V227-I290 HydrophobicContact CG2-CD1 3.3Å; V227-I290 HydrophobicContact CG2-CG1 3.99Å; I290-V292 HydrophobicContact CG2-CG2 3.92Å |
| 291 | V | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.2 | 173 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | F190 F207 V222 I224 R307 T308 Y310 | F190-V291 HydrophobicContact CD1-CG1 4.2Å; F190-V291 HydrophobicContact CE1-CG1 3.81Å; F207-V291 HydrophobicContact CD1-CG2 4.15Å; F207-V291 HydrophobicContact CD2-CG1 4.22Å; F207-V291 HydrophobicContact CD2-CG2 4.42Å; F207-V291 HydrophobicContact CE1-CG1 4.29Å; F207-V291 HydrophobicContact CE1-CG2 3.75Å; F207-V291 HydrophobicContact CE2-CB 4.3Å; F207-V291 HydrophobicContact CE2-CG1 3.35Å; F207-V291 HydrophobicContact CE2-CG2 4.07Å; F207-V291 HydrophobicContact CG-CG2 4.46Å; F207-V291 HydrophobicContact CZ-CB 4.2Å; F207-V291 HydrophobicContact CZ-CG1 3.38Å; F207-V291 HydrophobicContact CZ-CG2 3.7Å; V222-V291 HydrophobicContact CG1-CG1 4.26Å; I224-V291 HydrophobicContact CG1-CG2 4.46Å; V291-R307 VanDerWaalsContact O-CA 3.31Å; V291-R307 WeakPolarHBondContact O-CA 3.22Å; V291-T308 HydrophobicContact CB-CG2 4.1Å; V291-T308 PolarHBondContact N-O 2.96Å; V291-T308 PolarHBondContact O-N 2.97Å; V291-Y310 HydrophobicContact CG2-CD2 4.09Å; V291-Y310 HydrophobicContact CG2-CE2 3.85Å |
| 292 | V | 95.2 | Very high | 90.4 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.9 | 178.6 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | V222 R223 I290 E294 Q305 R307 | V222-V292 CarbonylContact C-O 3.59Å; V222-V292 WeakPolarHBondContact CA-O 3.26Å; R223-V292 HydrophobicContact CB-CB 4.39Å; R223-V292 PolarHBondContact N-O 3.15Å; R223-V292 PolarHBondContact O-N 2.77Å; I290-V292 HydrophobicContact CG2-CG2 3.92Å; V292-E294 HydrophobicContact CG1-CG 4.05Å; V292-Q305 HydrophobicContact CG1-CG 3.44Å; V292-Q305 VanDerWaalsContact CG1-CG 3.44Å; V292-Q305 VanDerWaalsContact CG1-NE2 3.3Å; V292-R307 HydrophobicContact CB-CG 4.44Å; V292-R307 HydrophobicContact CG1-CG 4.06Å; V292-R307 HydrophobicContact CG2-CG 4.12Å |
| 293 | L | 94.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.8 | 169.7 | 173.4 | 69.6 | 0 | 0 | 0 | 107.9 | L188 F190 V209 A220 S221 V222 I256 L258 Q305 A306 | L188-L293 HydrophobicContact CB-CD2 4.38Å; L188-L293 HydrophobicContact CD1-CD2 3.81Å; L188-L293 HydrophobicContact CD2-CD2 3.96Å; L188-L293 HydrophobicContact CG-CD2 4.26Å; F190-L293 HydrophobicContact CE1-CB 4.22Å; F190-L293 HydrophobicContact CZ-CB 3.97Å; V209-L293 HydrophobicContact CG1-CD2 3.89Å; A220-L293 HydrophobicContact CB-CD1 4.26Å; S221-L293 WeakPolarHBondContact O-CA 3.3Å; V222-L293 HydrophobicContact CG2-CD1 3.6Å; I256-L293 HydrophobicContact CD1-CD1 3.93Å; I256-L293 HydrophobicContact CG1-CD1 4.5Å; L258-L293 HydrophobicContact CD2-CD2 4.02Å; L293-Q305 CarbonylContact O-C 3.48Å; L293-Q305 WeakPolarHBondContact O-CA 3.35Å; L293-A306 PolarHBondContact N-O 2.87Å; L293-A306 PolarHBondContact O-N 3.48Å |
| 294 | E | 93.6 | Very high | 90.7 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 147.1 | 175.8 | -72.3 | 172.5 | -179 | 0 | 0 | 109.5 | A220 S221 R223 V292 T304 Q305 | A220-E294 CarbonylContact C-O 3.54Å; A220-E294 VanDerWaalsContact CA-O 3.28Å; A220-E294 WeakPolarHBondContact CA-O 3.44Å; S221-E294 PolarHBondContact N-O 2.95Å; S221-E294 PolarHBondContact O-N 3.04Å; R223-E294 IonicContact CZ-OE2 3.56Å; R223-E294 IonicContact NE-OE2 3.62Å; R223-E294 IonicContact NH2-OE2 2.75Å; V292-E294 HydrophobicContact CG1-CG 4.05Å; E294-T304 WeakPolarHBondContact CA-O 3.36Å; E294-Q305 HydrophobicContact CG-CB 4.26Å; E294-Q305 HydrophobicContact CG-CG 3.79Å; E294-Q305 PolarHBondContact OE1-NE2 2.88Å |
| 295 | G | 92.8 | Very high | 91 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | 172.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T303 T304 | G295-T303 CarbonylContact O-C 3.54Å; G295-T303 WeakPolarHBondContact O-CA 3.37Å; G295-T304 PolarHBondContact N-O 3.47Å; G295-T304 PolarHBondContact O-N 2.9Å |
| 296 | V | 92.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 38 Ų | 38 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.7 | -179.4 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | I217 I218 E298 G301 T303 | I217-V296 CarbonylContact C-O 3.57Å; I217-V296 WeakPolarHBondContact CA-O 3.36Å; I218-V296 HydrophobicContact CB-CB 4.32Å; I218-V296 PolarHBondContact N-O 3.38Å; I218-V296 PolarHBondContact O-N 2.99Å; V296-E298 PolarHBondContact O-N 3.48Å; V296-G301 VanDerWaalsContact CG1-C 3.49Å; V296-G301 WeakPolarHBondContact CG1-O 3.43Å; V296-T303 HydrophobicContact CG2-CG2 3.76Å |
| 297 | V | 90.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.9 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | A181 R184 I217 T299 T300 G301 I302 T304 | A181-V297 HydrophobicContact CB-CG2 4.27Å; R184-V297 HydrophobicContact CB-CG2 4.04Å; R184-V297 HydrophobicContact CG-CG1 4.22Å; R184-V297 HydrophobicContact CG-CG2 4.1Å; I217-V297 HydrophobicContact CD1-CG2 4.07Å; V297-T299 VanDerWaalsContact C-N 3.28Å; V297-T299 PolarHBondContact O-N 3.24Å; V297-T299 VanDerWaalsContact O-N 3.15Å; V297-T300 WeakPolarHBondContact CB-OG1 3.01Å; V297-T300 PolarHBondContact O-N 2.93Å; V297-T300 VanDerWaalsContact O-N 3.17Å; V297-G301 PolarHBondContact O-N 3.43Å; V297-I302 PolarHBondContact N-O 2.95Å; V297-T304 HydrophobicContact CG2-CG2 3.65Å |
| 298 | E | 88.2 | Confident | 92.2 | Very high | 90 Ų | 90 | 37.1 Ų | 37.1 | 42% | 0.421 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -43.1 | -176.2 | 176.2 | 179 | -147.4 | 0 | 0 | 113.9 | M216 I218 V296 | M216-E298 WeakPolarHBondContact CE-OE1 3.34Å; M216-E298 PolarHBondContact N-OE2 3.35Å; M216-E298 VanDerWaalsContact O-CB 3.23Å; M216-E298 WeakPolarHBondContact O-CB 3.21Å; M216-E298 PolarHBondContact O-N 3.49Å; I218-E298 HydrophobicContact CD1-CB 4.04Å; I218-E298 HydrophobicContact CD1-CG 4.25Å; I218-E298 HydrophobicContact CG1-CB 4.24Å; V296-E298 PolarHBondContact O-N 3.48Å |
| 299 | T | 86.5 | Confident | 92.2 | Very high | 88 Ų | 88 | 36.3 Ų | 36.3 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -26.5 | -174.5 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | R184 V297 | R184-T299 PolarHBondContact NH2-OG1 3.44Å; V297-T299 VanDerWaalsContact C-N 3.28Å; V297-T299 PolarHBondContact O-N 3.24Å; V297-T299 VanDerWaalsContact O-N 3.15Å |
| 300 | T | 86.4 | Confident | 92.3 | Very high | 66 Ų | 66 | 36.3 Ų | 36.3 | 41% | 0.405 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -16.9 | -171.7 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | V297 I302 | V297-T300 WeakPolarHBondContact CB-OG1 3.01Å; V297-T300 PolarHBondContact O-N 2.93Å; V297-T300 VanDerWaalsContact O-N 3.17Å; T300-I302 PolarHBondContact O-N 3.42Å |
| 301 | G | 88.6 | Confident | 92.2 | Very high | 54 Ų | 54 | 38.3 Ų | 38.3 | 56% | 0.557 | 22% | 0.218 | S | C | * | . | trans | 67.9 | -0.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V296 V297 | V296-G301 VanDerWaalsContact CG1-C 3.49Å; V296-G301 WeakPolarHBondContact CG1-O 3.43Å; V297-G301 PolarHBondContact O-N 3.43Å | ||
| 302 | I | 89.4 | Confident | 92 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 30% | 0.303 | 22% | 0.222 | S | C | . | . | trans | -82.6 | 136 | 178.8 | -64 | 167.1 | 0 | 0 | 0 | 109.6 | A179 A181 V297 T300 | A179-I302 HydrophobicContact CB-CD1 4.05Å; A179-I302 WeakPolarHBondContact O-CD1 3.46Å; A181-I302 HydrophobicContact CB-CG2 4.18Å; V297-I302 PolarHBondContact N-O 2.95Å; T300-I302 PolarHBondContact O-N 3.42Å | ||
| 303 | T | 91.5 | Very high | 91.8 | Very high | 109 Ų | 109 | 44.9 Ų | 44.9 | 67% | 0.669 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135.6 | 172.3 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | G295 V296 | G295-T303 CarbonylContact O-C 3.54Å; G295-T303 WeakPolarHBondContact O-CA 3.37Å; V296-T303 HydrophobicContact CG2-CG2 3.76Å |
| 304 | T | 91.1 | Very high | 91.7 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.08 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.4 | 176.2 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | L188 E294 G295 V297 | L188-T304 HydrophobicContact CD1-CG2 4.43Å; E294-T304 WeakPolarHBondContact CA-O 3.36Å; G295-T304 PolarHBondContact N-O 3.47Å; G295-T304 PolarHBondContact O-N 2.9Å; V297-T304 HydrophobicContact CG2-CG2 3.65Å |
