| 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 | Very low | 36.7 | Very low | 254 Ų | 254 | 135.7 Ų | 135.7 | 100% | 1.251 | 85% | 0.85 | S | S | * | * | 0 | 124.2 | 0 | -54.6 | 173.5 | -174.6 | 0 | 0 | 106.5 | |||||
| 2 | G | 35.4 | Very low | 37.2 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | cis | 169.1 | 119.2 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | H | 34.1 | Very low | 38.1 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | trans | 74.1 | 151.3 | 159.4 | -80.3 | -71.9 | 0 | 0 | 0 | 120.1 | ||||
| 4 | P | 41.3 | Very low | 39.9 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | -146.4 | -172.2 | -120.5 | 39.3 | -15.4 | 0 | 0 | 0 | 117.7 | |||||
| 5 | S | 34.8 | Very low | 41.7 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | 59.8 | 110.7 | 140.4 | 64.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 6 | S | 39.4 | Very low | 44 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 90% | 0.895 | 72% | 0.72 | S | S | * | * | trans | 153.4 | 125.9 | 130.4 | 61.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | G | 31.6 | Very low | 45.7 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | cis | 147.2 | 86.6 | 17.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 8 | A | 38.2 | Very low | 47.1 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | trans | -135.8 | 124.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 9 | L | 39.3 | Very low | 48.8 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 94% | 0.937 | 70% | 0.704 | S | S | * | * | trans | -75.8 | 146.1 | -175.8 | -76.4 | 156.7 | 0 | 0 | 0 | 111.1 | F11 | L9-F11 PolarHBondContact O-N 2.65Š| ||
| 10 | A | 33.9 | Very low | 50.7 | Low | 93 Ų | 93 | 120.9 Ų | 120.9 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | trans | -77.8 | 121.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 11 | F | 36.7 | Very low | 52.4 | Low | 195 Ų | 195 | 115.4 Ų | 115.4 | 86% | 0.855 | 64% | 0.642 | S | S | * | * | trans | -106.2 | 87.6 | 149.9 | -103.8 | -91.3 | 0 | 0 | 0 | 106.8 | L9 W13 | L9-F11 PolarHBondContact O-N 2.65Å; F11-W13 PolarHBondContact O-N 2.94Å | ||
| 12 | E | 43.3 | Very low | 54.7 | Low | 144 Ų | 144 | 108.6 Ų | 108.6 | 67% | 0.673 | 60% | 0.603 | S | S | * | * | trans | -78.7 | 105.2 | 173 | -163.3 | 172 | 173.6 | 0 | 0 | 107.8 | D14 R264 | E12-D14 PolarHBondContact O-N 2.84Å; E12-R264 IonicContact OE1-CZ 3.41Å; E12-R264 IonicContact OE1-NH1 3.88Å; E12-R264 IonicContact OE1-NH2 2.85Å; E12-R264 PolarHBondContact OE1-NH2 2.85Å | ||
| 13 | W | 48.9 | Very low | 57.1 | Low | 190 Ų | 190 | 105.9 Ų | 105.9 | 72% | 0.72 | 57% | 0.573 | S | S | * | * | trans | -60.9 | 130.7 | -178.9 | -76.7 | 20.4 | 0 | 0 | 0 | 110.1 | F11 I15 | F11-W13 PolarHBondContact O-N 2.94Å; W13-I15 PolarHBondContact O-N 3.3Å | ||
| 14 | D | 63.1 | Low | 59.4 | Low | 72 Ų | 72 | 100.6 Ų | 100.6 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | trans | -74.4 | 94 | 177.9 | -179.4 | 8.1 | 0 | 0 | 0 | 110 | E12 C16 K17 | E12-D14 PolarHBondContact O-N 2.84Å; D14-C16 PolarHBondContact O-N 3.1Å; D14-C16 VanDerWaalsContact O-N 3.08Å; D14-C16 PolarHBondContact OD1-N 2.92Å; D14-K17 HydrophobicContact CB-CD 4.1Å; D14-K17 HydrophobicContact CB-CG 4.04Å; D14-K17 PolarHBondContact O-N 3.09Å; D14-K17 VanDerWaalsContact OD2-CE 3.31Å; D14-K17 WeakPolarHBondContact OD2-CE 3.3Å; D14-K17 WeakPolarHBondContact OD2-CG 3.44Å | ||
| 15 | I | 67.2 | Low | 61.6 | Low | 72 Ų | 72 | 99.4 Ų | 99.4 | 37% | 0.369 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -55.6 | -26 | -175.4 | -70 | 172.5 | 0 | 0 | 0 | 113 | W13 K17 R19 | W13-I15 PolarHBondContact O-N 3.3Å; I15-K17 VanDerWaalsContact C-N 3.31Å; I15-K17 PolarHBondContact O-N 3.4Å; I15-R19 HydrophobicContact CG2-CG 4.34Å; I15-R19 VanDerWaalsContact O-CG 3.3Å; I15-R19 WeakPolarHBondContact O-CG 3.49Å |
| 16 | C | 78.5 | Confident | 64 | Low | 3 Ų | 3 | 95.6 Ų | 95.6 | 2% | 0.02 | 53% | 0.53 | C | S | . | . | G | 310 helix | trans | -67.9 | -28.7 | 177.8 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | D14 E18 R19 C21 T294 H295 | D14-C16 PolarHBondContact O-N 3.1Å; D14-C16 VanDerWaalsContact O-N 3.08Å; D14-C16 PolarHBondContact OD1-N 2.92Å; C16-E18 PolarHBondContact O-N 3.02Å; C16-E18 VanDerWaalsContact O-N 3.11Å; C16-R19 PolarHBondContact O-N 2.69Å; C16-C21 HydrophobicContact CB-CB 3.97Å; C16-C21 WeakPolarHBondContact CB-SG 3.35Å; C16-C21 WeakPolarHBondContact SG-CB 3.32Å; C16-C21 CovalentContact SG-SG 2.04Å; C16-C21 PolarHBondContact SG-SG 3.01Å; C16-T294 HydrophobicContact CB-CG2 4.38Å; C16-H295 WeakPolarHBondContact CA-NE2 3.45Å; C16-H295 CovalentContact O-NE2 1.75Å; C16-H295 PolarHBondContact O-NE2 3.06Å |
| 17 | K | 72.7 | Confident | 66.4 | Low | 161 Ų | 161 | 90.3 Ų | 90.3 | 70% | 0.7 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -62.2 | -26 | -170.3 | -69.5 | -171.4 | 176.6 | -170.6 | 0 | 115.3 | D14 I15 | D14-K17 HydrophobicContact CB-CD 4.1Å; D14-K17 HydrophobicContact CB-CG 4.04Å; D14-K17 PolarHBondContact O-N 3.09Å; D14-K17 VanDerWaalsContact OD2-CE 3.31Å; D14-K17 WeakPolarHBondContact OD2-CE 3.3Å; D14-K17 WeakPolarHBondContact OD2-CG 3.44Å; I15-K17 VanDerWaalsContact C-N 3.31Å; I15-K17 PolarHBondContact O-N 3.4Å |
| 18 | E | 69.9 | Low | 69.3 | Low | 148 Ų | 148 | 86.3 Ų | 86.3 | 69% | 0.692 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -115.5 | -7.1 | -173.9 | -63.5 | -179.8 | 177.7 | 0 | 0 | 113.9 | C16 | C16-E18 PolarHBondContact O-N 3.02Å; C16-E18 VanDerWaalsContact O-N 3.11Å |
| 19 | R | 80.8 | Confident | 71.8 | Confident | 124 Ų | 124 | 81.5 Ų | 81.5 | 47% | 0.468 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -166.6 | 169.5 | -170.8 | 61.8 | 173.6 | -173.7 | -147.3 | -6.8 | 113.2 | I15 C16 H295 D319 | I15-R19 HydrophobicContact CG2-CG 4.34Å; I15-R19 VanDerWaalsContact O-CG 3.3Å; I15-R19 WeakPolarHBondContact O-CG 3.49Å; C16-R19 PolarHBondContact O-N 2.69Å; R19-H295 VanDerWaalsContact C-CE1 3.49Å; R19-H295 PolarHBondContact O-CE1 3.44Å; R19-H295 PolarHBondContact O-NE2 3.37Å; R19-D319 VanDerWaalsContact CB-O 3.3Å; R19-D319 WeakPolarHBondContact CB-O 3.42Å |
| 20 | S | 85.4 | Confident | 74.1 | Confident | 11 Ų | 11 | 74.2 Ų | 74.2 | 8% | 0.077 | 37% | 0.372 | C | S | . | . | trans | -55.3 | 139.4 | 169.2 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | Y22 H295 A317 D319 | S20-Y22 WeakPolarHBondContact OG-CE2 3.34Å; S20-H295 VanDerWaalsContact CA-CE1 3.44Å; S20-H295 WeakPolarHBondContact CA-CE1 3.46Å; S20-A317 WeakPolarHBondContact CB-O 3.49Å; S20-D319 WeakPolarHBondContact CB-O 3.31Å; S20-D319 PolarHBondContact N-O 2.71Å; S20-D319 WeakPolarHBondContact OG-CA 3.48Å; S20-D319 PolarHBondContact OG-N 2.88Å; S20-D319 PolarHBondContact OG-O 3.18Å | ||
| 21 | C | 87 | Confident | 76.4 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.034 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -135.5 | 139.8 | -178.8 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | C16 G261 A263 R264 | C16-C21 HydrophobicContact CB-CB 3.97Å; C16-C21 WeakPolarHBondContact CB-SG 3.35Å; C16-C21 WeakPolarHBondContact SG-CB 3.32Å; C16-C21 CovalentContact SG-SG 2.04Å; C16-C21 PolarHBondContact SG-SG 3.01Å; C21-G261 PolarHBondContact N-O 2.63Å; C21-G261 CarbonylContact O-C 3.57Å; C21-G261 VanDerWaalsContact O-CA 3.24Å; C21-G261 WeakPolarHBondContact O-CA 3.49Å; C21-G261 VanDerWaalsContact O-O 3.07Å; C21-A263 CarbonylContact C-O 3.54Å; C21-A263 CarbonylContact O-C 3.43Å; C21-A263 PolarHBondContact O-N 3.29Å; C21-A263 VanDerWaalsContact O-O 3.11Å; C21-R264 HydrophobicContact CB-CB 4.32Å |
| 22 | Y | 86.9 | Confident | 78.8 | Confident | 111 Ų | 111 | 61.4 Ų | 61.4 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | trans | -130.9 | 143.6 | -167.4 | -60.5 | -97.4 | 0 | 0 | 0 | 111.2 | S20 Y206 A263 A317 | S20-Y22 WeakPolarHBondContact OG-CE2 3.34Å; Y22-Y206 WeakPolarHBondContact CE1-OH 3.44Å; Y22-Y206 PolarHBondContact OH-OH 2.87Å; Y22-A263 CarbonylContact C-O 3.48Å; Y22-A263 WeakPolarHBondContact CA-O 3.13Å; Y22-A317 PolarHBondContact OH-O 3.18Å | ||
| 23 | P | 86.9 | Confident | 80.9 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 150.9 | 173.1 | -20.6 | 34 | 0 | 0 | 0 | 112.8 | C257 C259 A263 R264 | P23-C257 HydrophobicContact CB-CB 4.01Å; P23-C257 HydrophobicContact CG-CB 3.95Å; P23-C259 HydrophobicContact CG-CB 4.16Å; P23-C259 WeakPolarHBondContact CG-SG 3.49Å; P23-A263 VanDerWaalsContact CD-O 3.22Å; P23-A263 WeakPolarHBondContact CD-O 3.18Å; P23-R264 WeakPolarHBondContact CA-O 3.49Å |
| 24 | A | 82.5 | Confident | 82.6 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 65% | 0.653 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 137.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 25 | T | 85.8 | Confident | 83.8 | Confident | 75 Ų | 75 | 51 Ų | 51 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 137.5 | 173.7 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | G255 | T25-G255 CarbonylContact C-O 3.47Å; T25-G255 WeakPolarHBondContact CA-O 3.48Å |
| 26 | G | 86.7 | Confident | 85 | Confident | 19 Ų | 19 | 48 Ų | 48 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | -169.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R254 G255 | G26-R254 WeakPolarHBondContact O-CA 3.24Å; G26-R254 WeakPolarHBondContact O-CG 3.45Å; G26-G255 PolarHBondContact N-O 3.23Å; G26-G255 PolarHBondContact O-N 3.42Å |
| 27 | N | 89.5 | Confident | 85.7 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 110.4 | 174.6 | -177.4 | 10.7 | 0 | 0 | 0 | 109.2 | L29 I30 V252 V253 | N27-L29 PolarHBondContact O-N 3.13Å; N27-L29 PolarHBondContact OD1-N 2.93Å; N27-I30 HydrophobicContact CB-CD1 3.97Å; N27-I30 HydrophobicContact CB-CG1 4.08Å; N27-I30 PolarHBondContact O-N 3.01Å; N27-V252 HydrophobicContact CB-CG1 4.24Å; N27-V253 CarbonylContact C-O 3.44Å; N27-V253 WeakPolarHBondContact CA-O 3.49Å; N27-V253 PolarHBondContact OD1-N 2.93Å; N27-V253 PolarHBondContact OD1-O 3.34Å |