| 305 | Q | 92.2 | Very high | 91.8 | Very high | 72 Ų | 72 | 44.1 Ų | 44.1 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.3 | 178.1 | -171.1 | -173.5 | 69.9 | 0 | 0 | 109 | V292 L293 E294 R307 | V292-Q305 HydrophobicContact CG1-CG 3.44Å; V292-Q305 VanDerWaalsContact CG1-CG 3.44Å; V292-Q305 VanDerWaalsContact CG1-NE2 3.3Å; L293-Q305 CarbonylContact O-C 3.48Å; L293-Q305 WeakPolarHBondContact O-CA 3.35Å; E294-Q305 HydrophobicContact CG-CB 4.26Å; E294-Q305 HydrophobicContact CG-CG 3.79Å; E294-Q305 PolarHBondContact OE1-NE2 2.88Å; Q305-R307 HydrophobicContact CG-CG 4.08Å |
| 306 | A | 93.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A185 L188 F190 L293 | A185-A306 HydrophobicContact CB-CB 4.31Å; L188-A306 HydrophobicContact CB-CB 3.83Å; L188-A306 HydrophobicContact CD1-CB 3.83Å; L188-A306 HydrophobicContact CG-CB 4.48Å; F190-A306 HydrophobicContact CE2-CB 3.85Å; F190-A306 HydrophobicContact CZ-CB 3.93Å; L293-A306 PolarHBondContact N-O 2.87Å; L293-A306 PolarHBondContact O-N 3.48Å |
| 307 | R | 94.8 | Very high | 92 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.7 | -175.1 | -62.2 | 178.3 | -67 | -137.7 | 3 | 110.7 | G41 V291 V292 Q305 | G41-R307 WeakPolarHBondContact CA-O 3.43Å; G41-R307 PolarHBondContact N-O 3.41Å; V291-R307 VanDerWaalsContact O-CA 3.31Å; V291-R307 WeakPolarHBondContact O-CA 3.22Å; V292-R307 HydrophobicContact CB-CG 4.44Å; V292-R307 HydrophobicContact CG1-CG 4.06Å; V292-R307 HydrophobicContact CG2-CG 4.12Å; Q305-R307 HydrophobicContact CG-CG 4.08Å |
| 308 | T | 95.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 168.3 | 166.7 | -159.7 | 0 | 0 | 0 | 0 | 109.6 | K39 F190 V291 Y310 | K39-T308 PolarHBondContact O-OG1 3.08Å; F190-T308 HydrophobicContact CB-CG2 3.61Å; F190-T308 HydrophobicContact CD1-CG2 3.72Å; F190-T308 HydrophobicContact CD2-CG2 3.78Å; F190-T308 HydrophobicContact CE1-CG2 4.33Å; F190-T308 HydrophobicContact CE2-CG2 4.36Å; F190-T308 HydrophobicContact CG-CG2 3.42Å; F190-T308 VanDerWaalsContact CG-CG2 3.42Å; V291-T308 HydrophobicContact CB-CG2 4.1Å; V291-T308 PolarHBondContact N-O 2.96Å; V291-T308 PolarHBondContact O-N 2.97Å; T308-Y310 HydrophobicContact CG2-CE2 3.79Å |
| 309 | S | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153 | 171.7 | 82.4 | 0 | 0 | 0 | 0 | 112.9 | R35 I37 K39 E288 L289 | R35-S309 WeakPolarHBondContact CD-OG 3.43Å; R35-S309 PolarHBondContact NH1-O 3.15Å; R35-S309 PolarHBondContact NH1-OG 3.1Å; I37-S309 PolarHBondContact O-OG 2.91Å; K39-S309 WeakPolarHBondContact CD-O 3.23Å; K39-S309 WeakPolarHBondContact CE-O 3.42Å; K39-S309 PolarHBondContact NZ-O 3.3Å; E288-S309 WeakPolarHBondContact OE1-CB 3.33Å; E288-S309 PolarHBondContact OE1-OG 3.4Å; L289-S309 CarbonylContact O-C 3.57Å; L289-S309 WeakPolarHBondContact O-CA 3.46Å |
| 310 | Y | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 112.2 | 174.2 | -60 | -84.9 | 0 | 0 | 0 | 108.9 | S191 A194 F205 F207 E288 L289 V291 T308 E314 | S191-Y310 WeakPolarHBondContact O-CE1 3.24Å; S191-Y310 VanDerWaalsContact O-CZ 3.31Å; S191-Y310 PolarHBondContact O-OH 3.14Å; S191-Y310 PolarHBondContact OG-OH 3.47Å; A194-Y310 HydrophobicContact CB-CD1 3.66Å; A194-Y310 HydrophobicContact CB-CD2 4.33Å; A194-Y310 HydrophobicContact CB-CE1 3.94Å; A194-Y310 HydrophobicContact CB-CG 3.88Å; F205-Y310 HydrophobicContact CZ-CD2 4.43Å; F207-Y310 HydrophobicContact CB-CE2 4.04Å; F207-Y310 HydrophobicContact CG-CE2 4.2Å; E288-Y310 WeakPolarHBondContact CA-O 3.27Å; L289-Y310 PolarHBondContact N-O 3.19Å; L289-Y310 PolarHBondContact O-N 3.5Å; V291-Y310 HydrophobicContact CG2-CD2 4.09Å; V291-Y310 HydrophobicContact CG2-CE2 3.85Å; T308-Y310 HydrophobicContact CG2-CE2 3.79Å; Y310-E314 HydrophobicContact CD1-CB 4.47Å |
| 311 | I | 93.3 | Very high | 93.4 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 23% | 0.226 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 159.6 | 168 | 60.2 | 171.5 | 0 | 0 | 0 | 109.5 | R35 E288 E313 E314 | R35-I311 HydrophobicContact CG-CG2 4.06Å; E288-I311 HydrophobicContact CG-CG2 4.35Å; I311-E313 HydrophobicContact CD1-CB 4.3Å; I311-E313 HydrophobicContact CG1-CB 4.47Å; I311-E313 PolarHBondContact O-N 3.44Å; I311-E313 VanDerWaalsContact O-N 3.08Å; I311-E314 HydrophobicContact CD1-CG 4.25Å; I311-E314 HydrophobicContact CG1-CB 4.18Å; I311-E314 HydrophobicContact CG1-CG 3.61Å; I311-E314 PolarHBondContact N-OE2 3.02Å; I311-E314 WeakPolarHBondContact O-CA 3.15Å; I311-E314 WeakPolarHBondContact O-CB 3.43Å; I311-E314 PolarHBondContact O-N 2.9Å |
| 312 | A | 91.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -40.1 | -47.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L282 L287 E314 I315 | L282-A312 WeakPolarHBondContact O-CB 3.34Å; L287-A312 PolarHBondContact O-N 3.39Å; L287-A312 VanDerWaalsContact O-N 3.14Å; A312-E314 PolarHBondContact O-N 3.26Å; A312-I315 PolarHBondContact O-N 3.49Å |
| 313 | E | 90.4 | Very high | 93.9 | Very high | 136 Ų | 136 | 44.7 Ų | 44.7 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -67.5 | -18.9 | -178.8 | -60.4 | -177.4 | 172.6 | 0 | 0 | 114.2 | I311 | I311-E313 HydrophobicContact CD1-CB 4.3Å; I311-E313 HydrophobicContact CG1-CB 4.47Å; I311-E313 PolarHBondContact O-N 3.44Å; I311-E313 VanDerWaalsContact O-N 3.08Å |
| 314 | E | 93.6 | Very high | 93.9 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -93.8 | -1.8 | 179.5 | -64.7 | 174.3 | 153.1 | 0 | 0 | 112.7 | R35 K39 Q193 A194 Y310 I311 A312 | R35-E314 IonicContact CZ-OE1 2.72Å; R35-E314 IonicContact CZ-OE2 3.64Å; R35-E314 IonicContact NH1-OE1 3.34Å; R35-E314 IonicContact NH1-OE2 3.35Å; R35-E314 PolarHBondContact NH1-OE2 2.74Å; R35-E314 VanDerWaalsContact NH1-OE2 3.16Å; R35-E314 VanDerWaalsContact NH2-CD 3.26Å; R35-E314 IonicContact NH2-OE1 3.5Å; R35-E314 PolarHBondContact NH2-OE1 3Å; R35-E314 IonicContact NH2-OE2 2.93Å; R35-E314 PolarHBondContact NH2-OE2 3.15Å; K39-E314 WeakPolarHBondContact CE-OE1 3.35Å; K39-E314 WeakPolarHBondContact CE-OE2 3.35Å; K39-E314 IonicContact NZ-OE1 3.77Å; K39-E314 IonicContact NZ-OE2 3.96Å; K39-E314 PolarHBondContact NZ-OE2 3.43Å; Q193-E314 VanDerWaalsContact CA-O 3.3Å; Q193-E314 WeakPolarHBondContact CA-O 3.33Å; Q193-E314 WeakPolarHBondContact CB-O 3.4Å; A194-E314 PolarHBondContact N-O 2.94Å; Y310-E314 HydrophobicContact CD1-CB 4.47Å; I311-E314 HydrophobicContact CD1-CG 4.25Å; I311-E314 HydrophobicContact CG1-CB 4.18Å; I311-E314 HydrophobicContact CG1-CG 3.61Å; I311-E314 PolarHBondContact N-OE2 3.02Å; I311-E314 WeakPolarHBondContact O-CA 3.15Å; I311-E314 WeakPolarHBondContact O-CB 3.43Å; I311-E314 PolarHBondContact O-N 2.9Å; A312-E314 PolarHBondContact O-N 3.26Å |
| 315 | I | 94.8 | Very high | 94 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 111.4 | 177.5 | -54.9 | 170 | 0 | 0 | 0 | 108.2 | A194 I196 F205 L282 L287 L289 A312 | A194-I315 HydrophobicContact CB-CG1 4.35Å; I196-I315 HydrophobicContact CD1-CG2 3.6Å; I196-I315 HydrophobicContact CG1-CG2 3.77Å; F205-I315 HydrophobicContact CD2-CG2 4.32Å; F205-I315 HydrophobicContact CE2-CD1 4.28Å; F205-I315 HydrophobicContact CE2-CG1 4.23Å; F205-I315 HydrophobicContact CE2-CG2 4.12Å; L282-I315 HydrophobicContact CD1-CD1 4.31Å; L282-I315 HydrophobicContact CD2-CB 4.09Å; L282-I315 HydrophobicContact CD2-CG2 3.82Å; L287-I315 HydrophobicContact CD2-CD1 4.16Å; L289-I315 HydrophobicContact CD1-CD1 3.63Å; L289-I315 HydrophobicContact CG-CD1 4.34Å; A312-I315 PolarHBondContact O-N 3.49Å |
| 316 | L | 95 | Very high | 94 | Very high | 35 Ų | 35 | 42 Ų | 42 | 18% | 0.183 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 114.6 | -177.5 | -59.5 | -178.4 | 0 | 0 | 0 | 111.3 | Q193 A194 V195 I196 H319 | Q193-L316 HydrophobicContact CB-CD1 4.19Å; Q193-L316 HydrophobicContact CB-CG 4.32Å; Q193-L316 HydrophobicContact CG-CD1 4.38Å; Q193-L316 VanDerWaalsContact OE1-CD1 3.28Å; A194-L316 PolarHBondContact O-N 3.33Å; V195-L316 CarbonylContact C-O 3.59Å; V195-L316 VanDerWaalsContact CA-O 3.29Å; V195-L316 WeakPolarHBondContact CA-O 3.37Å; V195-L316 HydrophobicContact CG1-CB 4.32Å; I196-L316 PolarHBondContact N-O 2.85Å; L316-H319 HydrophobicContact CB-CB 3.88Å |
| 317 | W | 94.8 | Very high | 93.9 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 17% | 0.167 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 134.5 | 175.3 | -162.5 | -75.3 | 0 | 0 | 0 | 112.4 | I196 L203 A279 L282 H319 P348 C350 | I196-W317 HydrophobicContact CB-CD2 4.32Å; I196-W317 HydrophobicContact CB-CE3 4.12Å; I196-W317 HydrophobicContact CD1-CE3 3.76Å; I196-W317 HydrophobicContact CD1-CZ3 3.86Å; I196-W317 HydrophobicContact CG2-CD2 4.09Å; I196-W317 HydrophobicContact CG2-CE3 3.95Å; I196-W317 HydrophobicContact CG2-CH2 4.28Å; I196-W317 HydrophobicContact CG2-CZ2 4.36Å; I196-W317 HydrophobicContact CG2-CZ3 4.06Å; L203-W317 HydrophobicContact CD1-CZ2 4.11Å; L203-W317 HydrophobicContact CD2-CH2 3.48Å; L203-W317 VanDerWaalsContact CD2-CH2 3.48Å; L203-W317 HydrophobicContact CD2-CZ2 3.64Å; L203-W317 HydrophobicContact CD2-CZ3 4.38Å; L203-W317 HydrophobicContact CG-CZ2 4.5Å; A279-W317 HydrophobicContact CB-CB 4.29Å; A279-W317 HydrophobicContact CB-CD2 3.53Å; A279-W317 HydrophobicContact CB-CE3 4.02Å; A279-W317 HydrophobicContact CB-CG 3.63Å; A279-W317 HydrophobicContact CB-CZ2 4.24Å; L282-W317 HydrophobicContact CD2-CE3 3.95Å; L282-W317 HydrophobicContact CD2-CZ3 4.45Å; W317-H319 PolarHBondContact O-CD2 3.47Å; W317-P348 PolarHBondContact NE1-O 2.83Å; W317-C350 VanDerWaalsContact CZ2-O 3.27Å; W317-C350 WeakPolarHBondContact CZ2-O 3.26Å |
| 318 | G | 93.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 35.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | I196 K344 V345 | I196-G318 WeakPolarHBondContact O-CA 3.36Å; I196-G318 PolarHBondContact O-N 2.99Å; G318-K344 WeakPolarHBondContact O-CA 3.35Å; G318-V345 CarbonylContact C-O 3.33Å; G318-V345 PolarHBondContact O-N 3.32Å |
| 319 | H | 95 | Very high | 93.4 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 13% | 0.13 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.4 | 176.3 | -83.4 | -119.6 | 0 | 0 | 0 | 110.7 | V195 A197 L316 W317 T342 V343 K344 | V195-H319 HydrophobicContact CB-CB 4.02Å; V195-H319 WeakPolarHBondContact CB-O 3.26Å; V195-H319 HydrophobicContact CG1-CB 3.74Å; V195-H319 WeakPolarHBondContact CG2-O 3.43Å; A197-H319 WeakPolarHBondContact CB-O 3.28Å; L316-H319 HydrophobicContact CB-CB 3.88Å; W317-H319 PolarHBondContact O-CD2 3.47Å; H319-T342 PolarHBondContact ND1-OG1 2.88Å; H319-V343 CarbonylContact C-O 3.6Å; H319-V343 VanDerWaalsContact CA-O 3.31Å; H319-V343 WeakPolarHBondContact CA-O 3.48Å; H319-K344 WeakPolarHBondContact NE2-CE 3.47Å; H319-K344 WeakPolarHBondContact NE2-CG 3.45Å |
| 320 | R | 94.6 | Very high | 93.1 | Very high | 147 Ų | 147 | 62.6 Ų | 62.6 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.7 | 173.3 | -172.7 | 172.9 | 67 | -175 | 1.1 | 109.5 | T342 V343 V345 | R320-T342 CarbonylContact O-C 3.56Å; R320-T342 VanDerWaalsContact O-CA 3.26Å; R320-T342 WeakPolarHBondContact O-CA 3.34Å; R320-V343 HydrophobicContact CB-CG2 4.37Å; R320-V343 PolarHBondContact N-O 3.33Å; R320-V343 WeakPolarHBondContact O-CG2 3.37Å; R320-V343 PolarHBondContact O-N 3.28Å; R320-V345 HydrophobicContact CB-CG2 3.66Å |
| 321 | F | 96.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 67.4 Ų | 67.4 | 4% | 0.039 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 142 | 174.3 | -70.7 | -72.6 | 0 | 0 | 0 | 111.8 | S191 V195 M206 R208 I263 T342 | S191-F321 WeakPolarHBondContact OG-CZ 3.38Å; V195-F321 HydrophobicContact CG1-CE1 4.46Å; V195-F321 HydrophobicContact CG1-CE2 4.27Å; V195-F321 HydrophobicContact CG1-CZ 4.13Å; V195-F321 HydrophobicContact CG2-CD2 3.82Å; V195-F321 HydrophobicContact CG2-CE2 3.59Å; V195-F321 HydrophobicContact CG2-CZ 4.27Å; M206-F321 HydrophobicContact CB-CE2 4.39Å; R208-F321 HydrophobicContact CB-CE1 4.4Å; R208-F321 HydrophobicContact CB-CE2 4.41Å; R208-F321 HydrophobicContact CB-CZ 4.3Å; I263-F321 HydrophobicContact CD1-CB 3.89Å; I263-F321 HydrophobicContact CD1-CD2 4.12Å; I263-F321 HydrophobicContact CD1-CG 4.39Å; I263-F321 HydrophobicContact CG1-CD2 4.2Å; I263-F321 HydrophobicContact CG2-CD2 4.17Å; F321-T342 HydrophobicContact CD1-CG2 3.74Å; F321-T342 HydrophobicContact CE1-CG2 3.83Å; F321-T342 HydrophobicContact CG-CG2 4.5Å |
| 322 | V | 94.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 73.5 Ų | 73.5 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 137.9 | 172.5 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | R208 I324 K338 N341 V343 | R208-V322 PolarHBondContact NH1-O 3.45Å; R208-V322 PolarHBondContact NH2-O 3.22Å; V322-I324 WeakPolarHBondContact O-CG2 3.39Å; V322-K338 HydrophobicContact CG1-CD 4.44Å; V322-N341 HydrophobicContact CB-CB 4.29Å; V322-N341 HydrophobicContact CG2-CB 4.03Å; V322-N341 PolarHBondContact N-O 3.45Å; V322-V343 HydrophobicContact CG2-CG1 3.67Å |
| 323 | P | 93.2 | Very high | 92.7 | Very high | 112 Ų | 112 | 74.4 Ų | 74.4 | 73% | 0.727 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 137.5 | 172.8 | 26.6 | -34.6 | 0 | 0 | 0 | 110.5 | ||
| 324 | I | 93.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | trans | -122 | -10.9 | -174.8 | 66.1 | 171.3 | 0 | 0 | 0 | 114 | R208 P261 V322 V334 D335 K338 F339 | R208-I324 VanDerWaalsContact NH1-CG2 3.32Å; P261-I324 HydrophobicContact CB-CD1 3.75Å; P261-I324 HydrophobicContact CG-CD1 3.79Å; V322-I324 WeakPolarHBondContact O-CG2 3.39Å; I324-V334 HydrophobicContact CD1-CG1 3.81Å; I324-V334 HydrophobicContact CG1-CG1 4.15Å; I324-D335 PolarHBondContact O-N 3.34Å; I324-K338 HydrophobicContact CG2-CB 3.77Å; I324-F339 HydrophobicContact CD1-CD2 4.18Å | ||
| 325 | V | 92.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 70.8 Ų | 70.8 | 38% | 0.382 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124 | 179.2 | -173.1 | 0 | 0 | 0 | 0 | 107.4 | Y332 A333 V334 | V325-Y332 HydrophobicContact CG1-CD1 3.89Å; V325-Y332 HydrophobicContact CG1-CG 4.47Å; V325-A333 WeakPolarHBondContact CA-O 3.29Å; V325-V334 HydrophobicContact CG2-CG2 4.27Å |
| 326 | T | 91.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.6 | 172.5 | 49.4 | 0 | 0 | 0 | 0 | 109 | E328 A333 | T326-E328 PolarHBondContact OG1-OE1 2.74Å; T326-A333 PolarHBondContact N-O 2.88Å; T326-A333 PolarHBondContact O-N 3.42Å |
| 327 | E | 92.6 | Very high | 92.5 | Very high | 140 Ų | 140 | 75.8 Ų | 75.8 | 65% | 0.654 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.9 | 172.2 | -173.7 | -177.7 | 172.2 | 0 | 0 | 107.7 | ||
| 328 | E | 90.8 | Very high | 92.4 | Very high | 118 Ų | 118 | 77.9 Ų | 77.9 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.3 | -180 | -69.9 | 176.6 | -160.4 | 0 | 0 | 108.2 | T326 G330 V331 | T326-E328 PolarHBondContact OG1-OE1 2.74Å; E328-G330 VanDerWaalsContact C-N 3.26Å; E328-G330 PolarHBondContact O-N 2.86Å; E328-G330 VanDerWaalsContact O-N 3.15Å; E328-V331 PolarHBondContact N-O 3.41Å; E328-V331 PolarHBondContact O-N 3.44Å |
| 329 | E | 88.1 | Confident | 92.3 | Very high | 206 Ų | 206 | 78.3 Ų | 78.3 | 96% | 0.963 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 36.7 | 175.8 | -57.6 | -176.9 | 172.8 | 0 | 0 | 114.7 | V331 | E329-V331 VanDerWaalsContact C-N 3.28Å; E329-V331 PolarHBondContact O-N 2.96Å |
| 330 | G | 89.3 | Confident | 92.2 | Very high | 67 Ų | 67 | 78.4 Ų | 78.4 | 69% | 0.691 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 10 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | E328 | E328-G330 VanDerWaalsContact C-N 3.26Å; E328-G330 PolarHBondContact O-N 2.86Å; E328-G330 VanDerWaalsContact O-N 3.15Å |
| 331 | V | 90.4 | Very high | 92.2 | Very high | 100 Ų | 100 | 75.4 Ų | 75.4 | 61% | 0.606 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.8 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | E328 E329 A333 | E328-V331 PolarHBondContact N-O 3.41Å; E328-V331 PolarHBondContact O-N 3.44Å; E329-V331 VanDerWaalsContact C-N 3.28Å; E329-V331 PolarHBondContact O-N 2.96Å; V331-A333 PolarHBondContact O-N 2.95Å |