| 28 | L | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.9 | -175.9 | -56.6 | -174.1 | 0 | 0 | 0 | 113 | I30 R32 L113 F117 V253 V287 | L28-I30 VanDerWaalsContact C-N 3.34Å; L28-R32 VanDerWaalsContact O-CD 3.26Å; L28-R32 WeakPolarHBondContact O-CD 3.26Å; L28-R32 PolarHBondContact O-NH1 3.44Å; L28-L113 HydrophobicContact CB-CD2 4.34Å; L28-L113 HydrophobicContact CD1-CD1 4.09Å; L28-F117 HydrophobicContact CD1-CB 3.78Å; L28-F117 HydrophobicContact CD1-CD1 4.2Å; L28-F117 HydrophobicContact CD1-CG 4.07Å; L28-F117 HydrophobicContact CD2-CD1 3.55Å; L28-F117 HydrophobicContact CD2-CE1 4.02Å; L28-F117 HydrophobicContact CD2-CG 4.26Å; L28-V253 HydrophobicContact CB-CB 4.43Å; L28-V253 HydrophobicContact CB-CG1 4.13Å; L28-V253 HydrophobicContact CD1-CG1 4.14Å; L28-V253 HydrophobicContact CG-CG1 4.35Å; L28-V253 PolarHBondContact N-O 3.29Å; L28-V287 HydrophobicContact CD2-CB 3.9Å; L28-V287 HydrophobicContact CD2-CG1 4Å; L28-V287 HydrophobicContact CD2-CG2 4.17Å |
| 29 | L | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.9 | 175 | -70.5 | 169.2 | 0 | 0 | 0 | 114.4 | N27 G31 R32 L36 V86 L111 M251 V253 | N27-L29 PolarHBondContact O-N 3.13Å; N27-L29 PolarHBondContact OD1-N 2.93Å; L29-G31 PolarHBondContact O-N 3.41Å; L29-R32 PolarHBondContact O-N 3.48Å; L29-R32 VanDerWaalsContact O-N 3.08Å; L29-L36 HydrophobicContact CD2-CD1 3.81Å; L29-L36 HydrophobicContact CD2-CD2 4.1Å; L29-L36 HydrophobicContact CD2-CG 4.41Å; L29-V86 HydrophobicContact CB-CG1 4.1Å; L29-V86 HydrophobicContact CB-CG2 3.9Å; L29-V86 HydrophobicContact CD1-CG2 4.5Å; L29-L111 HydrophobicContact CD2-CD1 3.88Å; L29-L111 HydrophobicContact CD2-CD2 3.71Å; L29-L111 HydrophobicContact CD2-CG 4.29Å; L29-L111 HydrophobicContact CG-CD2 4.31Å; L29-M251 HydrophobicContact CD1-CB 3.85Å; L29-M251 HydrophobicContact CD1-CG 3.81Å; L29-M251 WeakPolarHBondContact CD1-O 3.47Å; L29-M251 HydrophobicContact CD1-SD 4.21Å; L29-V253 HydrophobicContact CD1-CB 4.37Å; L29-V253 HydrophobicContact CD1-CG2 3.83Å; L29-V253 HydrophobicContact CD2-CG2 4.36Å; L29-V253 HydrophobicContact CG-CB 4.16Å; L29-V253 HydrophobicContact CG-CG2 3.88Å |
| 30 | I | 87.5 | Confident | 88.5 | Confident | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.138 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 122.8 | -178.9 | -63.5 | 176.1 | 0 | 0 | 0 | 109 | N27 L28 R32 V86 D285 M286 | N27-I30 HydrophobicContact CB-CD1 3.97Å; N27-I30 HydrophobicContact CB-CG1 4.08Å; N27-I30 PolarHBondContact O-N 3.01Å; L28-I30 VanDerWaalsContact C-N 3.34Å; I30-R32 VanDerWaalsContact C-N 3.25Å; I30-R32 PolarHBondContact O-N 2.92Å; I30-V86 HydrophobicContact CG1-CG1 4.4Å; I30-D285 HydrophobicContact CG2-CB 4.39Å; I30-M286 WeakPolarHBondContact O-CG 3.05Å |
| 31 | G | 82.3 | Confident | 89 | Confident | 17 Ų | 17 | 36 Ų | 36 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -10.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L29 E33 H34 | L29-G31 PolarHBondContact O-N 3.41Å; G31-E33 WeakPolarHBondContact CA-OE2 3.5Å; G31-E33 PolarHBondContact N-OE2 3.28Å; G31-H34 PolarHBondContact O-CE1 3.36Å; G31-H34 PolarHBondContact O-ND1 3.02Å |
| 32 | R | 88.1 | Confident | 89.3 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | trans | -111.4 | 20.2 | -178.9 | -60 | -171.4 | -174.2 | 71.7 | 8.8 | 113 | L28 L29 I30 H34 R35 L36 L111 E114 M286 V287 | L28-R32 VanDerWaalsContact O-CD 3.26Å; L28-R32 WeakPolarHBondContact O-CD 3.26Å; L28-R32 PolarHBondContact O-NH1 3.44Å; L29-R32 PolarHBondContact O-N 3.48Å; L29-R32 VanDerWaalsContact O-N 3.08Å; I30-R32 VanDerWaalsContact C-N 3.25Å; I30-R32 PolarHBondContact O-N 2.92Å; R32-H34 PolarHBondContact O-N 3.48Å; R32-H34 VanDerWaalsContact O-N 3.12Å; R32-R35 HydrophobicContact CB-CB 4.38Å; R32-R35 PolarHBondContact O-N 3.37Å; R32-L36 PolarHBondContact O-N 3.43Å; R32-L111 HydrophobicContact CB-CD1 4.21Å; R32-E114 IonicContact CZ-OE1 3.86Å; R32-E114 IonicContact CZ-OE2 3.28Å; R32-E114 IonicContact NE-OE1 3.45Å; R32-E114 IonicContact NE-OE2 2.71Å; R32-E114 PolarHBondContact NE-OE2 3.45Å; R32-E114 VanDerWaalsContact NH2-CD 3.35Å; R32-E114 IonicContact NH2-OE1 3.94Å; R32-E114 PolarHBondContact NH2-OE1 2.8Å; R32-E114 IonicContact NH2-OE2 3.08Å; R32-E114 PolarHBondContact NH2-OE2 3.22Å; R32-M286 HydrophobicContact CG-CE 4.39Å; R32-V287 PolarHBondContact NH1-O 3.03Å; R32-V287 VanDerWaalsContact NH1-O 3.14Å; R32-V287 PolarHBondContact NH2-O 3.41Å | ||
| 33 | E | 86.1 | Confident | 89.6 | Confident | 47 Ų | 47 | 30.4 Ų | 30.4 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -53.8 | -33.7 | 176 | -63.1 | 95.2 | 142.5 | 0 | 0 | 112.3 | G31 E83 V86 R283 | G31-E33 WeakPolarHBondContact CA-OE2 3.5Å; G31-E33 PolarHBondContact N-OE2 3.28Å; E33-E83 HydrophobicContact CB-CB 4.23Å; E33-V86 HydrophobicContact CG-CB 3.97Å; E33-V86 HydrophobicContact CG-CG1 4.13Å; E33-V86 HydrophobicContact CG-CG2 3.95Å; E33-R283 IonicContact OE1-CZ 3.6Å; E33-R283 IonicContact OE1-NH1 3.32Å; E33-R283 PolarHBondContact OE1-NH1 3.02Å; E33-R283 IonicContact OE1-NH2 2.7Å; E33-R283 PolarHBondContact OE1-NH2 2.73Å; E33-R283 IonicContact OE2-NH1 3.3Å |
| 34 | H | 85 | Confident | 89.8 | Confident | 82 Ų | 82 | 33.4 Ų | 33.4 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -77.3 | -17.1 | 178 | 69.1 | -84.3 | 0 | 0 | 0 | 114.2 | G31 R32 F274 | G31-H34 PolarHBondContact O-CE1 3.36Å; G31-H34 PolarHBondContact O-ND1 3.02Å; R32-H34 PolarHBondContact O-N 3.48Å; R32-H34 VanDerWaalsContact O-N 3.12Å; H34-F274 HydrophobicContact CB-CE1 4.22Å; H34-F274 HydrophobicContact CB-CE2 4.41Å; H34-F274 HydrophobicContact CB-CZ 3.97Å; H34-F274 AromaticContact CD2-CD1 4Å; H34-F274 AromaticContact CD2-CG 3.94Å; H34-F274 AromaticContact CE1-CD1 3.6Å; H34-F274 AromaticContact CG-CD1 4Å; H34-F274 AromaticContact CG-CE1 3.77Å; H34-F274 AromaticContact CG-CZ 3.93Å; H34-F274 AromaticContact ND1-CD1 3.75Å; H34-F274 AromaticContact ND1-CE1 3.65Å; H34-F274 AromaticContact NE2-CD1 3.78Å; H34-F274 AromaticContact NE2-CG 3.8Å |
| 35 | R | 89.1 | Confident | 90 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 22% | 0.219 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -99.2 | 3 | 176.2 | -51.8 | -167.9 | 171.9 | -137.6 | 2.1 | 113.1 | R32 D112 D272 | R32-R35 HydrophobicContact CB-CB 4.38Å; R32-R35 PolarHBondContact O-N 3.37Å; R35-D112 VanDerWaalsContact CB-O 3.23Å; R35-D112 WeakPolarHBondContact CB-O 3.47Å; R35-D112 WeakPolarHBondContact CD-O 3.45Å; R35-D112 PolarHBondContact O-N 2.93Å; R35-D272 IonicContact CZ-OD2 3.26Å; R35-D272 IonicContact NH2-OD1 3.24Å; R35-D272 PolarHBondContact NH2-OD1 3.13Å; R35-D272 IonicContact NH2-OD2 2.64Å; R35-D272 PolarHBondContact NH2-OD2 3.09Å |
| 36 | L | 91.6 | Very high | 90.2 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.3 | 174 | -168.9 | 69.3 | 0 | 0 | 0 | 109.4 | L29 R32 I82 V85 V86 V109 L111 | L29-L36 HydrophobicContact CD2-CD1 3.81Å; L29-L36 HydrophobicContact CD2-CD2 4.1Å; L29-L36 HydrophobicContact CD2-CG 4.41Å; R32-L36 PolarHBondContact O-N 3.43Å; L36-I82 HydrophobicContact CD2-CD1 4.27Å; L36-I82 HydrophobicContact CD2-CG1 3.73Å; L36-I82 HydrophobicContact CG-CG1 3.74Å; L36-I82 WeakPolarHBondContact O-CG2 3.37Å; L36-V85 HydrophobicContact CD2-CG2 3.5Å; L36-V85 VanDerWaalsContact CD2-CG2 3.5Å; L36-V86 HydrophobicContact CD2-CG2 4.36Å; L36-V109 HydrophobicContact CD1-CG1 3.87Å; L36-V109 HydrophobicContact CG-CG1 4.4Å; L36-L111 HydrophobicContact CD1-CB 3.96Å; L36-L111 HydrophobicContact CD1-CD1 4.37Å |
| 37 | S | 94.3 | Very high | 90.4 | Very high | 50 Ų | 50 | 38.5 Ų | 38.5 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.2 | -177.4 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | V109 R110 | S37-V109 CarbonylContact O-C 3.58Å; S37-V109 VanDerWaalsContact O-CA 3.29Å; S37-V109 WeakPolarHBondContact O-CA 3.49Å; S37-R110 PolarHBondContact N-O 3.43Å; S37-R110 PolarHBondContact O-N 3.13Å; S37-R110 PolarHBondContact OG-O 3.26Å |
| 38 | A | 94.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 22% | 0.223 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S40 I82 W98 S108 V109 | A38-S40 PolarHBondContact O-N 3.41Å; A38-I82 HydrophobicContact CB-CB 3.93Å; A38-I82 HydrophobicContact CB-CD1 3.92Å; A38-I82 HydrophobicContact CB-CG1 3.85Å; A38-W98 HydrophobicContact CB-CZ2 4.02Å; A38-S108 VanDerWaalsContact CA-O 3.31Å; A38-S108 WeakPolarHBondContact CA-O 3.49Å; A38-V109 HydrophobicContact CB-CG2 4.19Å |
| 39 | T | 94.6 | Very high | 90.3 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 61% | 0.613 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -74.5 | -10.1 | -178 | 46.7 | 0 | 0 | 0 | 0 | 114.2 | S108 | T39-S108 WeakPolarHBondContact CG2-OG 3.46Å; T39-S108 PolarHBondContact N-O 3.48Å; T39-S108 PolarHBondContact OG1-N 3Å; T39-S108 PolarHBondContact OG1-O 3.16Å; T39-S108 PolarHBondContact OG1-OG 2.99Å |
| 40 | S | 93.7 | Very high | 90.3 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | trans | -145.8 | 138.6 | 175.5 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | A38 W98 K101 L104 | A38-S40 PolarHBondContact O-N 3.41Å; S40-W98 VanDerWaalsContact O-CZ2 3.28Å; S40-W98 WeakPolarHBondContact O-CZ2 3.47Å; S40-W98 PolarHBondContact O-NE1 3.46Å; S40-W98 VanDerWaalsContact O-NE1 3.1Å; S40-K101 WeakPolarHBondContact OG-CB 3.5Å; S40-K101 PolarHBondContact OG-N 3.28Å; S40-L104 WeakPolarHBondContact OG-CD2 3.37Å | ||
| 41 | T | 95.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | trans | -150.5 | 133.7 | 174.8 | -65.1 | 0 | 0 | 0 | 0 | 108.4 | L44 H80 W98 Q99 K101 | T41-L44 HydrophobicContact CG2-CD1 4.29Å; T41-L44 HydrophobicContact CG2-CD2 4.18Å; T41-L44 HydrophobicContact CG2-CG 3.94Å; T41-H80 WeakPolarHBondContact CG2-O 3.23Å; T41-W98 PolarHBondContact OG1-NE1 2.96Å; T41-W98 VanDerWaalsContact OG1-NE1 3.16Å; T41-Q99 CarbonylContact C-O 3.55Å; T41-Q99 VanDerWaalsContact CA-O 3.28Å; T41-Q99 WeakPolarHBondContact CA-O 3.39Å; T41-K101 WeakPolarHBondContact O-CG 3.45Å | ||