| 332 | Y | 91.1 | Very high | 92.2 | Very high | 172 Ų | 172 | 76.6 Ų | 76.6 | 68% | 0.675 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 112.2 | 170.4 | -68.9 | -74.5 | 0 | 0 | 0 | 110.2 | V325 | V325-Y332 HydrophobicContact CG1-CD1 3.89Å; V325-Y332 HydrophobicContact CG1-CG 4.47Å |
| 333 | A | 90.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 78.1 Ų | 78.1 | 26% | 0.256 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 138.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V325 T326 V331 | V325-A333 WeakPolarHBondContact CA-O 3.29Å; T326-A333 PolarHBondContact N-O 2.88Å; T326-A333 PolarHBondContact O-N 3.42Å; V331-A333 PolarHBondContact O-N 2.95Å |
| 334 | V | 92.1 | Very high | 92.2 | Very high | 44 Ų | 44 | 81 Ų | 81 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.7 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | P261 I324 V325 Y336 | P261-V334 HydrophobicContact CG-CG1 3.83Å; I324-V334 HydrophobicContact CD1-CG1 3.81Å; I324-V334 HydrophobicContact CG1-CG1 4.15Å; V325-V334 HydrophobicContact CG2-CG2 4.27Å; V334-Y336 HydrophobicContact CB-CE2 4.22Å; V334-Y336 HydrophobicContact CG1-CD2 4.25Å; V334-Y336 HydrophobicContact CG1-CE1 4.48Å; V334-Y336 HydrophobicContact CG1-CE2 3.94Å; V334-Y336 PolarHBondContact O-N 3.04Å |
| 335 | D | 92.7 | Very high | 92.1 | Very high | 47 Ų | 47 | 83.2 Ų | 83.2 | 25% | 0.251 | 45% | 0.448 | S | S | . | . | trans | -88.4 | 94.4 | 176.7 | -178.6 | 5.5 | 0 | 0 | 0 | 111.3 | I324 S337 K338 | I324-D335 PolarHBondContact O-N 3.34Å; D335-S337 PolarHBondContact O-N 3.45Å; D335-S337 WeakPolarHBondContact OD1-CB 3.42Å; D335-S337 PolarHBondContact OD1-N 2.84Å; D335-S337 PolarHBondContact OD1-OG 3.48Å; D335-K338 PolarHBondContact O-N 3.28Å; D335-K338 WeakPolarHBondContact OD2-CD 3.05Å; D335-K338 VanDerWaalsContact OD2-CE 3.26Å; D335-K338 WeakPolarHBondContact OD2-CE 3.24Å; D335-K338 IonicContact OD2-NZ 3.16Å; D335-K338 PolarHBondContact OD2-NZ 3.48Å | ||
| 336 | Y | 91.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 82.1 Ų | 82.1 | 29% | 0.294 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -65 | -17 | 177.6 | -76.7 | -79 | 0 | 0 | 0 | 114 | I189 D211 L212 P261 V334 K338 F339 | I189-Y336 HydrophobicContact CD1-CD1 3.98Å; I189-Y336 HydrophobicContact CD1-CE1 4.07Å; D211-Y336 PolarHBondContact O-OH 3.37Å; L212-Y336 HydrophobicContact CD2-CD1 4.01Å; L212-Y336 HydrophobicContact CD2-CE1 4.02Å; L212-Y336 HydrophobicContact CD2-CG 4.34Å; P261-Y336 HydrophobicContact CG-CE1 3.68Å; V334-Y336 HydrophobicContact CB-CE2 4.22Å; V334-Y336 HydrophobicContact CG1-CD2 4.25Å; V334-Y336 HydrophobicContact CG1-CE1 4.48Å; V334-Y336 HydrophobicContact CG1-CE2 3.94Å; V334-Y336 PolarHBondContact O-N 3.04Å; Y336-K338 PolarHBondContact O-N 3.06Å; Y336-F339 HydrophobicContact CD1-CB 4.46Å; Y336-F339 AromaticContact CD1-CD2 3.91Å; Y336-F339 HydrophobicContact CD1-CD2 3.91Å; Y336-F339 HydrophobicContact CD1-CG 4.45Å; Y336-F339 HydrophobicContact CE1-CD2 4.13Å; Y336-F339 HydrophobicContact CE1-CE2 4.42Å; Y336-F339 WeakPolarHBondContact O-CB 3.4Å; Y336-F339 PolarHBondContact O-N 2.82Å |
| 337 | S | 92 | Very high | 91.6 | Very high | 75 Ų | 75 | 79.8 Ų | 79.8 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -63.7 | -28.2 | 175.5 | -36.6 | 0 | 0 | 0 | 0 | 111.5 | D335 | D335-S337 PolarHBondContact O-N 3.45Å; D335-S337 WeakPolarHBondContact OD1-CB 3.42Å; D335-S337 PolarHBondContact OD1-N 2.84Å; D335-S337 PolarHBondContact OD1-OG 3.48Å |
| 338 | K | 92.6 | Very high | 91.4 | Very high | 89 Ų | 89 | 73.3 Ų | 73.3 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -95 | 5 | 177.4 | -64.1 | 174.3 | -173.1 | 122.6 | 0 | 113.2 | V322 I324 D335 Y336 G340 N341 | V322-K338 HydrophobicContact CG1-CD 4.44Å; I324-K338 HydrophobicContact CG2-CB 3.77Å; D335-K338 PolarHBondContact O-N 3.28Å; D335-K338 WeakPolarHBondContact OD2-CD 3.05Å; D335-K338 VanDerWaalsContact OD2-CE 3.26Å; D335-K338 WeakPolarHBondContact OD2-CE 3.24Å; D335-K338 IonicContact OD2-NZ 3.16Å; D335-K338 PolarHBondContact OD2-NZ 3.48Å; Y336-K338 PolarHBondContact O-N 3.06Å; K338-G340 VanDerWaalsContact C-N 3.32Å; K338-G340 PolarHBondContact O-N 2.95Å; K338-N341 PolarHBondContact O-N 3.49Å |
| 339 | F | 93.5 | Very high | 91.3 | Very high | 16 Ų | 16 | 77.7 Ų | 77.7 | 7% | 0.07 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -42.5 | -172.7 | -177.5 | -90.8 | 0 | 0 | 0 | 113.1 | I189 R208 P261 I324 Y336 | I189-F339 HydrophobicContact CD1-CD1 4.16Å; I189-F339 HydrophobicContact CD1-CD2 4.06Å; I189-F339 HydrophobicContact CD1-CE1 3.94Å; I189-F339 HydrophobicContact CD1-CE2 3.81Å; I189-F339 HydrophobicContact CD1-CG 4.22Å; I189-F339 HydrophobicContact CD1-CZ 3.77Å; I189-F339 HydrophobicContact CG1-CE1 4.21Å; I189-F339 HydrophobicContact CG1-CE2 4.13Å; I189-F339 HydrophobicContact CG1-CZ 3.8Å; R208-F339 HydrophobicContact CB-CZ 4.33Å; R208-F339 WeakPolarHBondContact CD-O 3.48Å; R208-F339 HydrophobicContact CG-CD2 4.23Å; R208-F339 HydrophobicContact CG-CE1 4.42Å; R208-F339 HydrophobicContact CG-CE2 3.67Å; R208-F339 HydrophobicContact CG-CZ 3.76Å; R208-F339 PolarHBondContact NH1-O 3.38Å; P261-F339 HydrophobicContact CB-CD2 4.22Å; P261-F339 HydrophobicContact CB-CE2 3.82Å; P261-F339 HydrophobicContact CG-CD2 4.3Å; P261-F339 HydrophobicContact CG-CE2 4.14Å; I324-F339 HydrophobicContact CD1-CD2 4.18Å; Y336-F339 HydrophobicContact CD1-CB 4.46Å; Y336-F339 AromaticContact CD1-CD2 3.91Å; Y336-F339 HydrophobicContact CD1-CD2 3.91Å; Y336-F339 HydrophobicContact CD1-CG 4.45Å; Y336-F339 HydrophobicContact CE1-CD2 4.13Å; Y336-F339 HydrophobicContact CE1-CE2 4.42Å; Y336-F339 WeakPolarHBondContact O-CB 3.4Å; Y336-F339 PolarHBondContact O-N 2.82Å |
| 340 | G | 92.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K338 | K338-G340 VanDerWaalsContact C-N 3.32Å; K338-G340 PolarHBondContact O-N 2.95Å |
| 341 | N | 95.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | trans | -76.2 | 133.2 | -171 | -70.1 | -6.3 | 0 | 0 | 0 | 111 | V322 K338 | V322-N341 HydrophobicContact CB-CB 4.29Å; V322-N341 HydrophobicContact CG2-CB 4.03Å; V322-N341 PolarHBondContact N-O 3.45Å; K338-N341 PolarHBondContact O-N 3.49Å | ||
| 342 | T | 95.8 | Very high | 91.5 | Very high | 34 Ų | 34 | 61 Ų | 61 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.5 | 179 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | V195 H319 R320 F321 | V195-T342 HydrophobicContact CG1-CG2 3.6Å; H319-T342 PolarHBondContact ND1-OG1 2.88Å; R320-T342 CarbonylContact O-C 3.56Å; R320-T342 VanDerWaalsContact O-CA 3.26Å; R320-T342 WeakPolarHBondContact O-CA 3.34Å; F321-T342 HydrophobicContact CD1-CG2 3.74Å; F321-T342 HydrophobicContact CE1-CG2 3.83Å; F321-T342 HydrophobicContact CG-CG2 4.5Å |
| 343 | V | 94.7 | Very high | 91.5 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.8 | 175.5 | -71.4 | 0 | 0 | 0 | 0 | 109.7 | H319 R320 V322 V345 | H319-V343 CarbonylContact C-O 3.6Å; H319-V343 VanDerWaalsContact CA-O 3.31Å; H319-V343 WeakPolarHBondContact CA-O 3.48Å; R320-V343 HydrophobicContact CB-CG2 4.37Å; R320-V343 PolarHBondContact N-O 3.33Å; R320-V343 WeakPolarHBondContact O-CG2 3.37Å; R320-V343 PolarHBondContact O-N 3.28Å; V322-V343 HydrophobicContact CG2-CG1 3.67Å; V343-V345 HydrophobicContact CG2-CG2 4.39Å |
| 344 | K | 93.4 | Very high | 91.5 | Very high | 174 Ų | 174 | 61.4 Ų | 61.4 | 76% | 0.757 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 130.9 | 173.5 | -75.7 | 179.3 | 179.8 | -176.8 | 0 | 109.6 | G318 H319 | G318-K344 WeakPolarHBondContact O-CA 3.35Å; H319-K344 WeakPolarHBondContact NE2-CE 3.47Å; H319-K344 WeakPolarHBondContact NE2-CG 3.45Å |
| 345 | V | 91.1 | Very high | 91.4 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | trans | -126.3 | 147.9 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | G318 R320 V343 A347 | G318-V345 CarbonylContact C-O 3.33Å; G318-V345 PolarHBondContact O-N 3.32Å; R320-V345 HydrophobicContact CB-CG2 3.66Å; V343-V345 HydrophobicContact CG2-CG2 4.39Å; V345-A347 PolarHBondContact O-N 3.26Å; V345-A347 VanDerWaalsContact O-N 3.12Å | ||
| 346 | A | 86.9 | Confident | 91.1 | Very high | 41 Ų | 41 | 61.5 Ų | 61.5 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | trans | -63.5 | 117.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | T365 | A346-T365 HydrophobicContact CB-CG2 4.38Š| ||