| 42 | C | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 151.2 | 175.6 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | L44 D48 C65 S67 Q99 | C42-L44 VanDerWaalsContact C-N 3.31Å; C42-L44 PolarHBondContact O-N 3.3Å; C42-D48 WeakPolarHBondContact CA-OD2 3.49Å; C42-D48 HydrophobicContact CB-CB 4.27Å; C42-C65 HydrophobicContact CB-CB 3.84Å; C42-C65 WeakPolarHBondContact CB-SG 3.49Å; C42-C65 PolarHBondContact O-SG 3.49Å; C42-C65 WeakPolarHBondContact SG-CB 3.3Å; C42-C65 CovalentContact SG-SG 2.04Å; C42-C65 PolarHBondContact SG-SG 3.06Å; C42-S67 WeakPolarHBondContact O-CB 3.39Å; C42-S67 PolarHBondContact O-OG 3.02Å; C42-Q99 PolarHBondContact N-O 3.44Å |
| 43 | G | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 11.8 | 167 | 0 | 0 | 0 | 0 | 0 | 115.8 | H46 D48 S67 R68 | G43-H46 VanDerWaalsContact CA-O 3.28Å; G43-H46 WeakPolarHBondContact CA-O 3.47Å; G43-D48 PolarHBondContact N-OD2 3.5Å; G43-S67 CarbonylContact O-C 3.5Å; G43-S67 WeakPolarHBondContact O-CA 3.32Å; G43-S67 PolarHBondContact O-N 2.9Å; G43-R68 PolarHBondContact O-N 3.43Å |
| 44 | L | 90.9 | Very high | 88.7 | Confident | 75 Ų | 75 | 47 Ų | 47 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -73.4 | -41.3 | -179.6 | -75.9 | -178.2 | 0 | 0 | 0 | 113.2 | T41 C42 R68 | T41-L44 HydrophobicContact CG2-CD1 4.29Å; T41-L44 HydrophobicContact CG2-CD2 4.18Å; T41-L44 HydrophobicContact CG2-CG 3.94Å; C42-L44 VanDerWaalsContact C-N 3.31Å; C42-L44 PolarHBondContact O-N 3.3Å; L44-R68 WeakPolarHBondContact O-CG 3.31Å |
| 45 | D | 88 | Confident | 87.5 | Confident | 110 Ų | 110 | 46.7 Ų | 46.7 | 59% | 0.588 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -90.9 | -50.4 | -176.5 | -48.6 | -65.6 | 0 | 0 | 0 | 110.8 | K101 | D45-K101 IonicContact OD2-NZ 3.8Å; D45-K101 PolarHBondContact OD2-NZ 3.48Å |
| 46 | H | 89.7 | Confident | 85.8 | Confident | 117 Ų | 117 | 48 Ų | 48 | 54% | 0.542 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -144.1 | 158.3 | 177.3 | 56 | 26.9 | 0 | 0 | 0 | 109.7 | G43 D48 | G43-H46 VanDerWaalsContact CA-O 3.28Å; G43-H46 WeakPolarHBondContact CA-O 3.47Å; H46-D48 IonicContact CE1-OD1 3.81Å; H46-D48 PolarHBondContact CE1-OD1 2.85Å; H46-D48 IonicContact ND1-OD1 2.78Å; H46-D48 PolarHBondContact ND1-OD1 3.24Å; H46-D48 PolarHBondContact O-N 2.87Å |
| 47 | P | 90.3 | Very high | 84 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -62 | 120.7 | 178.7 | -24.4 | 35.6 | 0 | 0 | 0 | 112.8 | M64 C65 D66 | P47-M64 HydrophobicContact CB-CE 3.75Å; P47-M64 VanDerWaalsContact O-CE 3.3Å; P47-M64 WeakPolarHBondContact O-CE 3.27Å; P47-C65 CarbonylContact C-O 3.52Å; P47-C65 WeakPolarHBondContact CA-O 3.49Å; P47-D66 HydrophobicContact CB-CB 4.3Å; P47-D66 HydrophobicContact CG-CB 4.32Å |
| 48 | D | 89.4 | Confident | 81.8 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 142.4 | 179.4 | -67.8 | -29.7 | 0 | 0 | 0 | 110.5 | C42 G43 H46 M64 C65 | C42-D48 WeakPolarHBondContact CA-OD2 3.49Å; C42-D48 HydrophobicContact CB-CB 4.27Å; G43-D48 PolarHBondContact N-OD2 3.5Å; H46-D48 IonicContact CE1-OD1 3.81Å; H46-D48 PolarHBondContact CE1-OD1 2.85Å; H46-D48 IonicContact ND1-OD1 2.78Å; H46-D48 PolarHBondContact ND1-OD1 3.24Å; H46-D48 PolarHBondContact O-N 2.87Å; D48-M64 CarbonylContact O-C 3.54Å; D48-M64 WeakPolarHBondContact O-CA 3.46Å; D48-C65 PolarHBondContact N-O 3.24Å; D48-C65 PolarHBondContact O-N 2.88Å |
| 49 | R | 90.5 | Very high | 79.9 | Confident | 126 Ų | 126 | 67.9 Ų | 67.9 | 48% | 0.475 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138.9 | 174.6 | -175.7 | 175.3 | 139.5 | 173.4 | -13 | 110.5 | F63 M64 N102 E242 | R49-F63 WeakPolarHBondContact CA-O 3.37Å; R49-M64 HydrophobicContact CB-CE 4.26Å; R49-M64 HydrophobicContact CB-SD 3.74Å; R49-M64 HydrophobicContact CG-SD 4.04Å; R49-N102 PolarHBondContact O-ND2 3.33Å; R49-E242 VanDerWaalsContact CD-OE1 3.28Å; R49-E242 WeakPolarHBondContact CD-OE1 3.49Å; R49-E242 IonicContact CZ-OE1 2.72Å; R49-E242 IonicContact CZ-OE2 2.76Å; R49-E242 VanDerWaalsContact CZ-OE2 3.23Å; R49-E242 VanDerWaalsContact NE-CD 3.26Å; R49-E242 IonicContact NE-OE1 3.5Å; R49-E242 PolarHBondContact NE-OE1 3.36Å; R49-E242 IonicContact NE-OE2 3.84Å; R49-E242 PolarHBondContact NE-OE2 2.95Å; R49-E242 IonicContact NH2-OE1 3.74Å; R49-E242 IonicContact NH2-OE2 3.32Å; R49-E242 PolarHBondContact NH2-OE2 3.5Å |
| 50 | Y | 90.5 | Very high | 78.1 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 158.2 | 177.3 | 73.4 | -87.8 | 0 | 0 | 0 | 111.8 | I52 C62 F63 C65 H80 W97 Q99 Y245 | Y50-I52 HydrophobicContact CD2-CG1 4.47Å; Y50-I52 HydrophobicContact CE2-CD1 4.34Å; Y50-I52 HydrophobicContact CE2-CG1 4.09Å; Y50-C62 CarbonylContact O-C 3.44Å; Y50-C62 WeakPolarHBondContact O-CA 3.29Å; Y50-C62 WeakPolarHBondContact O-CB 3.32Å; Y50-F63 HydrophobicContact CD1-CB 4.37Å; Y50-F63 HydrophobicContact CE1-CB 3.69Å; Y50-F63 HydrophobicContact CE2-CB 4.1Å; Y50-F63 HydrophobicContact CE2-CD2 4.06Å; Y50-F63 HydrophobicContact CE2-CG 4.47Å; Y50-F63 PolarHBondContact N-O 3.33Å; Y50-F63 PolarHBondContact O-N 2.67Å; Y50-F63 WeakPolarHBondContact OH-CB 3.45Å; Y50-C65 HydrophobicContact CD1-CB 3.87Å; Y50-C65 HydrophobicContact CE1-CB 3.98Å; Y50-H80 AromaticContact CE1-NE2 3.91Å; Y50-W97 WeakPolarHBondContact OH-CZ2 3.25Å; Y50-Q99 VanDerWaalsContact CG-NE2 3.26Å; Y50-Y245 HydrophobicContact CD2-CE1 4.07Å; Y50-Y245 AromaticContact CD2-CZ 3.86Å; Y50-Y245 HydrophobicContact CG-CE1 4.46Å |
| 51 | C | 86.9 | Confident | 76.9 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 10% | 0.101 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.9 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | C62 E242 Y245 | C51-C62 HydrophobicContact CB-CB 4.04Å; C51-C62 WeakPolarHBondContact CB-SG 3.26Å; C51-C62 WeakPolarHBondContact SG-CB 3.45Å; C51-C62 CovalentContact SG-SG 2.04Å; C51-C62 PolarHBondContact SG-SG 2.79Å; C51-E242 PolarHBondContact N-O 3.15Å; C51-E242 PolarHBondContact SG-OE2 3.13Å; C51-Y245 PolarHBondContact O-OH 3.45Å |
| 52 | I | 83.5 | Confident | 76.4 | Confident | 30 Ų | 30 | 74 Ų | 74 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | trans | -98.9 | 119.6 | -177.6 | -59.6 | -179.4 | 0 | 0 | 0 | 110.8 | Y50 S54 H55 K61 F63 | Y50-I52 HydrophobicContact CD2-CG1 4.47Å; Y50-I52 HydrophobicContact CE2-CD1 4.34Å; Y50-I52 HydrophobicContact CE2-CG1 4.09Å; I52-S54 VanDerWaalsContact CG2-OG 3.31Å; I52-S54 WeakPolarHBondContact CG2-OG 3.49Å; I52-S54 PolarHBondContact O-N 3.35Å; I52-H55 PolarHBondContact O-N 3.04Å; I52-K61 PolarHBondContact N-O 3.46Å; I52-F63 HydrophobicContact CD1-CD2 4.07Å; I52-F63 HydrophobicContact CD1-CE2 3.66Å; I52-F63 HydrophobicContact CG1-CD2 4.24Å; I52-F63 HydrophobicContact CG1-CE2 4.04Å | ||
| 53 | V | 73.3 | Confident | 76.2 | Confident | 28 Ų | 28 | 78 Ų | 78 | 17% | 0.17 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -67 | -34.2 | -175.1 | -177.1 | 0 | 0 | 0 | 0 | 113.1 | H55 L56 F129 L229 K243 | V53-H55 PolarHBondContact O-N 2.99Å; V53-L56 HydrophobicContact CB-CD1 4.34Å; V53-L56 HydrophobicContact CG1-CD1 3.75Å; V53-L56 WeakPolarHBondContact O-CB 3.12Å; V53-L56 WeakPolarHBondContact O-CD1 3.29Å; V53-L56 WeakPolarHBondContact O-CG 3.25Å; V53-L56 PolarHBondContact O-N 3.35Å; V53-F129 HydrophobicContact CB-CE2 4.05Å; V53-F129 HydrophobicContact CB-CZ 4.19Å; V53-F129 HydrophobicContact CG1-CE2 4.04Å; V53-F129 HydrophobicContact CG1-CZ 3.9Å; V53-F129 HydrophobicContact CG2-CE2 4.14Å; V53-L229 HydrophobicContact CG1-CD1 3.78Å; V53-K243 HydrophobicContact CG2-CB 3.98Å; V53-K243 HydrophobicContact CG2-CG 4.5Å |
| 54 | S | 65.3 | Low | 76.2 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -70.5 | -7.3 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | I52 | I52-S54 VanDerWaalsContact CG2-OG 3.31Å; I52-S54 WeakPolarHBondContact CG2-OG 3.49Å; I52-S54 PolarHBondContact O-N 3.35Å |
| 55 | H | 61.1 | Low | 76.3 | Confident | 74 Ų | 74 | 77.5 Ų | 77.5 | 34% | 0.343 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -97.6 | 10.4 | 174.2 | -74.3 | -42 | 0 | 0 | 0 | 113.8 | I52 V53 E57 D58 K61 | I52-H55 PolarHBondContact O-N 3.04Å; V53-H55 PolarHBondContact O-N 2.99Å; H55-E57 VanDerWaalsContact C-N 3.28Å; H55-E57 PolarHBondContact O-N 3.24Å; H55-D58 PolarHBondContact O-N 2.96Å; H55-D58 VanDerWaalsContact O-N 3.13Å; H55-K61 HydrophobicContact CB-CB 4.08Å; H55-K61 HydrophobicContact CB-CD 4.14Å; H55-K61 HydrophobicContact CB-CG 4.45Å |
| 56 | L | 53.1 | Low | 76.5 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -7.1 | -174 | -71.9 | 173.5 | 0 | 0 | 0 | 115.8 | V53 D58 K60 | V53-L56 HydrophobicContact CB-CD1 4.34Å; V53-L56 HydrophobicContact CG1-CD1 3.75Å; V53-L56 WeakPolarHBondContact O-CB 3.12Å; V53-L56 WeakPolarHBondContact O-CD1 3.29Å; V53-L56 WeakPolarHBondContact O-CG 3.25Å; V53-L56 PolarHBondContact O-N 3.35Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 CarbonylContact C-O 3.58Å; L56-K60 HydrophobicContact CD2-CG 3.92Å |
| 57 | E | 52.8 | Low | 76.7 | Confident | 204 Ų | 204 | 68.8 Ų | 68.8 | 95% | 0.953 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23.2 | 167.3 | -64.2 | -174.8 | 162.2 | 0 | 0 | 112 | H55 | H55-E57 VanDerWaalsContact C-N 3.28Å; H55-E57 PolarHBondContact O-N 3.24Å |
| 58 | D | 48.7 | Very low | 76.7 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 52% | 0.524 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -101.6 | 164.2 | 168.2 | -86.6 | -35.6 | 0 | 0 | 0 | 110.9 | H55 L56 K60 K61 | H55-D58 PolarHBondContact O-N 2.96Å; H55-D58 VanDerWaalsContact O-N 3.13Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 CarbonylContact C-O 3.58Å; D58-K60 PolarHBondContact O-N 3.26Å; D58-K61 IonicContact OD2-NZ 2.69Å; D58-K61 PolarHBondContact OD2-NZ 2.87Å |
| 59 | K | 53.9 | Low | 76.8 | Confident | 201 Ų | 201 | 80.2 Ų | 80.2 | 87% | 0.874 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -50.8 | 113.2 | 173.2 | -72.3 | -179.5 | 178.3 | 176.7 | 0 | 111.4 | K61 | K59-K61 PolarHBondContact O-N 2.91Š|
| 60 | K | 56.6 | Low | 76.6 | Confident | 126 Ų | 126 | 77.7 Ų | 77.7 | 55% | 0.548 | 37% | 0.369 | S | S | . | . | trans | -13.3 | 93.3 | 178.5 | -67.8 | -172.7 | 179.6 | -175.5 | 0 | 114.1 | L56 D58 C62 | L56-K60 HydrophobicContact CD2-CG 3.92Å; D58-K60 PolarHBondContact O-N 3.26Å; K60-C62 PolarHBondContact O-N 2.87Å; K60-C62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | K | 69.4 | Low | 76.5 | Confident | 81 Ų | 81 | 78.7 Ų | 78.7 | 35% | 0.352 | 37% | 0.373 | S | S | . | . | trans | -78.6 | 98.5 | 175.7 | -70.7 | 173.4 | 179.6 | 156.2 | 0 | 109.5 | I52 H55 D58 K59 F63 | I52-K61 PolarHBondContact N-O 3.46Å; H55-K61 HydrophobicContact CB-CB 4.08Å; H55-K61 HydrophobicContact CB-CD 4.14Å; H55-K61 HydrophobicContact CB-CG 4.45Å; D58-K61 IonicContact OD2-NZ 2.69Å; D58-K61 PolarHBondContact OD2-NZ 2.87Å; K59-K61 PolarHBondContact O-N 2.91Å; K61-F63 HydrophobicContact CB-CE2 3.95Å; K61-F63 HydrophobicContact CB-CZ 3.99Å; K61-F63 WeakPolarHBondContact O-CE2 3.49Å | ||
| 62 | C | 84.5 | Confident | 76.3 | Confident | 39 Ų | 39 | 79.8 Ų | 79.8 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 150.5 | 173.4 | -52 | 0 | 0 | 0 | 0 | 110.6 | Y50 C51 K60 | Y50-C62 CarbonylContact O-C 3.44Å; Y50-C62 WeakPolarHBondContact O-CA 3.29Å; Y50-C62 WeakPolarHBondContact O-CB 3.32Å; C51-C62 HydrophobicContact CB-CB 4.04Å; C51-C62 WeakPolarHBondContact CB-SG 3.26Å; C51-C62 WeakPolarHBondContact SG-CB 3.45Å; C51-C62 CovalentContact SG-SG 2.04Å; C51-C62 PolarHBondContact SG-SG 2.79Å; K60-C62 PolarHBondContact O-N 2.87Å; K60-C62 VanDerWaalsContact O-N 3.16Å |
| 63 | F | 90 | Very high | 76.1 | Confident | 84 Ų | 84 | 85.3 Ų | 85.3 | 37% | 0.368 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 173.1 | -170.5 | -55 | -90.3 | 0 | 0 | 0 | 110.2 | R49 Y50 I52 K61 | R49-F63 WeakPolarHBondContact CA-O 3.37Å; Y50-F63 HydrophobicContact CD1-CB 4.37Å; Y50-F63 HydrophobicContact CE1-CB 3.69Å; Y50-F63 HydrophobicContact CE2-CB 4.1Å; Y50-F63 HydrophobicContact CE2-CD2 4.06Å; Y50-F63 HydrophobicContact CE2-CG 4.47Å; Y50-F63 PolarHBondContact N-O 3.33Å; Y50-F63 PolarHBondContact O-N 2.67Å; Y50-F63 WeakPolarHBondContact OH-CB 3.45Å; I52-F63 HydrophobicContact CD1-CD2 4.07Å; I52-F63 HydrophobicContact CD1-CE2 3.66Å; I52-F63 HydrophobicContact CG1-CD2 4.24Å; I52-F63 HydrophobicContact CG1-CE2 4.04Å; K61-F63 HydrophobicContact CB-CE2 3.95Å; K61-F63 HydrophobicContact CB-CZ 3.99Å; K61-F63 WeakPolarHBondContact O-CE2 3.49Å |
| 64 | M | 90.9 | Very high | 76.4 | Confident | 65 Ų | 65 | 92.7 Ų | 92.7 | 32% | 0.32 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.7 | 176.1 | -62.6 | -58.5 | -57.3 | 0 | 0 | 110 | P47 D48 R49 R78 | P47-M64 HydrophobicContact CB-CE 3.75Å; P47-M64 VanDerWaalsContact O-CE 3.3Å; P47-M64 WeakPolarHBondContact O-CE 3.27Å; D48-M64 CarbonylContact O-C 3.54Å; D48-M64 WeakPolarHBondContact O-CA 3.46Å; R49-M64 HydrophobicContact CB-CE 4.26Å; R49-M64 HydrophobicContact CB-SD 3.74Å; R49-M64 HydrophobicContact CG-SD 4.04Å; M64-R78 WeakPolarHBondContact O-CD 3.2Å; M64-R78 WeakPolarHBondContact O-CG 3.35Å |
| 65 | C | 93.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 95.6 Ų | 95.6 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.7 | 168.5 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | C42 P47 D48 Y50 S67 H80 | C42-C65 HydrophobicContact CB-CB 3.84Å; C42-C65 WeakPolarHBondContact CB-SG 3.49Å; C42-C65 PolarHBondContact O-SG 3.49Å; C42-C65 WeakPolarHBondContact SG-CB 3.3Å; C42-C65 CovalentContact SG-SG 2.04Å; C42-C65 PolarHBondContact SG-SG 3.06Å; P47-C65 CarbonylContact C-O 3.52Å; P47-C65 WeakPolarHBondContact CA-O 3.49Å; D48-C65 PolarHBondContact N-O 3.24Å; D48-C65 PolarHBondContact O-N 2.88Å; Y50-C65 HydrophobicContact CD1-CB 3.87Å; Y50-C65 HydrophobicContact CE1-CB 3.98Å; C65-S67 PolarHBondContact SG-OG 3.24Å; C65-H80 PolarHBondContact SG-CD2 2.79Å |
| 66 | D | 94 | Very high | 78.3 | Confident | 44 Ų | 44 | 93 Ų | 93 | 24% | 0.235 | 43% | 0.434 | C | S | . | . | trans | -138.1 | 89.3 | 178.1 | -171.7 | -4.9 | 0 | 0 | 0 | 109.4 | P47 R68 R78 S79 | P47-D66 HydrophobicContact CB-CB 4.3Å; P47-D66 HydrophobicContact CG-CB 4.32Å; D66-R68 IonicContact OD1-CZ 2.63Å; D66-R68 IonicContact OD1-NE 3.24Å; D66-R68 PolarHBondContact OD1-NE 2.71Å; D66-R68 IonicContact OD1-NH2 3.33Å; D66-R68 PolarHBondContact OD1-NH2 3.42Å; D66-R68 IonicContact OD2-CZ 3Å; D66-R68 IonicContact OD2-NE 3.88Å; D66-R68 IonicContact OD2-NH2 2.66Å; D66-R68 PolarHBondContact OD2-NH2 2.77Å; D66-R78 CarbonylContact C-O 3.56Å; D66-R78 HydrophobicContact CB-CB 4.18Å; D66-R78 PolarHBondContact N-O 3.33Å; D66-R78 CarbonylContact O-C 3.45Å; D66-S79 VanDerWaalsContact O-CA 3.32Å; D66-S79 WeakPolarHBondContact O-CA 3.3Å; D66-S79 PolarHBondContact O-N 3.5Å | ||
| 67 | S | 93.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 43% | 0.433 | C | S | . | . | trans | -95.7 | 12.8 | -175.3 | -55.7 | 0 | 0 | 0 | 0 | 113 | C42 G43 C65 R69 H80 R81 | C42-S67 WeakPolarHBondContact O-CB 3.39Å; C42-S67 PolarHBondContact O-OG 3.02Å; G43-S67 CarbonylContact O-C 3.5Å; G43-S67 WeakPolarHBondContact O-CA 3.32Å; G43-S67 PolarHBondContact O-N 2.9Å; C65-S67 PolarHBondContact SG-OG 3.24Å; S67-R69 PolarHBondContact O-N 2.82Å; S67-R69 VanDerWaalsContact O-N 3.15Å; S67-H80 PolarHBondContact OG-N 3.19Å; S67-R81 PolarHBondContact O-NE 3.11Å; S67-R81 PolarHBondContact O-NH2 3.05Å; S67-R81 VanDerWaalsContact O-NH2 3.15Å | ||
| 68 | R | 90.7 | Very high | 81.7 | Confident | 127 Ų | 127 | 90.9 Ų | 90.9 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -62.1 | -19.9 | 176.6 | -73.3 | 173.6 | -58.6 | 166.8 | 6.9 | 113.5 | G43 L44 D66 R81 | G43-R68 PolarHBondContact O-N 3.43Å; L44-R68 WeakPolarHBondContact O-CG 3.31Å; D66-R68 IonicContact OD1-CZ 2.63Å; D66-R68 IonicContact OD1-NE 3.24Å; D66-R68 PolarHBondContact OD1-NE 2.71Å; D66-R68 IonicContact OD1-NH2 3.33Å; D66-R68 PolarHBondContact OD1-NH2 3.42Å; D66-R68 IonicContact OD2-CZ 3Å; D66-R68 IonicContact OD2-NE 3.88Å; D66-R68 IonicContact OD2-NH2 2.66Å; D66-R68 PolarHBondContact OD2-NH2 2.77Å; R68-R81 PolarHBondContact O-NH2 3.45Å |
| 69 | R | 90.3 | Very high | 83.7 | Confident | 190 Ų | 190 | 86.2 Ų | 86.2 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -124.8 | 153.2 | 172.6 | -62.5 | -177.2 | 178 | -169.2 | -2.5 | 109.8 | S67 S79 | S67-R69 PolarHBondContact O-N 2.82Å; S67-R69 VanDerWaalsContact O-N 3.15Å; R69-S79 WeakPolarHBondContact O-CB 3.27Å; R69-S79 PolarHBondContact O-OG 3.27Å |
| 70 | P | 87.1 | Confident | 85.7 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | trans | -56.7 | 157.1 | 168.6 | -24.3 | 35 | 0 | 0 | 0 | 112.3 | A72 S76 | P70-A72 PolarHBondContact O-N 2.85Å; P70-S76 WeakPolarHBondContact O-CB 3.34Å; P70-S76 PolarHBondContact O-OG 2.96Å | ||
| 71 | W | 88.2 | Confident | 87.4 | Confident | 32 Ų | 32 | 73.9 Ų | 73.9 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | trans | -65.6 | 128.8 | 176.4 | -173.7 | 104 | 0 | 0 | 0 | 110.6 | R73 E77 N84 M92 R96 | W71-R73 HydrophobicContact CH2-CB 3.74Å; W71-R73 HydrophobicContact CH2-CG 4.18Å; W71-R73 HydrophobicContact CZ3-CB 4.03Å; W71-E77 HydrophobicContact CZ2-CG 4.42Å; W71-N84 VanDerWaalsContact CB-OD1 3.22Å; W71-N84 WeakPolarHBondContact CB-OD1 3.37Å; W71-M92 HydrophobicContact CH2-CE 3.55Å; W71-M92 HydrophobicContact CZ2-CE 4.42Å; W71-M92 HydrophobicContact CZ3-CE 3.68Å; W71-R96 HydrophobicContact CD2-CG 3.83Å; W71-R96 HydrophobicContact CE3-CG 4.21Å; W71-R96 HydrophobicContact CG-CG 4.13Å; W71-R96 HydrophobicContact CZ2-CG 4.3Å | ||
| 72 | A | 82.3 | Confident | 88.6 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | trans | -145.5 | 138.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P70 T75 S76 E77 | P70-A72 PolarHBondContact O-N 2.85Å; A72-T75 VanDerWaalsContact CB-OG1 3.28Å; A72-T75 WeakPolarHBondContact CB-OG1 3.41Å; A72-T75 PolarHBondContact O-N 3.28Å; A72-S76 PolarHBondContact N-OG 2.88Å; A72-S76 CarbonylContact O-C 3.59Å; A72-S76 PolarHBondContact O-N 3.41Å; A72-E77 PolarHBondContact O-N 2.94Å | ||
| 73 | R | 78.8 | Confident | 88.9 | Confident | 146 Ų | 146 | 71.5 Ų | 71.5 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 138.1 | -178.1 | -160.4 | 178.7 | 175.7 | 170.9 | -3.5 | 109.5 | W71 T75 | W71-R73 HydrophobicContact CH2-CB 3.74Å; W71-R73 HydrophobicContact CH2-CG 4.18Å; W71-R73 HydrophobicContact CZ3-CB 4.03Å; R73-T75 PolarHBondContact O-N 2.94Å |
| 74 | Y | 79.1 | Confident | 89 | Confident | 184 Ų | 184 | 68 Ų | 68 | 72% | 0.722 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -22.6 | -174.8 | -45.2 | -71.5 | 0 | 0 | 0 | 117.2 | E77 | Y74-E77 PolarHBondContact N-OE1 3.37Š|
| 75 | T | 83.3 | Confident | 89 | Confident | 115 Ų | 115 | 64.9 Ų | 64.9 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -32 | -174.9 | 59.1 | 0 | 0 | 0 | 0 | 115.5 | A72 R73 | A72-T75 VanDerWaalsContact CB-OG1 3.28Å; A72-T75 WeakPolarHBondContact CB-OG1 3.41Å; A72-T75 PolarHBondContact O-N 3.28Å; R73-T75 PolarHBondContact O-N 2.94Å |
| 76 | S | 85 | Confident | 88.8 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | trans | -151.6 | 40.2 | -172.5 | 44.4 | 0 | 0 | 0 | 0 | 112.5 | P70 A72 R78 S79 | P70-S76 WeakPolarHBondContact O-CB 3.34Å; P70-S76 PolarHBondContact O-OG 2.96Å; A72-S76 PolarHBondContact N-OG 2.88Å; A72-S76 CarbonylContact O-C 3.59Å; A72-S76 PolarHBondContact O-N 3.41Å; S76-R78 PolarHBondContact O-N 2.96Å; S76-S79 WeakPolarHBondContact O-CB 3.35Å; S76-S79 PolarHBondContact O-N 3.49Å | ||
| 77 | E | 86 | Confident | 87.9 | Confident | 95 Ų | 95 | 64 Ų | 64 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.7 | -179.9 | -59.3 | -173.6 | 166.1 | 0 | 0 | 114.3 | W71 A72 Y74 | W71-E77 HydrophobicContact CZ2-CG 4.42Å; A72-E77 PolarHBondContact O-N 2.94Å; Y74-E77 PolarHBondContact N-OE1 3.37Å |