| 347 | A | 87.1 | Confident | 91 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | trans | -132.9 | 145 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | V345 | V345-A347 PolarHBondContact O-N 3.26Å; V345-A347 VanDerWaalsContact O-N 3.12Å | ||
| 348 | P | 88.7 | Confident | 90.8 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | trans | -63.2 | 142.1 | 174.8 | 30.4 | -34.7 | 0 | 0 | 0 | 108.6 | V198 W317 C350 L355 I361 L362 | V198-P348 VanDerWaalsContact CG2-CD 3.44Å; V198-P348 HydrophobicContact CG2-CG 3.92Å; W317-P348 PolarHBondContact NE1-O 2.83Å; P348-C350 VanDerWaalsContact C-N 3.35Å; P348-L355 HydrophobicContact CB-CD1 4.15Å; P348-L355 HydrophobicContact CG-CD1 3.78Å; P348-L355 HydrophobicContact CG-CD2 4.33Å; P348-I361 HydrophobicContact CB-CG2 4.13Å; P348-L362 HydrophobicContact CG-CD1 4.5Å | ||
| 349 | R | 88.1 | Confident | 90.4 | Very high | 210 Ų | 210 | 65.6 Ų | 65.6 | 79% | 0.792 | 33% | 0.332 | S | S | * | . | trans | -90.8 | -2.2 | 180 | -69.1 | -175 | 173.8 | 177.1 | -2.7 | 113.4 | A279 | A279-R349 HydrophobicContact CB-CB 4.04Å; A279-R349 HydrophobicContact CB-CG 4.33Å; A279-R349 WeakPolarHBondContact CB-O 3.49Å; A279-R349 PolarHBondContact N-O 2.98Å; A279-R349 VanDerWaalsContact N-O 3.15Å | ||
| 350 | C | 89.1 | Confident | 89.7 | Confident | 14 Ų | 14 | 67.8 Ų | 67.8 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -73.5 | 165.5 | 176.3 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | W317 P348 E354 | W317-C350 VanDerWaalsContact CZ2-O 3.27Å; W317-C350 WeakPolarHBondContact CZ2-O 3.26Å; P348-C350 VanDerWaalsContact C-N 3.35Å; C350-E354 HydrophobicContact CB-CB 3.85Å; C350-E354 WeakPolarHBondContact CB-OE2 3.36Å |
| 351 | S | 92.2 | Very high | 89.1 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | trans | -68 | 165.9 | 170.7 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | I277 R353 E354 L355 | I277-S351 WeakPolarHBondContact O-CA 3.39Å; S351-R353 VanDerWaalsContact C-N 3.26Å; S351-R353 PolarHBondContact O-N 3.36Å; S351-E354 PolarHBondContact O-N 3.16Å; S351-E354 WeakPolarHBondContact OG-CG 3.32Å; S351-E354 PolarHBondContact OG-N 3.39Å; S351-L355 WeakPolarHBondContact O-CB 3.46Å; S351-L355 PolarHBondContact O-N 3.23Å; S351-L355 VanDerWaalsContact O-N 3.08Å | ||
| 352 | A | 90.6 | Very high | 88.4 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L203 I268 Y275 L355 D356 | L203-A352 HydrophobicContact CB-CB 4.36Å; L203-A352 HydrophobicContact CD2-CB 4.16Å; I268-A352 HydrophobicContact CB-CB 4.15Å; I268-A352 HydrophobicContact CG2-CB 3.55Å; Y275-A352 HydrophobicContact CD2-CB 3.76Å; Y275-A352 HydrophobicContact CE2-CB 4.11Å; Y275-A352 PolarHBondContact O-N 3.24Å; A352-L355 WeakPolarHBondContact O-CB 3.49Å; A352-L355 PolarHBondContact O-N 3.44Å; A352-D356 PolarHBondContact O-N 3.47Å |
| 353 | R | 91.5 | Very high | 87.6 | Confident | 117 Ų | 117 | 68.6 Ų | 68.6 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.6 | -51.1 | 171.9 | -179 | 173.9 | 171 | 174.8 | 0.4 | 113.4 | Y275 D276 S351 L355 D356 E357 | Y275-R353 HydrophobicContact CD1-CB 3.79Å; Y275-R353 HydrophobicContact CD1-CG 4.34Å; Y275-R353 HydrophobicContact CE1-CB 3.45Å; Y275-R353 VanDerWaalsContact CE1-CB 3.45Å; Y275-R353 HydrophobicContact CE1-CG 3.69Å; Y275-R353 HydrophobicContact CE2-CB 4.38Å; Y275-R353 HydrophobicContact CG-CB 4.4Å; Y275-R353 VanDerWaalsContact CZ-CA 3.43Å; Y275-R353 PolarHBondContact O-N 3.48Å; D276-R353 WeakPolarHBondContact OD1-CD 3.31Å; D276-R353 IonicContact OD1-NH1 3.33Å; D276-R353 PolarHBondContact OD1-NH1 3.44Å; S351-R353 VanDerWaalsContact C-N 3.26Å; S351-R353 PolarHBondContact O-N 3.36Å; R353-L355 PolarHBondContact O-N 2.89Å; R353-D356 PolarHBondContact O-N 2.86Å; R353-E357 HydrophobicContact CG-CG 4.5Å; R353-E357 WeakPolarHBondContact CG-OE1 3.38Å; R353-E357 IonicContact CZ-OE1 3.85Å; R353-E357 IonicContact NE-OE1 3.1Å; R353-E357 PolarHBondContact NE-OE1 2.86Å; R353-E357 IonicContact NH2-OE1 3.81Å; R353-E357 WeakPolarHBondContact O-CG 3.26Å; R353-E357 PolarHBondContact O-N 3.41Å |
| 354 | E | 90.3 | Very high | 86.9 | Confident | 93 Ų | 93 | 71.5 Ų | 71.5 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -32.9 | 178 | -74.8 | 175.6 | -173.9 | 0 | 0 | 111.7 | C350 S351 K358 | C350-E354 HydrophobicContact CB-CB 3.85Å; C350-E354 WeakPolarHBondContact CB-OE2 3.36Å; S351-E354 PolarHBondContact O-N 3.16Å; S351-E354 WeakPolarHBondContact OG-CG 3.32Å; S351-E354 PolarHBondContact OG-N 3.39Å; E354-K358 PolarHBondContact O-N 3.41Å |
| 355 | L | 89.2 | Confident | 86.2 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 175.7 | -166 | 68.1 | 0 | 0 | 0 | 112 | L203 P348 S351 A352 R353 K358 P359 L362 | L203-L355 HydrophobicContact CB-CD2 4.27Å; P348-L355 HydrophobicContact CB-CD1 4.15Å; P348-L355 HydrophobicContact CG-CD1 3.78Å; P348-L355 HydrophobicContact CG-CD2 4.33Å; S351-L355 WeakPolarHBondContact O-CB 3.46Å; S351-L355 PolarHBondContact O-N 3.23Å; S351-L355 VanDerWaalsContact O-N 3.08Å; A352-L355 WeakPolarHBondContact O-CB 3.49Å; A352-L355 PolarHBondContact O-N 3.44Å; R353-L355 PolarHBondContact O-N 2.89Å; L355-K358 CarbonylContact O-C 3.59Å; L355-P359 WeakPolarHBondContact O-CA 3.35Å; L355-L362 HydrophobicContact CD1-CB 3.84Å; L355-L362 HydrophobicContact CD1-CD1 4.47Å |
| 356 | D | 88.4 | Confident | 85.6 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 175.8 | -79.1 | -5.3 | 0 | 0 | 0 | 112.1 | Y275 A352 R353 | Y275-D356 VanDerWaalsContact CE2-OD2 3.22Å; Y275-D356 WeakPolarHBondContact CE2-OD2 3.33Å; Y275-D356 WeakPolarHBondContact OH-CB 3.34Å; Y275-D356 PolarHBondContact OH-OD2 3.45Å; A352-D356 PolarHBondContact O-N 3.47Å; R353-D356 PolarHBondContact O-N 2.86Å |
| 357 | E | 88.9 | Confident | 85.1 | Confident | 114 Ų | 114 | 69.6 Ų | 69.6 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70 | -35.6 | 177.1 | -72 | 176.3 | -172.8 | 0 | 0 | 112 | R353 | R353-E357 HydrophobicContact CG-CG 4.5Å; R353-E357 WeakPolarHBondContact CG-OE1 3.38Å; R353-E357 IonicContact CZ-OE1 3.85Å; R353-E357 IonicContact NE-OE1 3.1Å; R353-E357 PolarHBondContact NE-OE1 2.86Å; R353-E357 IonicContact NH2-OE1 3.81Å; R353-E357 WeakPolarHBondContact O-CG 3.26Å; R353-E357 PolarHBondContact O-N 3.41Å |
| 358 | K | 88.4 | Confident | 84.6 | Confident | 126 Ų | 126 | 76.5 Ų | 76.5 | 55% | 0.548 | 37% | 0.367 | S | S | . | . | trans | -131.5 | 77.6 | -176.6 | -66.6 | 177.2 | -175.4 | 168 | 0 | 111.4 | E354 L355 S360 I361 | E354-K358 PolarHBondContact O-N 3.41Å; L355-K358 CarbonylContact O-C 3.59Å; K358-S360 PolarHBondContact O-N 3.07Å; K358-I361 HydrophobicContact CB-CD1 3.68Å; K358-I361 HydrophobicContact CB-CG1 3.96Å; K358-I361 HydrophobicContact CD-CD1 4.23Å; K358-I361 WeakPolarHBondContact O-CB 3.22Å; K358-I361 WeakPolarHBondContact O-CG1 3.27Å; K358-I361 PolarHBondContact O-N 3.35Å | ||
| 359 | P | 82.9 | Confident | 84 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.1 | 179.7 | 24.7 | -34.3 | 0 | 0 | 0 | 113.6 | L355 I361 L362 I363 | L355-P359 WeakPolarHBondContact O-CA 3.35Å; P359-I361 PolarHBondContact O-N 3.18Å; P359-L362 WeakPolarHBondContact O-CB 3.41Å; P359-L362 PolarHBondContact O-N 3.14Å; P359-L362 VanDerWaalsContact O-N 3.14Å; P359-I363 PolarHBondContact O-N 3.06Å |
| 360 | S | 78.9 | Confident | 83.4 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 44% | 0.441 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.9 | -29.6 | 172.9 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | K358 L362 I363 Q364 | K358-S360 PolarHBondContact O-N 3.07Å; S360-L362 VanDerWaalsContact C-N 3.26Å; S360-L362 PolarHBondContact O-N 2.91Å; S360-I363 PolarHBondContact O-N 3.28Å; S360-Q364 WeakPolarHBondContact O-CG 3.3Å; S360-Q364 PolarHBondContact O-N 3.41Å |