| 78 | R | 89.7 | Confident | 86.6 | Confident | 153 Ų | 153 | 68 Ų | 68 | 58% | 0.577 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.6 | 174.7 | -65.1 | -179 | -178.8 | -173.9 | 0.4 | 114.1 | M64 D66 S76 H80 | M64-R78 WeakPolarHBondContact O-CD 3.2Å; M64-R78 WeakPolarHBondContact O-CG 3.35Å; D66-R78 CarbonylContact C-O 3.56Å; D66-R78 HydrophobicContact CB-CB 4.18Å; D66-R78 PolarHBondContact N-O 3.33Å; D66-R78 CarbonylContact O-C 3.45Å; S76-R78 PolarHBondContact O-N 2.96Å; R78-H80 PolarHBondContact O-CE1 3.43Å; R78-H80 PolarHBondContact O-NE2 3.45Å |
| 79 | S | 92.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -82.1 | 128.7 | 179 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | D66 R69 S76 N84 | D66-S79 VanDerWaalsContact O-CA 3.32Å; D66-S79 WeakPolarHBondContact O-CA 3.3Å; D66-S79 PolarHBondContact O-N 3.5Å; R69-S79 WeakPolarHBondContact O-CB 3.27Å; R69-S79 PolarHBondContact O-OG 3.27Å; S76-S79 WeakPolarHBondContact O-CB 3.35Å; S76-S79 PolarHBondContact O-N 3.49Å; S79-N84 PolarHBondContact O-ND2 2.9Å | ||
| 80 | H | 94 | Very high | 84.4 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | trans | -126.5 | 40.5 | -175.2 | -52.8 | -28.5 | 0 | 0 | 0 | 111.8 | T41 Y50 C65 S67 R78 N84 W97 W98 Q99 | T41-H80 WeakPolarHBondContact CG2-O 3.23Å; Y50-H80 AromaticContact CE1-NE2 3.91Å; C65-H80 PolarHBondContact SG-CD2 2.79Å; S67-H80 PolarHBondContact OG-N 3.19Å; R78-H80 PolarHBondContact O-CE1 3.43Å; R78-H80 PolarHBondContact O-NE2 3.45Å; H80-N84 WeakPolarHBondContact CA-ND2 3.26Å; H80-W97 VanDerWaalsContact CA-O 3.3Å; H80-W97 WeakPolarHBondContact CA-O 3.33Å; H80-W97 AromaticContact CD2-CE2 3.84Å; H80-W97 AromaticContact CD2-CZ2 3.85Å; H80-W97 AromaticContact CD2-NE1 3.58Å; H80-W97 AromaticContact CE1-CE2 3.47Å; H80-W97 VanDerWaalsContact CE1-CE2 3.47Å; H80-W97 AromaticContact CE1-CH2 3.54Å; H80-W97 AromaticContact CE1-CZ2 3.11Å; H80-W97 WeakPolarHBondContact CE1-CZ2 3.09Å; H80-W97 AromaticContact CE1-NE1 3.98Å; H80-W97 AromaticContact CG-CE2 3.8Å; H80-W97 AromaticContact CG-NE1 3.52Å; H80-W97 AromaticContact ND1-CE2 3.53Å; H80-W97 AromaticContact ND1-CZ2 3.69Å; H80-W97 AromaticContact ND1-NE1 3.74Å; H80-W97 AromaticContact NE2-CE2 3.66Å; H80-W97 AromaticContact NE2-CH2 3.97Å; H80-W97 AromaticContact NE2-CZ2 3.2Å; H80-W97 WeakPolarHBondContact NE2-CZ2 3.05Å; H80-W97 AromaticContact NE2-NE1 3.9Å; H80-W98 WeakPolarHBondContact O-CA 3.42Å; H80-Q99 HydrophobicContact CB-CB 3.83Å; H80-Q99 PolarHBondContact O-N 2.81Å | ||
| 81 | R | 93.8 | Very high | 83.5 | Confident | 65 Ų | 65 | 72.8 Ų | 72.8 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | trans | -68.5 | 166.3 | 176.9 | -61.6 | -177.9 | 168.7 | -148.7 | -9.7 | 113.3 | S67 R68 E83 N84 W98 | S67-R81 PolarHBondContact O-NE 3.11Å; S67-R81 PolarHBondContact O-NH2 3.05Å; S67-R81 VanDerWaalsContact O-NH2 3.15Å; R68-R81 PolarHBondContact O-NH2 3.45Å; R81-E83 VanDerWaalsContact CB-CD 3.49Å; R81-E83 HydrophobicContact CB-CG 4.4Å; R81-E83 WeakPolarHBondContact CB-OE2 3.34Å; R81-E83 WeakPolarHBondContact CD-OE1 3.07Å; R81-E83 IonicContact NH1-OE1 3.56Å; R81-E83 PolarHBondContact O-N 2.04Å; R81-N84 PolarHBondContact N-ND2 3.16Å; R81-N84 VanDerWaalsContact O-CB 3.27Å; R81-N84 WeakPolarHBondContact O-CB 3.21Å; R81-N84 PolarHBondContact O-N 3.35Å; R81-W98 WeakPolarHBondContact O-CB 3.39Å | ||
| 82 | I | 94 | Very high | 82.5 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -67.9 | -32.4 | -175 | -167.5 | 59.3 | 0 | 0 | 0 | 113.1 | L36 A38 N84 V85 W98 V109 | L36-I82 HydrophobicContact CD2-CD1 4.27Å; L36-I82 HydrophobicContact CD2-CG1 3.73Å; L36-I82 HydrophobicContact CG-CG1 3.74Å; L36-I82 WeakPolarHBondContact O-CG2 3.37Å; A38-I82 HydrophobicContact CB-CB 3.93Å; A38-I82 HydrophobicContact CB-CD1 3.92Å; A38-I82 HydrophobicContact CB-CG1 3.85Å; I82-N84 PolarHBondContact O-N 2.77Å; I82-V85 HydrophobicContact CD1-CG1 4.28Å; I82-V85 WeakPolarHBondContact O-CG2 3.3Å; I82-V85 PolarHBondContact O-N 2.74Å; I82-W98 HydrophobicContact CB-CG 4.38Å; I82-W98 HydrophobicContact CD1-CB 3.97Å; I82-W98 HydrophobicContact CD1-CD2 3.76Å; I82-W98 HydrophobicContact CD1-CE3 4.37Å; I82-W98 HydrophobicContact CD1-CG 3.54Å; I82-V109 HydrophobicContact CD1-CG1 3.91Å; I82-V109 HydrophobicContact CD1-CG2 4.04Å; I82-V109 HydrophobicContact CG1-CG1 4.31Å |
| 83 | E | 91.1 | Very high | 82 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -58.7 | -18.8 | 176.5 | 63.2 | -97.9 | -149.5 | 0 | 0 | 113.8 | E33 R81 V85 V86 | E33-E83 HydrophobicContact CB-CB 4.23Å; R81-E83 VanDerWaalsContact CB-CD 3.49Å; R81-E83 HydrophobicContact CB-CG 4.4Å; R81-E83 WeakPolarHBondContact CB-OE2 3.34Å; R81-E83 WeakPolarHBondContact CD-OE1 3.07Å; R81-E83 IonicContact NH1-OE1 3.56Å; R81-E83 PolarHBondContact O-N 2.04Å; E83-V85 VanDerWaalsContact C-N 3.27Å; E83-V85 PolarHBondContact O-N 2.78Å; E83-V86 PolarHBondContact O-N 2.94Å |
| 84 | N | 91.2 | Very high | 81.6 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -68.3 | -16.3 | 180 | -75.7 | -19.1 | 0 | 0 | 0 | 115.1 | W71 S79 H80 R81 I82 V86 R96 W97 | W71-N84 VanDerWaalsContact CB-OD1 3.22Å; W71-N84 WeakPolarHBondContact CB-OD1 3.37Å; S79-N84 PolarHBondContact O-ND2 2.9Å; H80-N84 WeakPolarHBondContact CA-ND2 3.26Å; R81-N84 PolarHBondContact N-ND2 3.16Å; R81-N84 VanDerWaalsContact O-CB 3.27Å; R81-N84 WeakPolarHBondContact O-CB 3.21Å; R81-N84 PolarHBondContact O-N 3.35Å; I82-N84 PolarHBondContact O-N 2.77Å; N84-V86 VanDerWaalsContact C-N 3.27Å; N84-V86 PolarHBondContact O-N 2.94Å; N84-R96 HydrophobicContact CB-CB 4.06Å; N84-W97 VanDerWaalsContact CB-O 3.31Å; N84-W97 WeakPolarHBondContact CB-O 3.35Å; N84-W97 PolarHBondContact ND2-O 3.27Å |
| 85 | V | 92.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -78.3 | -12.1 | -178.3 | -52 | 0 | 0 | 0 | 0 | 113.2 | L36 I82 E83 W98 I248 E250 M251 | L36-V85 HydrophobicContact CD2-CG2 3.5Å; L36-V85 VanDerWaalsContact CD2-CG2 3.5Å; I82-V85 HydrophobicContact CD1-CG1 4.28Å; I82-V85 WeakPolarHBondContact O-CG2 3.3Å; I82-V85 PolarHBondContact O-N 2.74Å; E83-V85 VanDerWaalsContact C-N 3.27Å; E83-V85 PolarHBondContact O-N 2.78Å; V85-W98 HydrophobicContact CG1-CB 3.48Å; V85-W98 VanDerWaalsContact CG1-CB 3.48Å; V85-I248 HydrophobicContact CB-CG2 4.36Å; V85-I248 HydrophobicContact CG1-CB 4.05Å; V85-I248 HydrophobicContact CG1-CG2 3.94Å; V85-E250 WeakPolarHBondContact O-CA 3.49Å; V85-M251 HydrophobicContact CB-CB 4.04Å; V85-M251 HydrophobicContact CG2-CB 3.75Å; V85-M251 PolarHBondContact O-N 2.57Å |
| 86 | V | 88.4 | Confident | 81.8 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | trans | -86.8 | 112.2 | 179.4 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | L29 I30 E33 L36 E83 N84 | L29-V86 HydrophobicContact CB-CG1 4.1Å; L29-V86 HydrophobicContact CB-CG2 3.9Å; L29-V86 HydrophobicContact CD1-CG2 4.5Å; I30-V86 HydrophobicContact CG1-CG1 4.4Å; E33-V86 HydrophobicContact CG-CB 3.97Å; E33-V86 HydrophobicContact CG-CG1 4.13Å; E33-V86 HydrophobicContact CG-CG2 3.95Å; L36-V86 HydrophobicContact CD2-CG2 4.36Å; E83-V86 PolarHBondContact O-N 2.94Å; N84-V86 VanDerWaalsContact C-N 3.27Å; N84-V86 PolarHBondContact O-N 2.94Å | ||
| 87 | S | 74.2 | Confident | 82.1 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | trans | -93.5 | 121.9 | 179.9 | 97.9 | 0 | 0 | 0 | 0 | 111.5 | R93 E250 | S87-R93 PolarHBondContact OG-NE 3.18Å; S87-E250 WeakPolarHBondContact CB-OE1 3.31Å; S87-E250 PolarHBondContact OG-OE1 2.86Å | ||
| 88 | D | 66.5 | Low | 82.6 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -93.7 | -25.6 | 176.1 | 57.3 | -13.8 | 0 | 0 | 0 | 112 | R96 | D88-R96 IonicContact OD1-NH1 3.65Å; D88-R96 IonicContact OD2-NH1 3.07Å |
| 89 | R | 68.7 | Low | 82.8 | Confident | 175 Ų | 175 | 54.1 Ų | 54.1 | 66% | 0.66 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -143.9 | 137.7 | -178.9 | -61.4 | -175.4 | -178.9 | -171.6 | -0.9 | 111.5 | E91 M92 | R89-E91 PolarHBondContact O-N 3.43Å; R89-E91 VanDerWaalsContact O-N 3.12Å; R89-M92 HydrophobicContact CB-CG 4.22Å; R89-M92 WeakPolarHBondContact O-CB 3.3Å; R89-M92 PolarHBondContact O-N 2.96Å |
| 90 | F | 66.2 | Low | 83 | Confident | 167 Ų | 167 | 54.1 Ų | 54.1 | 73% | 0.732 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -51.3 | -38.6 | 178.3 | -172.7 | -96 | 0 | 0 | 0 | 113.2 | M92 R93 | F90-M92 PolarHBondContact O-N 3.43Å; F90-R93 PolarHBondContact O-N 2.91Å |
| 91 | E | 67.9 | Low | 82.9 | Confident | 148 Ų | 148 | 57.6 Ų | 57.6 | 69% | 0.692 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -65.2 | -15 | 179.3 | -59.2 | -176.6 | 176.6 | 0 | 0 | 115.6 | R89 K95 | R89-E91 PolarHBondContact O-N 3.43Å; R89-E91 VanDerWaalsContact O-N 3.12Å; E91-K95 PolarHBondContact O-NZ 3.42Å |
| 92 | M | 68.4 | Low | 82.8 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -101.4 | -18.8 | -174.6 | -62.3 | -63.6 | -76 | 0 | 0 | 113 | W71 R89 F90 A94 K95 R96 | W71-M92 HydrophobicContact CH2-CE 3.55Å; W71-M92 HydrophobicContact CZ2-CE 4.42Å; W71-M92 HydrophobicContact CZ3-CE 3.68Å; R89-M92 HydrophobicContact CB-CG 4.22Å; R89-M92 WeakPolarHBondContact O-CB 3.3Å; R89-M92 PolarHBondContact O-N 2.96Å; F90-M92 PolarHBondContact O-N 3.43Å; M92-A94 VanDerWaalsContact C-N 3.26Å; M92-A94 PolarHBondContact O-N 3.41Å; M92-A94 VanDerWaalsContact O-N 3.11Å; M92-K95 PolarHBondContact O-N 2.8Å; M92-K95 HydrophobicContact SD-CD 4.42Å; M92-R96 VanDerWaalsContact CE-CZ 3.45Å; M92-R96 PolarHBondContact O-N 3.28Å |
| 93 | R | 70.5 | Confident | 82.4 | Confident | 98 Ų | 98 | 57 Ų | 57 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -37.7 | -174.9 | -73.1 | 178.6 | 165.7 | -165 | -20.2 | 115 | S87 F90 E250 | S87-R93 PolarHBondContact OG-NE 3.18Å; F90-R93 PolarHBondContact O-N 2.91Å; R93-E250 WeakPolarHBondContact CD-OE2 3.4Å; R93-E250 WeakPolarHBondContact CG-OE2 3.12Å; R93-E250 IonicContact CZ-OE1 3.3Å; R93-E250 VanDerWaalsContact CZ-OE1 3.22Å; R93-E250 IonicContact CZ-OE2 3.86Å; R93-E250 VanDerWaalsContact CZ-OE2 3.3Å; R93-E250 IonicContact NE-OE1 3.81Å; R93-E250 PolarHBondContact NE-OE1 2.99Å; R93-E250 IonicContact NE-OE2 3.23Å; R93-E250 PolarHBondContact NE-OE2 3.08Å; R93-E250 IonicContact NH1-OE2 3.63Å; R93-E250 IonicContact NH2-OE1 3.58Å; R93-E250 PolarHBondContact NH2-OE1 3.35Å; R93-E250 IonicContact NH2-OE2 3.11Å |
| 94 | A | 72 | Confident | 82.3 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -3.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M92 | M92-A94 VanDerWaalsContact C-N 3.26Å; M92-A94 PolarHBondContact O-N 3.41Å; M92-A94 VanDerWaalsContact O-N 3.11Å |
| 95 | K | 78.3 | Confident | 82.3 | Confident | 107 Ų | 107 | 60.9 Ų | 60.9 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -23.4 | -171.6 | -66.5 | 176.7 | -175.3 | 140.2 | 0 | 114.1 | E91 M92 | E91-K95 PolarHBondContact O-NZ 3.42Å; M92-K95 PolarHBondContact O-N 2.8Å; M92-K95 HydrophobicContact SD-CD 4.42Å |
| 96 | R | 87.8 | Confident | 82.4 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 21% | 0.211 | 32% | 0.322 | C | S | . | . | trans | -109.8 | 150.9 | 173.3 | -65.2 | 179.7 | 178.7 | 154.3 | -6.6 | 108.6 | W71 N84 D88 M92 | W71-R96 HydrophobicContact CD2-CG 3.83Å; W71-R96 HydrophobicContact CE3-CG 4.21Å; W71-R96 HydrophobicContact CG-CG 4.13Å; W71-R96 HydrophobicContact CZ2-CG 4.3Å; N84-R96 HydrophobicContact CB-CB 4.06Å; D88-R96 IonicContact OD1-NH1 3.65Å; D88-R96 IonicContact OD2-NH1 3.07Å; M92-R96 VanDerWaalsContact CE-CZ 3.45Å; M92-R96 PolarHBondContact O-N 3.28Å | ||
| 97 | W | 92.1 | Very high | 82.7 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | trans | -160.1 | 158.4 | 169.9 | 67.3 | 95.5 | 0 | 0 | 0 | 110 | Y50 H80 N84 K127 I248 Y249 | Y50-W97 WeakPolarHBondContact OH-CZ2 3.25Å; H80-W97 VanDerWaalsContact CA-O 3.3Å; H80-W97 WeakPolarHBondContact CA-O 3.33Å; H80-W97 AromaticContact CD2-CE2 3.84Å; H80-W97 AromaticContact CD2-CZ2 3.85Å; H80-W97 AromaticContact CD2-NE1 3.58Å; H80-W97 AromaticContact CE1-CE2 3.47Å; H80-W97 VanDerWaalsContact CE1-CE2 3.47Å; H80-W97 AromaticContact CE1-CH2 3.54Å; H80-W97 AromaticContact CE1-CZ2 3.11Å; H80-W97 WeakPolarHBondContact CE1-CZ2 3.09Å; H80-W97 AromaticContact CE1-NE1 3.98Å; H80-W97 AromaticContact CG-CE2 3.8Å; H80-W97 AromaticContact CG-NE1 3.52Å; H80-W97 AromaticContact ND1-CE2 3.53Å; H80-W97 AromaticContact ND1-CZ2 3.69Å; H80-W97 AromaticContact ND1-NE1 3.74Å; H80-W97 AromaticContact NE2-CE2 3.66Å; H80-W97 AromaticContact NE2-CH2 3.97Å; H80-W97 AromaticContact NE2-CZ2 3.2Å; H80-W97 WeakPolarHBondContact NE2-CZ2 3.05Å; H80-W97 AromaticContact NE2-NE1 3.9Å; N84-W97 VanDerWaalsContact CB-O 3.31Å; N84-W97 WeakPolarHBondContact CB-O 3.35Å; N84-W97 PolarHBondContact ND2-O 3.27Å; W97-K127 HydrophobicContact CB-CD 4.12Å; W97-K127 HydrophobicContact CD2-CD 3.38Å; W97-K127 VanDerWaalsContact CE2-CD 3.45Å; W97-K127 VanDerWaalsContact CE2-CE 3.42Å; W97-K127 HydrophobicContact CE3-CD 3.98Å; W97-K127 HydrophobicContact CG-CD 3.44Å; W97-K127 VanDerWaalsContact CG-CD 3.44Å; W97-K127 HydrophobicContact CZ2-CD 4.1Å; W97-I248 CarbonylContact C-O 3.53Å; W97-I248 WeakPolarHBondContact CA-O 3.18Å; W97-I248 WeakPolarHBondContact CB-O 3.36Å; W97-Y249 HydrophobicContact CB-CD1 4.12Å | ||
| 98 | W | 95.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.7 | 162.2 | 165.3 | 71.5 | 0 | 0 | 0 | 110.3 | A38 S40 T41 H80 R81 I82 V85 V107 V109 F223 A247 I248 | A38-W98 HydrophobicContact CB-CZ2 4.02Å; S40-W98 VanDerWaalsContact O-CZ2 3.28Å; S40-W98 WeakPolarHBondContact O-CZ2 3.47Å; S40-W98 PolarHBondContact O-NE1 3.46Å; S40-W98 VanDerWaalsContact O-NE1 3.1Å; T41-W98 PolarHBondContact OG1-NE1 2.96Å; T41-W98 VanDerWaalsContact OG1-NE1 3.16Å; H80-W98 WeakPolarHBondContact O-CA 3.42Å; R81-W98 WeakPolarHBondContact O-CB 3.39Å; I82-W98 HydrophobicContact CB-CG 4.38Å; I82-W98 HydrophobicContact CD1-CB 3.97Å; I82-W98 HydrophobicContact CD1-CD2 3.76Å; I82-W98 HydrophobicContact CD1-CE3 4.37Å; I82-W98 HydrophobicContact CD1-CG 3.54Å; V85-W98 HydrophobicContact CG1-CB 3.48Å; V85-W98 VanDerWaalsContact CG1-CB 3.48Å; W98-V107 HydrophobicContact CH2-CG1 3.65Å; W98-V107 HydrophobicContact CZ2-CG1 3.68Å; W98-V109 HydrophobicContact CH2-CG2 4.12Å; W98-V109 HydrophobicContact CZ2-CG2 4.37Å; W98-V109 HydrophobicContact CZ3-CG2 4.31Å; W98-F223 HydrophobicContact CH2-CD2 4.23Å; W98-F223 AromaticContact CH2-CE2 3.84Å; W98-F223 HydrophobicContact CH2-CE2 3.84Å; W98-F223 AromaticContact CZ3-CE2 3.81Å; W98-F223 HydrophobicContact CZ3-CE2 3.81Å; W98-A247 CarbonylContact O-C 3.6Å; W98-A247 WeakPolarHBondContact O-CA 3.13Å; W98-A247 WeakPolarHBondContact O-CB 3.01Å; W98-I248 HydrophobicContact CE3-CB 4.12Å; W98-I248 HydrophobicContact CE3-CD1 3.74Å; W98-I248 HydrophobicContact CE3-CG1 3.83Å; W98-I248 HydrophobicContact CZ3-CD1 3.69Å; W98-I248 HydrophobicContact CZ3-CG1 3.98Å; W98-I248 PolarHBondContact N-O 2.95Å; W98-I248 PolarHBondContact O-N 3.34Å |
| 99 | Q | 94.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 132 | 176 | 177.8 | 173.5 | -26.1 | 0 | 0 | 112.5 | T41 C42 Y50 H80 Y245 Y246 A247 | T41-Q99 CarbonylContact C-O 3.55Å; T41-Q99 VanDerWaalsContact CA-O 3.28Å; T41-Q99 WeakPolarHBondContact CA-O 3.39Å; C42-Q99 PolarHBondContact N-O 3.44Å; Y50-Q99 VanDerWaalsContact CG-NE2 3.26Å; H80-Q99 HydrophobicContact CB-CB 3.83Å; H80-Q99 PolarHBondContact O-N 2.81Å; Q99-Y245 HydrophobicContact CG-CD2 3.71Å; Q99-Y245 HydrophobicContact CG-CE2 4.23Å; Q99-Y245 HydrophobicContact CG-CG 4.18Å; Q99-Y246 CarbonylContact C-O 3.51Å; Q99-Y246 WeakPolarHBondContact CA-O 3.39Å; Q99-A247 HydrophobicContact CB-CB 4.07Å; Q99-A247 HydrophobicContact CG-CB 4.18Å |
| 100 | S | 95.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 166.8 | 176.1 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | Y246 | S100-Y246 PolarHBondContact N-O 2.82Å; S100-Y246 PolarHBondContact OG-N 3.15Å |
| 101 | K | 92.8 | Very high | 87.7 | Confident | 76 Ų | 76 | 52 Ų | 52 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 149.7 | 163.1 | -67.1 | -172 | 173.3 | -176.5 | 0 | 110.5 | S40 T41 D45 | S40-K101 WeakPolarHBondContact OG-CB 3.5Å; S40-K101 PolarHBondContact OG-N 3.28Å; T41-K101 WeakPolarHBondContact O-CG 3.45Å; D45-K101 IonicContact OD2-NZ 3.8Å; D45-K101 PolarHBondContact OD2-NZ 3.48Å |
| 102 | N | 90.3 | Very high | 88.8 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 145.3 | 179.5 | -67 | -16.2 | 0 | 0 | 0 | 112.2 | R49 L104 T241 Y244 | R49-N102 PolarHBondContact O-ND2 3.33Å; N102-L104 PolarHBondContact O-N 3.46Å; N102-T241 WeakPolarHBondContact CB-O 3.43Å; N102-Y244 CarbonylContact C-O 3.46Å |
| 103 | G | 85.9 | Confident | 89.9 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -10.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q105 Y244 | G103-Q105 PolarHBondContact O-N 3.15Å; G103-Y244 PolarHBondContact N-O 3.24Å |
| 104 | L | 90.2 | Very high | 90.5 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | trans | -79.8 | 112.3 | -173.1 | -171.1 | 67.5 | 0 | 0 | 0 | 111.5 | S40 N102 V107 Y246 | S40-L104 WeakPolarHBondContact OG-CD2 3.37Å; N102-L104 PolarHBondContact O-N 3.46Å; L104-V107 HydrophobicContact CB-CG2 4.3Å; L104-V107 HydrophobicContact CD2-CG2 3.79Å; L104-V107 HydrophobicContact CG-CG2 3.91Å; L104-Y246 WeakPolarHBondContact O-CE2 3.18Å | ||
| 105 | Q | 90.5 | Very high | 91.2 | Very high | 74 Ų | 74 | 39.1 Ų | 39.1 | 35% | 0.346 | 19% | 0.19 | S | C | . | . | trans | -78 | -42.5 | -179.4 | -69.2 | -174 | -30.7 | 0 | 0 | 113.7 | G103 V107 F223 L226 L233 Y246 | G103-Q105 PolarHBondContact O-N 3.15Å; Q105-V107 PolarHBondContact O-N 3.08Å; Q105-F223 CarbonylContact O-C 3.59Å; Q105-L226 HydrophobicContact CG-CB 4.36Å; Q105-L226 HydrophobicContact CG-CD1 4.16Å; Q105-L226 HydrophobicContact CG-CG 4.34Å; Q105-L233 HydrophobicContact CG-CD1 3.86Å; Q105-Y246 VanDerWaalsContact O-CE2 3.24Å; Q105-Y246 WeakPolarHBondContact O-CE2 3.04Å; Q105-Y246 PolarHBondContact O-OH 3.28Å | ||
| 106 | N | 93.9 | Very high | 91.7 | Very high | 118 Ų | 118 | 34.9 Ų | 34.9 | 63% | 0.631 | 17% | 0.171 | S | C | * | . | trans | -88.2 | 104.3 | -178.7 | -71 | -16.5 | 0 | 0 | 0 | 109.8 | F223 T224 | N106-F223 WeakPolarHBondContact CA-O 3.32Å; N106-T224 PolarHBondContact OD1-O 2.87Å | ||
| 107 | V | 95.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 137 | 179.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | W98 L104 Q105 F223 Y246 | W98-V107 HydrophobicContact CH2-CG1 3.65Å; W98-V107 HydrophobicContact CZ2-CG1 3.68Å; L104-V107 HydrophobicContact CB-CG2 4.3Å; L104-V107 HydrophobicContact CD2-CG2 3.79Å; L104-V107 HydrophobicContact CG-CG2 3.91Å; Q105-V107 PolarHBondContact O-N 3.08Å; V107-F223 HydrophobicContact CB-CD2 4.2Å; V107-F223 HydrophobicContact CG1-CD2 4.35Å; V107-F223 PolarHBondContact N-O 3.49Å; V107-F223 WeakPolarHBondContact O-CA 3.24Å; V107-F223 WeakPolarHBondContact O-CB 3.3Å; V107-F223 WeakPolarHBondContact O-CD2 3.01Å; V107-F223 PolarHBondContact O-N 3.04Å; V107-Y246 HydrophobicContact CB-CD2 3.99Å; V107-Y246 HydrophobicContact CB-CE2 4.11Å; V107-Y246 HydrophobicContact CG2-CD2 3.86Å; V107-Y246 HydrophobicContact CG2-CE2 3.93Å |
| 108 | S | 95.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 31.9 Ų | 31.9 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148.2 | 179.5 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | A38 T39 I221 N222 | A38-S108 VanDerWaalsContact CA-O 3.31Å; A38-S108 WeakPolarHBondContact CA-O 3.49Å; T39-S108 WeakPolarHBondContact CG2-OG 3.46Å; T39-S108 PolarHBondContact N-O 3.48Å; T39-S108 PolarHBondContact OG1-N 3Å; T39-S108 PolarHBondContact OG1-O 3.16Å; T39-S108 PolarHBondContact OG1-OG 2.99Å; S108-I221 CarbonylContact C-O 3.22Å; S108-I221 WeakPolarHBondContact CA-O 3.38Å; S108-N222 VanDerWaalsContact CB-OD1 3.23Å; S108-N222 WeakPolarHBondContact CB-OD1 3.34Å |