| 361 | I | 80.2 | Confident | 82.6 | Confident | 45 Ų | 45 | 78.1 Ų | 78.1 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 176.2 | -62.3 | 173.8 | 0 | 0 | 0 | 110.4 | P348 K358 P359 T365 | P348-I361 HydrophobicContact CB-CG2 4.13Å; K358-I361 HydrophobicContact CB-CD1 3.68Å; K358-I361 HydrophobicContact CB-CG1 3.96Å; K358-I361 HydrophobicContact CD-CD1 4.23Å; K358-I361 WeakPolarHBondContact O-CB 3.22Å; K358-I361 WeakPolarHBondContact O-CG1 3.27Å; K358-I361 PolarHBondContact O-N 3.35Å; P359-I361 PolarHBondContact O-N 3.18Å; I361-T365 WeakPolarHBondContact O-CB 3.42Å; I361-T365 PolarHBondContact O-N 3.37Å; I361-T365 PolarHBondContact O-OG1 2.99Å |
| 362 | L | 79.9 | Confident | 81.6 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.8 | -50 | 177.7 | -177.9 | 61.5 | 0 | 0 | 0 | 110.7 | V198 P348 L355 P359 S360 Q364 T365 L366 | V198-L362 HydrophobicContact CB-CD1 4.33Å; V198-L362 HydrophobicContact CG1-CD1 3.85Å; V198-L362 HydrophobicContact CG2-CD1 3.9Å; P348-L362 HydrophobicContact CG-CD1 4.5Å; L355-L362 HydrophobicContact CD1-CB 3.84Å; L355-L362 HydrophobicContact CD1-CD1 4.47Å; P359-L362 WeakPolarHBondContact O-CB 3.41Å; P359-L362 PolarHBondContact O-N 3.14Å; P359-L362 VanDerWaalsContact O-N 3.14Å; S360-L362 VanDerWaalsContact C-N 3.26Å; S360-L362 PolarHBondContact O-N 2.91Å; L362-Q364 VanDerWaalsContact C-N 3.35Å; L362-Q364 PolarHBondContact O-N 2.97Å; L362-T365 PolarHBondContact O-N 3.37Å; L362-T365 VanDerWaalsContact O-N 3.15Å; L362-L366 HydrophobicContact CD1-CD1 4.01Å; L362-L366 HydrophobicContact CD1-CG 4.13Å; L362-L366 HydrophobicContact CD2-CD1 4.47Å; L362-L366 HydrophobicContact CG-CD1 3.9Å; L362-L366 HydrophobicContact CG-CG 4.38Å; L362-L366 WeakPolarHBondContact O-CG 3.24Å; L362-L366 PolarHBondContact O-N 2.99Å |
| 363 | I | 78.5 | Confident | 80.9 | Confident | 97 Ų | 97 | 86.4 Ų | 86.4 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | -178.3 | -61.7 | 173.2 | 0 | 0 | 0 | 110.2 | P359 S360 T365 L366 Q367 | P359-I363 PolarHBondContact O-N 3.06Å; S360-I363 PolarHBondContact O-N 3.28Å; I363-T365 VanDerWaalsContact C-N 3.32Å; I363-T365 PolarHBondContact O-N 2.87Å; I363-L366 PolarHBondContact O-N 3.44Å; I363-Q367 HydrophobicContact CG2-CG 4.28Å; I363-Q367 WeakPolarHBondContact O-CB 3.41Å; I363-Q367 VanDerWaalsContact O-CG 3.3Å; I363-Q367 WeakPolarHBondContact O-CG 3.21Å; I363-Q367 PolarHBondContact O-N 3.1Å |
| 364 | Q | 79.8 | Confident | 80 | Confident | 126 Ų | 126 | 86.9 Ų | 86.9 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 176.8 | -73.1 | 177.9 | -1.2 | 0 | 0 | 112.2 | S360 L362 K368 | S360-Q364 WeakPolarHBondContact O-CG 3.3Å; S360-Q364 PolarHBondContact O-N 3.41Å; L362-Q364 VanDerWaalsContact C-N 3.35Å; L362-Q364 PolarHBondContact O-N 2.97Å; Q364-K368 VanDerWaalsContact O-CB 3.22Å; Q364-K368 WeakPolarHBondContact O-CB 3.32Å; Q364-K368 PolarHBondContact O-N 3.29Å |
| 365 | T | 79.3 | Confident | 79.2 | Confident | 33 Ų | 33 | 86.8 Ų | 86.8 | 20% | 0.202 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 179.3 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | A346 I361 L362 I363 S369 | A346-T365 HydrophobicContact CB-CG2 4.38Å; I361-T365 WeakPolarHBondContact O-CB 3.42Å; I361-T365 PolarHBondContact O-N 3.37Å; I361-T365 PolarHBondContact O-OG1 2.99Å; L362-T365 PolarHBondContact O-N 3.37Å; L362-T365 VanDerWaalsContact O-N 3.15Å; I363-T365 VanDerWaalsContact C-N 3.32Å; I363-T365 PolarHBondContact O-N 2.87Å; T365-S369 WeakPolarHBondContact O-CB 3.4Å; T365-S369 PolarHBondContact O-N 3.22Å |
| 366 | L | 78.4 | Confident | 78.5 | Confident | 76 Ų | 76 | 89.3 Ų | 89.3 | 40% | 0.398 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 177.6 | -68.7 | 175.6 | 0 | 0 | 0 | 111.4 | L362 I363 K368 S369 E370 | L362-L366 HydrophobicContact CD1-CD1 4.01Å; L362-L366 HydrophobicContact CD1-CG 4.13Å; L362-L366 HydrophobicContact CD2-CD1 4.47Å; L362-L366 HydrophobicContact CG-CD1 3.9Å; L362-L366 HydrophobicContact CG-CG 4.38Å; L362-L366 WeakPolarHBondContact O-CG 3.24Å; L362-L366 PolarHBondContact O-N 2.99Å; I363-L366 PolarHBondContact O-N 3.44Å; L366-K368 PolarHBondContact O-N 2.89Å; L366-S369 WeakPolarHBondContact O-CA 3.39Å; L366-S369 VanDerWaalsContact O-CB 3.31Å; L366-S369 WeakPolarHBondContact O-CB 3.48Å; L366-S369 PolarHBondContact O-N 2.95Å; L366-S369 PolarHBondContact O-OG 2.84Å; L366-E370 PolarHBondContact O-N 3.42Å |
| 367 | Q | 77.6 | Confident | 77.8 | Confident | 118 Ų | 118 | 89 Ų | 89 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.3 | -44 | 175.8 | -75.9 | 177.4 | -19.9 | 0 | 0 | 112.2 | I363 S369 E370 L371 | I363-Q367 HydrophobicContact CG2-CG 4.28Å; I363-Q367 WeakPolarHBondContact O-CB 3.41Å; I363-Q367 VanDerWaalsContact O-CG 3.3Å; I363-Q367 WeakPolarHBondContact O-CG 3.21Å; I363-Q367 PolarHBondContact O-N 3.1Å; Q367-S369 PolarHBondContact O-N 3.33Å; Q367-E370 PolarHBondContact O-N 3.49Å; Q367-L371 WeakPolarHBondContact O-CB 3.38Å; Q367-L371 PolarHBondContact O-N 2.99Å |
| 368 | K | 75.9 | Confident | 77 | Confident | 162 Ų | 162 | 92.7 Ų | 92.7 | 70% | 0.704 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.3 | -35.4 | 175 | -171 | 174.1 | -176.1 | 174.6 | 0 | 111.4 | Q364 L366 S372 | Q364-K368 VanDerWaalsContact O-CB 3.22Å; Q364-K368 WeakPolarHBondContact O-CB 3.32Å; Q364-K368 PolarHBondContact O-N 3.29Å; L366-K368 PolarHBondContact O-N 2.89Å; K368-S372 VanDerWaalsContact O-CB 3.31Å; K368-S372 WeakPolarHBondContact O-CB 3.43Å; K368-S372 PolarHBondContact O-N 3.49Å; K368-S372 PolarHBondContact O-OG 3.5Å |
| 369 | S | 75.7 | Confident | 76.4 | Confident | 31 Ų | 31 | 93.6 Ų | 93.6 | 22% | 0.217 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 176.6 | 87.1 | 0 | 0 | 0 | 0 | 112.3 | T365 L366 Q367 L371 S372 H373 | T365-S369 WeakPolarHBondContact O-CB 3.4Å; T365-S369 PolarHBondContact O-N 3.22Å; L366-S369 WeakPolarHBondContact O-CA 3.39Å; L366-S369 VanDerWaalsContact O-CB 3.31Å; L366-S369 WeakPolarHBondContact O-CB 3.48Å; L366-S369 PolarHBondContact O-N 2.95Å; L366-S369 PolarHBondContact O-OG 2.84Å; Q367-S369 PolarHBondContact O-N 3.33Å; S369-L371 PolarHBondContact O-N 2.92Å; S369-S372 PolarHBondContact O-N 3.34Å; S369-S372 PolarHBondContact O-OG 3.35Å; S369-H373 WeakPolarHBondContact O-CB 3.48Å; S369-H373 PolarHBondContact O-N 3.45Å |
| 370 | E | 75.3 | Confident | 75.9 | Confident | 125 Ų | 125 | 98.7 Ų | 98.7 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 178 | -70.6 | -177.4 | 160.1 | 0 | 0 | 111.1 | L366 Q367 S372 H373 Q374 | L366-E370 PolarHBondContact O-N 3.42Å; Q367-E370 PolarHBondContact O-N 3.49Å; E370-S372 VanDerWaalsContact C-N 3.32Å; E370-S372 PolarHBondContact O-N 3.39Å; E370-H373 PolarHBondContact O-N 3.11Å; E370-Q374 WeakPolarHBondContact O-CG 3.48Å; E370-Q374 PolarHBondContact O-N 2.99Å |
| 371 | L | 72.5 | Confident | 75.7 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 55% | 0.55 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 176 | -157.3 | 103.4 | 0 | 0 | 0 | 111.4 | Q367 S369 N375 | Q367-L371 WeakPolarHBondContact O-CB 3.38Å; Q367-L371 PolarHBondContact O-N 2.99Å; S369-L371 PolarHBondContact O-N 2.92Å; L371-N375 WeakPolarHBondContact O-CB 3.38Å; L371-N375 VanDerWaalsContact O-CG 3.23Å; L371-N375 PolarHBondContact O-N 3.03Å; L371-N375 PolarHBondContact O-ND2 2.68Å |
| 372 | S | 71.9 | Confident | 75.5 | Confident | 69 Ų | 69 | 101.4 Ų | 101.4 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 176.4 | 77.4 | 0 | 0 | 0 | 0 | 112.3 | K368 S369 E370 N375 S376 | K368-S372 VanDerWaalsContact O-CB 3.31Å; K368-S372 WeakPolarHBondContact O-CB 3.43Å; K368-S372 PolarHBondContact O-N 3.49Å; K368-S372 PolarHBondContact O-OG 3.5Å; S369-S372 PolarHBondContact O-N 3.34Å; S369-S372 PolarHBondContact O-OG 3.35Å; E370-S372 VanDerWaalsContact C-N 3.32Å; E370-S372 PolarHBondContact O-N 3.39Å; S372-N375 PolarHBondContact O-N 2.96Å; S372-S376 WeakPolarHBondContact O-CB 3.29Å; S372-S376 PolarHBondContact O-N 2.9Å |
| 373 | H | 75.4 | Confident | 75.1 | Confident | 114 Ų | 114 | 105.2 Ų | 105.2 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67 | -47.1 | 178 | -171.7 | -99.1 | 0 | 0 | 0 | 110.8 | S369 E370 N375 S376 L377 | S369-H373 WeakPolarHBondContact O-CB 3.48Å; S369-H373 PolarHBondContact O-N 3.45Å; E370-H373 PolarHBondContact O-N 3.11Å; H373-N375 PolarHBondContact O-N 3.36Å; H373-S376 PolarHBondContact O-N 2.97Å; H373-S376 PolarHBondContact O-OG 3.1Å; H373-L377 WeakPolarHBondContact O-CG 3.18Å; H373-L377 PolarHBondContact O-N 2.99Å |