| 109 | V | 95.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.7 | 173.1 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | L36 S37 A38 I82 W98 R220 I221 F223 M251 | L36-V109 HydrophobicContact CD1-CG1 3.87Å; L36-V109 HydrophobicContact CG-CG1 4.4Å; S37-V109 CarbonylContact O-C 3.58Å; S37-V109 VanDerWaalsContact O-CA 3.29Å; S37-V109 WeakPolarHBondContact O-CA 3.49Å; A38-V109 HydrophobicContact CB-CG2 4.19Å; I82-V109 HydrophobicContact CD1-CG1 3.91Å; I82-V109 HydrophobicContact CD1-CG2 4.04Å; I82-V109 HydrophobicContact CG1-CG1 4.31Å; W98-V109 HydrophobicContact CH2-CG2 4.12Å; W98-V109 HydrophobicContact CZ2-CG2 4.37Å; W98-V109 HydrophobicContact CZ3-CG2 4.31Å; V109-R220 WeakPolarHBondContact O-CA 3.49Å; V109-I221 PolarHBondContact N-O 2.76Å; V109-I221 PolarHBondContact O-N 2.86Å; V109-F223 HydrophobicContact CG2-CE2 4.05Å; V109-M251 HydrophobicContact CG1-CE 4.06Å |
| 110 | R | 95.1 | Very high | 91.5 | Very high | 110 Ų | 110 | 34.1 Ų | 34.1 | 42% | 0.415 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.6 | 179.9 | -169.5 | -177.3 | 81.5 | -170.2 | 6.1 | 110.6 | S37 D112 W146 L219 | S37-R110 PolarHBondContact N-O 3.43Å; S37-R110 PolarHBondContact O-N 3.13Å; S37-R110 PolarHBondContact OG-O 3.26Å; R110-D112 WeakPolarHBondContact CD-OD1 3.42Å; R110-D112 IonicContact CZ-OD1 3.69Å; R110-D112 IonicContact CZ-OD2 3.42Å; R110-D112 VanDerWaalsContact NE-CG 3.28Å; R110-D112 IonicContact NE-OD1 3.94Å; R110-D112 PolarHBondContact NE-OD1 2.87Å; R110-D112 IonicContact NE-OD2 3.36Å; R110-D112 PolarHBondContact NE-OD2 2.88Å; R110-D112 IonicContact NH2-OD1 3.87Å; R110-D112 IonicContact NH2-OD2 2.81Å; R110-D112 PolarHBondContact NH2-OD2 3.46Å; R110-W146 HydrophobicContact CG-CH2 4.24Å; R110-L219 WeakPolarHBondContact CA-O 3.44Å |
| 111 | L | 94.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.8 | 168.4 | 174.2 | 61.6 | 0 | 0 | 0 | 108.7 | L29 R32 L36 L113 N218 L219 V253 | L29-L111 HydrophobicContact CD2-CD1 3.88Å; L29-L111 HydrophobicContact CD2-CD2 3.71Å; L29-L111 HydrophobicContact CD2-CG 4.29Å; L29-L111 HydrophobicContact CG-CD2 4.31Å; R32-L111 HydrophobicContact CB-CD1 4.21Å; L36-L111 HydrophobicContact CD1-CB 3.96Å; L36-L111 HydrophobicContact CD1-CD1 4.37Å; L111-L113 HydrophobicContact CD1-CD2 4.27Å; L111-L113 HydrophobicContact CD2-CD2 3.9Å; L111-L113 HydrophobicContact CG-CD2 3.92Å; L111-N218 VanDerWaalsContact O-CA 3.3Å; L111-N218 WeakPolarHBondContact O-CA 3.38Å; L111-L219 HydrophobicContact CB-CB 4.49Å; L111-L219 PolarHBondContact N-O 2.83Å; L111-L219 PolarHBondContact O-N 3.04Å; L111-V253 HydrophobicContact CD2-CB 4.38Å; L111-V253 HydrophobicContact CD2-CG1 4.22Å; L111-V253 HydrophobicContact CD2-CG2 4.08Å |
| 112 | D | 91.9 | Very high | 91.4 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 16% | 0.16 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.1 | 174.1 | -56.3 | -47.9 | 0 | 0 | 0 | 109.6 | R35 R110 N218 | R35-D112 VanDerWaalsContact CB-O 3.23Å; R35-D112 WeakPolarHBondContact CB-O 3.47Å; R35-D112 WeakPolarHBondContact CD-O 3.45Å; R35-D112 PolarHBondContact O-N 2.93Å; R110-D112 WeakPolarHBondContact CD-OD1 3.42Å; R110-D112 IonicContact CZ-OD1 3.69Å; R110-D112 IonicContact CZ-OD2 3.42Å; R110-D112 VanDerWaalsContact NE-CG 3.28Å; R110-D112 IonicContact NE-OD1 3.94Å; R110-D112 PolarHBondContact NE-OD1 2.87Å; R110-D112 IonicContact NE-OD2 3.36Å; R110-D112 PolarHBondContact NE-OD2 2.88Å; R110-D112 IonicContact NH2-OD1 3.87Å; R110-D112 IonicContact NH2-OD2 2.81Å; R110-D112 PolarHBondContact NH2-OD2 3.46Å; D112-N218 PolarHBondContact OD1-ND2 3.05Å |
| 113 | L | 90.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 153.6 | 177.9 | -52 | 173.2 | 0 | 0 | 0 | 109.7 | L28 L111 A115 F117 V216 T217 | L28-L113 HydrophobicContact CB-CD2 4.34Å; L28-L113 HydrophobicContact CD1-CD1 4.09Å; L111-L113 HydrophobicContact CD1-CD2 4.27Å; L111-L113 HydrophobicContact CD2-CD2 3.9Å; L111-L113 HydrophobicContact CG-CD2 3.92Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-F117 HydrophobicContact CB-CD2 3.84Å; L113-F117 HydrophobicContact CB-CE2 3.91Å; L113-F117 HydrophobicContact CD1-CB 4Å; L113-F117 HydrophobicContact CD1-CD2 3.55Å; L113-F117 HydrophobicContact CD1-CE2 4.35Å; L113-F117 HydrophobicContact CD1-CG 4Å; L113-F117 HydrophobicContact CG-CD2 4.17Å; L113-V216 HydrophobicContact CD1-CG1 4Å; L113-T217 WeakPolarHBondContact CA-O 3.19Å; L113-T217 WeakPolarHBondContact CB-O 3.46Å; L113-T217 WeakPolarHBondContact CG-O 3.44Å; L113-T217 PolarHBondContact N-O 3.42Å |
| 114 | E | 83.4 | Confident | 92 | Very high | 34 Ų | 34 | 31.6 Ų | 31.6 | 16% | 0.159 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -13.1 | 178.9 | 74.5 | -81 | -168.6 | 0 | 0 | 114.1 | R32 I269 | R32-E114 IonicContact CZ-OE1 3.86Å; R32-E114 IonicContact CZ-OE2 3.28Å; R32-E114 IonicContact NE-OE1 3.45Å; R32-E114 IonicContact NE-OE2 2.71Å; R32-E114 PolarHBondContact NE-OE2 3.45Å; R32-E114 VanDerWaalsContact NH2-CD 3.35Å; R32-E114 IonicContact NH2-OE1 3.94Å; R32-E114 PolarHBondContact NH2-OE1 2.8Å; R32-E114 IonicContact NH2-OE2 3.08Å; R32-E114 PolarHBondContact NH2-OE2 3.22Å; E114-I269 HydrophobicContact CG-CD1 3.76Å |
| 115 | A | 86.5 | Confident | 92.2 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -173.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L113 F117 I269 G289 | L113-A115 VanDerWaalsContact C-N 3.33Å; A115-F117 HydrophobicContact CB-CE2 3.87Å; A115-F117 HydrophobicContact CB-CZ 4.49Å; A115-F117 WeakPolarHBondContact O-CD2 3.37Å; A115-I269 HydrophobicContact CB-CD1 3.79Å; A115-G289 WeakPolarHBondContact CB-O 3.46Å |
| 116 | E | 88.9 | Confident | 92.3 | Very high | 18 Ų | 18 | 25.6 Ų | 25.6 | 8% | 0.084 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 134.1 | 172.1 | -160.3 | -172.8 | 111.5 | 0 | 0 | 111.5 | R215 S258 N301 | E116-R215 VanDerWaalsContact CD-CG 3.47Å; E116-R215 HydrophobicContact CG-CG 3.54Å; E116-R215 WeakPolarHBondContact OE1-CD 3.48Å; E116-R215 WeakPolarHBondContact OE2-CD 3.47Å; E116-R215 IonicContact OE2-NH1 3.42Å; E116-S258 WeakPolarHBondContact OE1-CB 3.25Å; E116-S258 PolarHBondContact OE1-OG 2.83Å; E116-N301 WeakPolarHBondContact CB-ND2 2.98Å |
| 117 | F | 91.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 149.1 | 176.4 | -69 | -97.6 | 0 | 0 | 0 | 111.2 | L28 L113 A115 V216 S256 V287 H288 | L28-F117 HydrophobicContact CD1-CB 3.78Å; L28-F117 HydrophobicContact CD1-CD1 4.2Å; L28-F117 HydrophobicContact CD1-CG 4.07Å; L28-F117 HydrophobicContact CD2-CD1 3.55Å; L28-F117 HydrophobicContact CD2-CE1 4.02Å; L28-F117 HydrophobicContact CD2-CG 4.26Å; L113-F117 HydrophobicContact CB-CD2 3.84Å; L113-F117 HydrophobicContact CB-CE2 3.91Å; L113-F117 HydrophobicContact CD1-CB 4Å; L113-F117 HydrophobicContact CD1-CD2 3.55Å; L113-F117 HydrophobicContact CD1-CE2 4.35Å; L113-F117 HydrophobicContact CD1-CG 4Å; L113-F117 HydrophobicContact CG-CD2 4.17Å; A115-F117 HydrophobicContact CB-CE2 3.87Å; A115-F117 HydrophobicContact CB-CZ 4.49Å; A115-F117 WeakPolarHBondContact O-CD2 3.37Å; F117-V216 HydrophobicContact CB-CG1 4.44Å; F117-V216 PolarHBondContact N-O 3.31Å; F117-V216 PolarHBondContact O-N 2.71Å; F117-S256 WeakPolarHBondContact CA-O 3.05Å; F117-S256 WeakPolarHBondContact CB-O 3.37Å; F117-S256 WeakPolarHBondContact CD1-O 3.17Å; F117-V287 HydrophobicContact CD1-CG1 4.34Å; F117-V287 HydrophobicContact CE1-CG1 4.02Å; F117-H288 WeakPolarHBondContact CE1-O 3.31Å |
| 118 | H | 90.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 21.8 Ų | 21.8 | 10% | 0.102 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 111.7 | 167.1 | -76 | 171.8 | 0 | 0 | 0 | 109.9 | Q211 L214 G255 S256 S258 Y260 | H118-Q211 PolarHBondContact NE2-OE1 3.43Å; H118-L214 WeakPolarHBondContact CA-O 3.34Å; H118-G255 CarbonylContact O-C 3.37Å; H118-G255 WeakPolarHBondContact O-CA 3.45Å; H118-S256 PolarHBondContact N-O 3.22Å; H118-S256 PolarHBondContact O-N 3.09Å; H118-S258 PolarHBondContact CD2-OG 2.81Å; H118-S258 PolarHBondContact NE2-OG 3.45Å; H118-Y260 AromaticContact NE2-CE1 3.95Å |
| 119 | F | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.3 | 179.7 | 166.4 | -115.3 | 0 | 0 | 0 | 111.8 | H121 L122 Y149 F193 V195 L214 V216 L219 V253 | F119-H121 VanDerWaalsContact CE2-O 3.31Å; F119-H121 WeakPolarHBondContact CE2-O 3.01Å; F119-L122 HydrophobicContact CE2-CB 4.1Å; F119-L122 HydrophobicContact CZ-CB 3.75Å; F119-Y149 AromaticContact CD1-CE2 3.77Å; F119-Y149 HydrophobicContact CD1-CE2 3.77Å; F119-Y149 AromaticContact CD1-CZ 3.96Å; F119-Y149 HydrophobicContact CE1-CD2 4.34Å; F119-Y149 AromaticContact CE1-CE2 3.69Å; F119-Y149 HydrophobicContact CE1-CE2 3.69Å; F119-F193 HydrophobicContact CE1-CD1 4.09Å; F119-F193 AromaticContact CE1-CE1 3.96Å; F119-F193 HydrophobicContact CE1-CE1 3.96Å; F119-F193 HydrophobicContact CZ-CD1 4.22Å; F119-V195 HydrophobicContact CD1-CG2 3.38Å; F119-V195 HydrophobicContact CE1-CG2 3.48Å; F119-V195 VanDerWaalsContact CE1-CG2 3.48Å; F119-V195 HydrophobicContact CG-CG2 4.3Å; F119-V195 HydrophobicContact CZ-CG2 4.45Å; F119-V195 WeakPolarHBondContact O-CG2 3.11Å; F119-L214 PolarHBondContact N-O 2.8Å; F119-L214 WeakPolarHBondContact O-CD2 3.46Å; F119-V216 HydrophobicContact CB-CB 4.26Å; F119-V216 HydrophobicContact CB-CG1 3.44Å; F119-V216 VanDerWaalsContact CB-CG1 3.44Å; F119-V216 HydrophobicContact CG-CG1 4.33Å; F119-L219 HydrophobicContact CE1-CD1 4.15Å; F119-L219 HydrophobicContact CZ-CD1 4.43Å; F119-L219 HydrophobicContact CZ-CD2 4.36Å; F119-V253 HydrophobicContact CD2-CG1 3.75Å; F119-V253 HydrophobicContact CE2-CG1 3.83Å |
| 120 | T | 90.5 | Very high | 91.6 | Very high | 47 Ų | 47 | 22.7 Ų | 22.7 | 29% | 0.288 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -48.9 | -173.1 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | V195 R254 | T120-V195 PolarHBondContact O-N 3.29Å; T120-V195 VanDerWaalsContact O-N 3.08Å; T120-R254 PolarHBondContact N-O 2.77Å; T120-R254 PolarHBondContact OG1-O 2.63Å |