| 374 | Q | 72.7 | Confident | 74.8 | Confident | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.7 | -43.1 | 174.7 | -73.7 | -175.7 | -3.6 | 0 | 0 | 112.3 | E370 S376 L377 R378 | E370-Q374 WeakPolarHBondContact O-CG 3.48Å; E370-Q374 PolarHBondContact O-N 2.99Å; Q374-S376 VanDerWaalsContact C-N 3.32Å; Q374-S376 PolarHBondContact O-N 3.12Å; Q374-L377 PolarHBondContact O-N 3.32Å; Q374-R378 WeakPolarHBondContact O-CB 3.45Å; Q374-R378 PolarHBondContact O-N 2.96Å |
| 375 | N | 73.4 | Confident | 74.4 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.8 | -76.4 | -24.5 | 0 | 0 | 0 | 112.1 | L371 S372 H373 R378 K379 | L371-N375 WeakPolarHBondContact O-CB 3.38Å; L371-N375 VanDerWaalsContact O-CG 3.23Å; L371-N375 PolarHBondContact O-N 3.03Å; L371-N375 PolarHBondContact O-ND2 2.68Å; S372-N375 PolarHBondContact O-N 2.96Å; H373-N375 PolarHBondContact O-N 3.36Å; N375-R378 PolarHBondContact O-N 3.41Å; N375-K379 WeakPolarHBondContact O-CB 3.37Å; N375-K379 PolarHBondContact O-N 2.99Å |
| 376 | S | 74.5 | Confident | 74 | Confident | 63 Ų | 63 | 115.5 Ų | 115.5 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.2 | 81.3 | 0 | 0 | 0 | 0 | 112.2 | S372 H373 Q374 K379 R380 | S372-S376 WeakPolarHBondContact O-CB 3.29Å; S372-S376 PolarHBondContact O-N 2.9Å; H373-S376 PolarHBondContact O-N 2.97Å; H373-S376 PolarHBondContact O-OG 3.1Å; Q374-S376 VanDerWaalsContact C-N 3.32Å; Q374-S376 PolarHBondContact O-N 3.12Å; S376-K379 PolarHBondContact O-N 3.4Å; S376-R380 WeakPolarHBondContact O-CB 3.1Å; S376-R380 PolarHBondContact O-N 3.15Å |
| 377 | L | 74 | Confident | 73.6 | Confident | 77 Ų | 77 | 116.7 Ų | 116.7 | 40% | 0.403 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -44.5 | 175.7 | -71.7 | 172.9 | 0 | 0 | 0 | 111.3 | H373 Q374 K379 R380 N381 | H373-L377 WeakPolarHBondContact O-CG 3.18Å; H373-L377 PolarHBondContact O-N 2.99Å; Q374-L377 PolarHBondContact O-N 3.32Å; L377-K379 VanDerWaalsContact C-N 3.34Å; L377-K379 PolarHBondContact O-N 3.14Å; L377-R380 PolarHBondContact O-N 3.18Å; L377-N381 WeakPolarHBondContact O-CB 3.27Å; L377-N381 PolarHBondContact O-N 2.91Å |
| 378 | R | 72.8 | Confident | 73.2 | Confident | 193 Ų | 193 | 114.1 Ų | 114.1 | 73% | 0.728 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 177.1 | -167.1 | 175.3 | -178.9 | 179.9 | 0.8 | 111.5 | Q374 N375 N381 S382 | Q374-R378 WeakPolarHBondContact O-CB 3.45Å; Q374-R378 PolarHBondContact O-N 2.96Å; N375-R378 PolarHBondContact O-N 3.41Å; R378-N381 PolarHBondContact O-N 3.02Å; R378-S382 WeakPolarHBondContact O-CB 3.36Å; R378-S382 PolarHBondContact O-N 2.94Å |
| 379 | K | 73.9 | Confident | 72.9 | Confident | 145 Ų | 145 | 110 Ų | 110 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 175 | -168.1 | 177.3 | -178.4 | 175.6 | 0 | 111.9 | N375 S376 L377 S382 M383 | N375-K379 WeakPolarHBondContact O-CB 3.37Å; N375-K379 PolarHBondContact O-N 2.99Å; S376-K379 PolarHBondContact O-N 3.4Å; L377-K379 VanDerWaalsContact C-N 3.34Å; L377-K379 PolarHBondContact O-N 3.14Å; K379-S382 PolarHBondContact O-N 3.34Å; K379-M383 HydrophobicContact CD-CE 4.47Å; K379-M383 HydrophobicContact CG-CE 3.95Å; K379-M383 PolarHBondContact O-N 3.4Å |
| 380 | R | 73.8 | Confident | 72.4 | Confident | 190 Ų | 190 | 117.9 Ų | 117.9 | 72% | 0.717 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.2 | -41.7 | 176.9 | -152.9 | 173.4 | -166.2 | 166.1 | 2.1 | 111.7 | S376 L377 M383 R384 | S376-R380 WeakPolarHBondContact O-CB 3.1Å; S376-R380 PolarHBondContact O-N 3.15Å; L377-R380 PolarHBondContact O-N 3.18Å; R380-M383 PolarHBondContact O-N 3.06Å; R380-R384 WeakPolarHBondContact O-CB 3.43Å; R380-R384 PolarHBondContact O-N 2.03Å |
| 381 | N | 74.4 | Confident | 71.7 | Confident | 105 Ų | 105 | 121.5 Ų | 121.5 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.6 | -40.2 | 175.6 | -72.5 | -11.7 | 0 | 0 | 0 | 112 | L377 R378 R384 R385 | L377-N381 WeakPolarHBondContact O-CB 3.27Å; L377-N381 PolarHBondContact O-N 2.91Å; R378-N381 PolarHBondContact O-N 3.02Å; N381-R384 PolarHBondContact O-N 3.48Å; N381-R385 WeakPolarHBondContact O-CB 3.33Å; N381-R385 PolarHBondContact O-N 3.31Å |
| 382 | S | 75.2 | Confident | 71.1 | Confident | 61 Ų | 61 | 119.3 Ų | 119.3 | 43% | 0.427 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62 | -44.9 | 172.9 | 173 | 0 | 0 | 0 | 0 | 111.9 | R378 K379 R384 R385 N386 | R378-S382 WeakPolarHBondContact O-CB 3.36Å; R378-S382 PolarHBondContact O-N 2.94Å; K379-S382 PolarHBondContact O-N 3.34Å; S382-R384 PolarHBondContact O-N 2.85Å; S382-R385 PolarHBondContact O-N 2.75Å; S382-N386 WeakPolarHBondContact O-CB 3.01Å; S382-N386 PolarHBondContact O-N 2.87Å |
| 383 | M | 72.4 | Confident | 70.4 | Confident | 102 Ų | 102 | 120.3 Ų | 120.3 | 50% | 0.502 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.3 | -41.8 | 174.2 | -87.5 | -171 | -86.4 | 0 | 0 | 112.5 | K379 R380 R385 N386 N387 | K379-M383 HydrophobicContact CD-CE 4.47Å; K379-M383 HydrophobicContact CG-CE 3.95Å; K379-M383 PolarHBondContact O-N 3.4Å; R380-M383 PolarHBondContact O-N 3.06Å; M383-R385 VanDerWaalsContact C-N 3.33Å; M383-R385 PolarHBondContact O-N 3.24Å; M383-N386 PolarHBondContact O-N 3.28Å; M383-N387 WeakPolarHBondContact O-CB 3.43Å; M383-N387 PolarHBondContact O-N 3.12Å |
| 384 | R | 72.1 | Confident | 69.5 | Low | 198 Ų | 198 | 118.6 Ų | 118.6 | 75% | 0.747 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.6 | -39.8 | 177.2 | -159.6 | 175 | -176.2 | 179.7 | 0.4 | 111.3 | R380 N381 S382 N387 S388 | R380-R384 WeakPolarHBondContact O-CB 3.43Å; R380-R384 PolarHBondContact O-N 2.03Å; N381-R384 PolarHBondContact O-N 3.48Å; S382-R384 PolarHBondContact O-N 2.85Å; R384-N387 PolarHBondContact O-N 3.11Å; R384-S388 PolarHBondContact O-N 3.38Å; R384-S388 PolarHBondContact O-OG 3.32Å |
| 385 | R | 71.7 | Confident | 68.6 | Low | 181 Ų | 181 | 119.7 Ų | 119.7 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.6 | -40.7 | 174.9 | -167.8 | 175.4 | -178.8 | 174.6 | 0.1 | 112.4 | N381 S382 M383 S388 I389 | N381-R385 WeakPolarHBondContact O-CB 3.33Å; N381-R385 PolarHBondContact O-N 3.31Å; S382-R385 PolarHBondContact O-N 2.75Å; M383-R385 VanDerWaalsContact C-N 3.33Å; M383-R385 PolarHBondContact O-N 3.24Å; R385-S388 WeakPolarHBondContact CA-OG 3.31Å; R385-S388 PolarHBondContact O-N 3.22Å; R385-S388 PolarHBondContact O-OG 2.99Å; R385-I389 HydrophobicContact CG-CD1 4.11Å; R385-I389 WeakPolarHBondContact O-CD1 3.39Å; R385-I389 VanDerWaalsContact O-CG1 3.24Å; R385-I389 WeakPolarHBondContact O-CG1 3.39Å; R385-I389 PolarHBondContact O-N 3.46Å |
| 386 | N | 70.8 | Confident | 67.7 | Low | 93 Ų | 93 | 125.7 Ų | 125.7 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.5 | -36.6 | 175.7 | -76.6 | -1.2 | 0 | 0 | 0 | 112 | S382 M383 R390 | S382-N386 WeakPolarHBondContact O-CB 3.01Å; S382-N386 PolarHBondContact O-N 2.87Å; M383-N386 PolarHBondContact O-N 3.28Å; N386-R390 WeakPolarHBondContact O-CB 3.44Å; N386-R390 PolarHBondContact O-N 2.87Å |
| 387 | N | 70.3 | Confident | 66.6 | Low | 100 Ų | 100 | 133.5 Ų | 133.5 | 54% | 0.535 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.1 | -34.8 | 174.5 | -82.7 | -6.1 | 0 | 0 | 0 | 112.7 | M383 R384 R391 | M383-N387 WeakPolarHBondContact O-CB 3.43Å; M383-N387 PolarHBondContact O-N 3.12Å; R384-N387 PolarHBondContact O-N 3.11Å; N387-R391 WeakPolarHBondContact O-CG 3.2Å; N387-R391 PolarHBondContact O-N 3.26Å |
| 388 | S | 68.4 | Low | 65.3 | Low | 65 Ų | 65 | 134.3 Ų | 134.3 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.1 | -40.3 | 173.6 | 66.8 | 0 | 0 | 0 | 0 | 112 | R384 R385 R391 S392 | R384-S388 PolarHBondContact O-N 3.38Å; R384-S388 PolarHBondContact O-OG 3.32Å; R385-S388 WeakPolarHBondContact CA-OG 3.31Å; R385-S388 PolarHBondContact O-N 3.22Å; R385-S388 PolarHBondContact O-OG 2.99Å; S388-R391 PolarHBondContact O-N 3.37Å; S388-S392 PolarHBondContact O-N 2.98Å |
| 389 | I | 69.9 | Low | 63.9 | Low | 75 Ų | 75 | 132.4 Ų | 132.4 | 39% | 0.385 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.2 | -41.8 | 174.1 | -67.6 | 164.7 | 0 | 0 | 0 | 111.1 | R385 R391 S392 N393 | R385-I389 HydrophobicContact CG-CD1 4.11Å; R385-I389 WeakPolarHBondContact O-CD1 3.39Å; R385-I389 VanDerWaalsContact O-CG1 3.24Å; R385-I389 WeakPolarHBondContact O-CG1 3.39Å; R385-I389 PolarHBondContact O-N 3.46Å; I389-R391 VanDerWaalsContact C-N 3.34Å; I389-R391 PolarHBondContact O-N 3.22Å; I389-S392 PolarHBondContact O-N 2.61Å; I389-S392 PolarHBondContact O-OG 2.88Å; I389-S392 VanDerWaalsContact O-OG 3.11Å; I389-N393 WeakPolarHBondContact O-CB 3.46Å; I389-N393 PolarHBondContact O-N 3.44Å |
| 390 | R | 64.8 | Low | 62.4 | Low | 197 Ų | 197 | 131 Ų | 131 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.1 | -41.5 | 173.1 | -90.7 | -175.5 | 170.5 | -175.6 | -3 | 112.2 | N386 S394 | N386-R390 WeakPolarHBondContact O-CB 3.44Å; N386-R390 PolarHBondContact O-N 2.87Å; R390-S394 WeakPolarHBondContact O-CB 3.18Å; R390-S394 PolarHBondContact O-N 3.38Å |
| 391 | R | 60.1 | Low | 60.7 | Low | 200 Ų | 200 | 126.7 Ų | 126.7 | 76% | 0.755 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66 | -40.2 | 175.2 | -80.4 | -176.5 | 172.3 | -171.6 | -2.8 | 112.6 | N387 S388 I389 S394 M395 | N387-R391 WeakPolarHBondContact O-CG 3.2Å; N387-R391 PolarHBondContact O-N 3.26Å; S388-R391 PolarHBondContact O-N 3.37Å; I389-R391 VanDerWaalsContact C-N 3.34Å; I389-R391 PolarHBondContact O-N 3.22Å; R391-S394 WeakPolarHBondContact O-CB 3.48Å; R391-S394 PolarHBondContact O-N 3.1Å; R391-M395 PolarHBondContact O-N 3.5Å |
| 392 | S | 59.8 | Low | 58.9 | Low | 59 Ų | 59 | 130.2 Ų | 130.2 | 41% | 0.413 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.3 | -38.3 | 177 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | S388 I389 S394 M395 R396 | S388-S392 PolarHBondContact O-N 2.98Å; I389-S392 PolarHBondContact O-N 2.61Å; I389-S392 PolarHBondContact O-OG 2.88Å; I389-S392 VanDerWaalsContact O-OG 3.11Å; S392-S394 VanDerWaalsContact C-N 3.32Å; S392-M395 PolarHBondContact O-N 3.36Å; S392-R396 PolarHBondContact O-N 2.88Å |
| 393 | N | 58.3 | Low | 57 | Low | 91 Ų | 91 | 134.1 Ų | 134.1 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.6 | -29.6 | 175.5 | -77.6 | -2.7 | 0 | 0 | 0 | 112.4 | I389 R397 | I389-N393 WeakPolarHBondContact O-CB 3.46Å; I389-N393 PolarHBondContact O-N 3.44Å; N393-R397 PolarHBondContact O-N 3.37Å |
| 394 | S | 56.3 | Low | 55.2 | Low | 77 Ų | 77 | 135.2 Ų | 135.2 | 54% | 0.538 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.4 | -43.5 | 170.2 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | R390 R391 S392 R397 | R390-S394 WeakPolarHBondContact O-CB 3.18Å; R390-S394 PolarHBondContact O-N 3.38Å; R391-S394 WeakPolarHBondContact O-CB 3.48Å; R391-S394 PolarHBondContact O-N 3.1Å; S392-S394 VanDerWaalsContact C-N 3.32Å; S394-R397 PolarHBondContact O-N 3.1Å |
| 395 | M | 54.8 | Low | 53.4 | Low | 152 Ų | 152 | 131 Ų | 131 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.2 | -33 | 175.9 | -90.9 | -179.9 | 164.1 | 0 | 0 | 113 | R391 S392 R397 T398 | R391-M395 PolarHBondContact O-N 3.5Å; S392-M395 PolarHBondContact O-N 3.36Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 3.33Å; M395-T398 PolarHBondContact O-N 3.08Å; M395-T398 PolarHBondContact O-OG1 2.68Å; M395-T398 VanDerWaalsContact O-OG1 3.06Å |
| 396 | R | 54.3 | Low | 51.4 | Low | 216 Ų | 216 | 132.5 Ų | 132.5 | 82% | 0.815 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.2 | -20.3 | 174.2 | -88.9 | -174.5 | 179.4 | -174.8 | -0.3 | 114.2 | S392 | S392-R396 PolarHBondContact O-N 2.88Å |
| 397 | R | 51.5 | Low | 49.6 | Very low | 226 Ų | 226 | 134.5 Ų | 134.5 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -84.8 | -13.5 | 177.4 | -94.1 | -178.5 | 164.9 | 176.6 | -5 | 113.6 | N393 S394 M395 N399 | N393-R397 PolarHBondContact O-N 3.37Å; S394-R397 PolarHBondContact O-N 3.1Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 3.33Å; R397-N399 PolarHBondContact O-N 3.36Å |
| 398 | T | 45.8 | Very low | 47.8 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | trans | -97.9 | 68.6 | 173.9 | 54 | 0 | 0 | 0 | 0 | 110.2 | M395 | M395-T398 PolarHBondContact O-N 3.08Å; M395-T398 PolarHBondContact O-OG1 2.68Å; M395-T398 VanDerWaalsContact O-OG1 3.06Å | ||
| 399 | N | 43.1 | Very low | 45.9 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -143.2 | 90.7 | 159.7 | -107.1 | 1.3 | 0 | 0 | 0 | 107.5 | R397 | R397-N399 PolarHBondContact O-N 3.36Š| ||
| 400 | P | 42.2 | Very low | 44.1 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | -83.7 | 120.3 | 163.8 | 30.3 | -21.7 | 0 | 0 | 0 | 108.2 | L402 | P400-L402 PolarHBondContact O-N 2.89Š| ||
| 401 | S | 39.4 | Very low | 42.5 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | -50.6 | 116.7 | 159.4 | 46.5 | 0 | 0 | 0 | 0 | 109.9 | I403 | S401-I403 PolarHBondContact O-N 2.71Š| ||
| 402 | L | 36.3 | Very low | 41.3 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 93% | 0.932 | 75% | 0.746 | S | S | * | * | trans | -65.3 | 98.5 | 168 | -96.8 | 143.9 | 0 | 0 | 0 | 109 | P400 | P400-L402 PolarHBondContact O-N 2.89Š| ||
| 403 | I | 35.1 | Very low | 39.9 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 119.5 | 164.1 | -65.6 | 172.7 | 0 | 0 | 0 | 106.9 | S401 | S401-I403 PolarHBondContact O-N 2.71Š|
| 404 | V | 34.7 | Very low | 38.5 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 129.3 | 174.6 | 177 | 0 | 0 | 0 | 0 | 110 | ||
| 405 | P | 34.8 | Very low | 37.3 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 124.1 | 167.2 | 31.1 | -26.2 | 0 | 0 | 0 | 110.1 | ||
| 406 | K | 28.8 | Very low | 36.2 | Very low | 213 Ų | 213 | 150 Ų | 150 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 116.8 | 173.6 | -140.3 | 176.2 | -173.1 | 179.9 | 0 | 107.9 | ||
| 407 | V | 33.3 | Very low | 35 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 134.3 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 408 | Q | 31.2 | Very low | 34.2 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 143.6 | -169.8 | -142.5 | 163.8 | -6.8 | 0 | 0 | 111.1 | ||
| 409 | F | 29.3 | Very low | 33.5 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 140.3 | -176.7 | -86.6 | -100.8 | 0 | 0 | 0 | 114 | ||
| 410 | I | 31.3 | Very low | 33.1 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -136.5 | 115.4 | 151.3 | -60.9 | 177.2 | 0 | 0 | 0 | 107.2 | ||||
| 411 | T | 32.7 | Very low | 32.9 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | trans | -91.2 | 147.4 | 163.6 | 36.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 412 | P | 33.7 | Very low | 32.6 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | -133.2 | 165.8 | 126.7 | 26.3 | -8.2 | 0 | 0 | 0 | 113 | |||||
| 413 | E | 31.3 | Very low | 32.4 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -68.1 | 157.6 | -160.8 | -60.3 | 169.8 | 138.5 | 0 | 0 | 116.5 | ||||
| 414 | G | 29.4 | Very low | 32.2 | Very low | 63 Ų | 63 | 145.1 Ų | 145.1 | 65% | 0.649 | 83% | 0.825 | S | S | * | * | 110.9 | 118.2 | 120.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 415 | S | 29.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | 69.4 | 149.3 | 149.2 | 72.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 416 | Q | 32 | Very low | 31.9 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | cis | -169.3 | 152.5 | -26.3 | -118.8 | 175.9 | -2.3 | 0 | 0 | 104 | ||||
| 417 | S | 30.7 | Very low | 32.1 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | 70.2 | 132.2 | 146.3 | 66.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 418 | A | 33.5 | Very low | 32 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | trans | 71.4 | 148 | 135 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 419 | S | 31.7 | Very low | 32.1 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | cis | 179.5 | 150.1 | -10 | 42.6 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 420 | E | 35.1 | Very low | 32.3 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | 39.7 | 114.1 | 148 | -62.3 | 176.2 | 164.3 | 0 | 0 | 120 | ||||
| 421 | T | 37.2 | Very low | 32.4 | Very low | 218 Ų | 218 | 135.1 Ų | 135.1 | 100% | 1.337 | 83% | 0.827 | S | S | * | * | -179.5 | 0 | 101.3 | 26.4 | 0 | 0 | 0 | 0 | 111.2 |
Retrieved 421 of 421 residues in 115.6 ms
(Link to these results)