| 121 | H | 92.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 17.5 Ų | 17.5 | 19% | 0.194 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 149.7 | -179.9 | 57.9 | -88.5 | 0 | 0 | 0 | 113.9 | F119 F193 K194 R254 | F119-H121 VanDerWaalsContact CE2-O 3.31Å; F119-H121 WeakPolarHBondContact CE2-O 3.01Å; H121-F193 CarbonylContact C-O 3.49Å; H121-F193 WeakPolarHBondContact CA-O 3.4Å; H121-F193 WeakPolarHBondContact CB-O 3.26Å; H121-K194 HydrophobicContact CB-CB 4.49Å; H121-K194 HydrophobicContact CB-CG 4.06Å; H121-R254 WeakPolarHBondContact CE1-CD 3.46Å; H121-R254 PolarHBondContact N-O 3Å; H121-R254 PolarHBondContact O-N 3.34Å |
| 122 | L | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.5 | 171 | 172.4 | 67.8 | 0 | 0 | 0 | 109.7 | F119 M124 I136 V192 F193 L219 I221 M251 V252 V253 | F119-L122 HydrophobicContact CE2-CB 4.1Å; F119-L122 HydrophobicContact CZ-CB 3.75Å; L122-M124 HydrophobicContact CD1-CG 4.03Å; L122-M124 HydrophobicContact CD2-CE 3.54Å; L122-M124 HydrophobicContact CD2-CG 4.27Å; L122-M124 HydrophobicContact CD2-SD 4Å; L122-M124 HydrophobicContact CG-CE 4.15Å; L122-M124 HydrophobicContact CG-CG 4.14Å; L122-I136 HydrophobicContact CD2-CD1 3.84Å; L122-I136 HydrophobicContact CD2-CG1 4.48Å; L122-V192 WeakPolarHBondContact O-CA 3.41Å; L122-F193 HydrophobicContact CB-CB 4.48Å; L122-F193 PolarHBondContact N-O 3.49Å; L122-F193 PolarHBondContact O-N 3.36Å; L122-L219 HydrophobicContact CD2-CD2 4.47Å; L122-I221 HydrophobicContact CD2-CD1 3.81Å; L122-I221 HydrophobicContact CD2-CG1 4.12Å; L122-M251 HydrophobicContact CD1-CG 3.67Å; L122-M251 HydrophobicContact CD1-SD 4.19Å; L122-V252 WeakPolarHBondContact CA-O 3.19Å; L122-V253 HydrophobicContact CD1-CG2 3.9Å |
| 123 | I | 93.8 | Very high | 91.7 | Very high | 46 Ų | 46 | 16.2 Ų | 16.2 | 24% | 0.236 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.1 | 167 | -59.2 | 168 | 0 | 0 | 0 | 107.8 | V192 M251 V252 | I123-V192 HydrophobicContact CG1-CG1 4.35Å; I123-V192 HydrophobicContact CG1-CG2 4.38Å; I123-M251 WeakPolarHBondContact O-CA 3.49Å; I123-V252 HydrophobicContact CB-CB 4.47Å; I123-V252 PolarHBondContact N-O 3.26Å; I123-V252 PolarHBondContact O-N 3.21Å |
| 124 | M | 94.5 | Very high | 92 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.1 | 172.2 | -70.6 | 172.7 | -69.5 | 0 | 0 | 109.8 | L122 F126 M134 E190 V191 I221 F223 M251 | L122-M124 HydrophobicContact CD1-CG 4.03Å; L122-M124 HydrophobicContact CD2-CE 3.54Å; L122-M124 HydrophobicContact CD2-CG 4.27Å; L122-M124 HydrophobicContact CD2-SD 4Å; L122-M124 HydrophobicContact CG-CE 4.15Å; L122-M124 HydrophobicContact CG-CG 4.14Å; M124-F126 HydrophobicContact CB-CD2 4.36Å; M124-F126 HydrophobicContact CB-CE2 3.74Å; M124-F126 HydrophobicContact CB-CZ 4.42Å; M124-F126 HydrophobicContact SD-CZ 4.46Å; M124-M134 HydrophobicContact CE-CE 3.69Å; M124-M134 HydrophobicContact CE-SD 4.45Å; M124-E190 CarbonylContact O-C 3.57Å; M124-E190 VanDerWaalsContact O-CA 3.29Å; M124-E190 WeakPolarHBondContact O-CA 3.17Å; M124-V191 HydrophobicContact CE-CB 3.99Å; M124-V191 HydrophobicContact CE-CG1 3.91Å; M124-V191 PolarHBondContact N-O 3.01Å; M124-V191 PolarHBondContact O-N 3.11Å; M124-I221 HydrophobicContact CE-CG2 4.39Å; M124-I221 HydrophobicContact SD-CD1 3.9Å; M124-I221 HydrophobicContact SD-CG2 4.1Å; M124-F223 HydrophobicContact SD-CZ 4.49Å; M124-M251 HydrophobicContact CG-CE 4.03Å; M124-M251 HydrophobicContact CG-CG 3.99Å; M124-M251 HydrophobicContact SD-CE 3.98Å |
| 125 | T | 93.3 | Very high | 92.6 | Very high | 22 Ų | 22 | 15.1 Ų | 15.1 | 14% | 0.135 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 110.2 | 178.6 | -51.7 | 0 | 0 | 0 | 0 | 109.5 | E190 Y249 E250 | T125-E190 HydrophobicContact CG2-CG 4.14Å; T125-E190 PolarHBondContact OG1-OE1 3.18Å; T125-Y249 PolarHBondContact O-N 3.14Å; T125-E250 PolarHBondContact N-O 3.42Å |
| 126 | F | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.9 | -174.3 | -73.7 | -99.5 | 0 | 0 | 0 | 112.5 | M124 S128 R130 P131 G188 G189 V191 F223 A247 I248 | M124-F126 HydrophobicContact CB-CD2 4.36Å; M124-F126 HydrophobicContact CB-CE2 3.74Å; M124-F126 HydrophobicContact CB-CZ 4.42Å; M124-F126 HydrophobicContact SD-CZ 4.46Å; F126-S128 WeakPolarHBondContact CB-O 3.31Å; F126-R130 HydrophobicContact CB-CG 4.27Å; F126-R130 HydrophobicContact CD2-CG 3.9Å; F126-R130 HydrophobicContact CG-CG 4.18Å; F126-P131 HydrophobicContact CE1-CG 3.99Å; F126-P131 HydrophobicContact CZ-CG 3.93Å; F126-G188 WeakPolarHBondContact O-CA 3.24Å; F126-G188 PolarHBondContact O-N 2.89Å; F126-G189 WeakPolarHBondContact CB-O 3.03Å; F126-G189 PolarHBondContact N-O 3.03Å; F126-V191 HydrophobicContact CD2-CG2 4.17Å; F126-V191 HydrophobicContact CE2-CB 4.25Å; F126-V191 HydrophobicContact CE2-CG2 3.64Å; F126-F223 HydrophobicContact CE1-CE1 4.29Å; F126-F223 HydrophobicContact CE1-CZ 4.32Å; F126-F223 AromaticContact CZ-CE1 3.86Å; F126-F223 HydrophobicContact CZ-CE1 3.86Å; F126-F223 HydrophobicContact CZ-CZ 4.1Å; F126-A247 CarbonylContact C-O 3.58Å; F126-A247 WeakPolarHBondContact CA-O 3.38Å; F126-A247 WeakPolarHBondContact CD1-O 3.46Å; F126-I248 HydrophobicContact CD1-CG1 3.87Å; F126-I248 HydrophobicContact CE1-CD1 4.05Å; F126-I248 HydrophobicContact CE1-CG1 3.66Å; F126-I248 HydrophobicContact CG-CG1 4.48Å; F126-I248 HydrophobicContact CZ-CD1 4.15Å; F126-I248 HydrophobicContact CZ-CG1 4.11Å |
| 127 | K | 91 | Very high | 93.3 | Very high | 27 Ų | 27 | 15.1 Ų | 15.1 | 12% | 0.117 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -80.6 | -38.2 | 166.7 | 173.4 | 177 | -167 | 81.2 | 0 | 111.7 | W97 T187 A247 Y249 | W97-K127 HydrophobicContact CB-CD 4.12Å; W97-K127 HydrophobicContact CD2-CD 3.38Å; W97-K127 VanDerWaalsContact CE2-CD 3.45Å; W97-K127 VanDerWaalsContact CE2-CE 3.42Å; W97-K127 HydrophobicContact CE3-CD 3.98Å; W97-K127 HydrophobicContact CG-CD 3.44Å; W97-K127 VanDerWaalsContact CG-CD 3.44Å; W97-K127 HydrophobicContact CZ2-CD 4.1Å; K127-T187 VanDerWaalsContact O-CB 3.3Å; K127-T187 WeakPolarHBondContact O-CB 3Å; K127-T187 PolarHBondContact O-OG1 3.17Å; K127-A247 HydrophobicContact CB-CB 3.8Å; K127-A247 HydrophobicContact CD-CB 4.27Å; K127-A247 HydrophobicContact CG-CB 4.22Å; K127-A247 PolarHBondContact N-O 3.02Å; K127-Y249 VanDerWaalsContact CA-CE2 3.42Å; K127-Y249 HydrophobicContact CB-CD1 4.16Å; K127-Y249 HydrophobicContact CB-CD2 3.77Å; K127-Y249 HydrophobicContact CB-CE1 3.98Å; K127-Y249 HydrophobicContact CB-CE2 3.59Å; K127-Y249 HydrophobicContact CB-CG 4.05Å; K127-Y249 HydrophobicContact CD-CE1 3.91Å; K127-Y249 HydrophobicContact CG-CE1 3.96Å; K127-Y249 HydrophobicContact CG-CE2 3.95Å; K127-Y249 PolarHBondContact NZ-OH 2.96Å |
| 128 | S | 90.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 15.7 Ų | 15.7 | 10% | 0.098 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -79.2 | -173.3 | 170.9 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | F126 S186 Y245 A247 | F126-S128 WeakPolarHBondContact CB-O 3.31Å; S128-S186 CarbonylContact C-O 3.43Å; S128-Y245 VanDerWaalsContact CB-O 3.32Å; S128-Y245 WeakPolarHBondContact CB-O 3.18Å; S128-A247 PolarHBondContact N-O 2.98Å; S128-A247 PolarHBondContact OG-N 3.2Å; S128-A247 PolarHBondContact OG-O 3.31Å |
| 129 | F | 90.7 | Very high | 93.6 | Very high | 28 Ų | 28 | 14.7 Ų | 14.7 | 12% | 0.123 | 8% | 0.076 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 149.9 | 152 | -58.7 | -63.1 | 0 | 0 | 0 | 110.5 | V53 V183 S186 H227 L229 | V53-F129 HydrophobicContact CB-CE2 4.05Å; V53-F129 HydrophobicContact CB-CZ 4.19Å; V53-F129 HydrophobicContact CG1-CE2 4.04Å; V53-F129 HydrophobicContact CG1-CZ 3.9Å; V53-F129 HydrophobicContact CG2-CE2 4.14Å; F129-V183 HydrophobicContact CD1-CG1 3.92Å; F129-V183 VanDerWaalsContact CD1-O 3.23Å; F129-V183 WeakPolarHBondContact CD1-O 3.3Å; F129-V183 HydrophobicContact CE1-CG1 3.8Å; F129-S186 VanDerWaalsContact CE1-CB 3.44Å; F129-H227 HydrophobicContact CB-CB 4.38Å; F129-L229 HydrophobicContact CE2-CD1 3.91Å; F129-L229 HydrophobicContact CE2-CG 4.38Å; F129-L229 HydrophobicContact CZ-CD1 3.86Å; F129-L229 HydrophobicContact CZ-CD2 4.35Å; F129-L229 HydrophobicContact CZ-CG 4.48Å |
| 130 | R | 93.4 | Very high | 93.4 | Very high | 20 Ų | 20 | 15.5 Ų | 15.5 | 8% | 0.075 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 158.9 | 165.5 | -64.2 | 177.7 | -65.5 | -175.4 | 3.5 | 109.8 | F126 Y180 F182 A184 E190 V191 H227 | F126-R130 HydrophobicContact CB-CG 4.27Å; F126-R130 HydrophobicContact CD2-CG 3.9Å; F126-R130 HydrophobicContact CG-CG 4.18Å; R130-Y180 WeakPolarHBondContact CD-O 3.24Å; R130-Y180 VanDerWaalsContact CZ-O 3.3Å; R130-Y180 PolarHBondContact NE-O 2.82Å; R130-Y180 VanDerWaalsContact NE-O 3.15Å; R130-F182 PolarHBondContact NE-O 3.17Å; R130-F182 PolarHBondContact NH2-O 3.26Å; R130-A184 PolarHBondContact NH2-O 2.79Å; R130-E190 WeakPolarHBondContact CD-O 3.49Å; R130-E190 PolarHBondContact NH1-O 3.43Å; R130-V191 HydrophobicContact CB-CG2 4.42Å; R130-V191 HydrophobicContact CG-CG2 4.19Å; R130-H227 PolarHBondContact O-CD2 3.06Å |
| 131 | P | 94.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.013 | 8% | 0.079 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 144.5 | 175.4 | -23.9 | 35.3 | 0 | 0 | 0 | 111.9 | F126 A133 M134 F223 Y246 | F126-P131 HydrophobicContact CE1-CG 3.99Å; F126-P131 HydrophobicContact CZ-CG 3.93Å; P131-A133 VanDerWaalsContact C-N 3.31Å; P131-M134 HydrophobicContact CB-CB 3.99Å; P131-M134 HydrophobicContact CB-CG 4.14Å; P131-M134 HydrophobicContact CB-SD 4.31Å; P131-M134 HydrophobicContact CG-CB 4.25Å; P131-M134 HydrophobicContact CG-CG 4.26Å; P131-M134 HydrophobicContact CG-SD 3.8Å; P131-F223 HydrophobicContact CB-CD1 4.23Å; P131-F223 HydrophobicContact CG-CB 4.5Å; P131-F223 HydrophobicContact CG-CD1 3.41Å; P131-F223 VanDerWaalsContact CG-CD1 3.41Å; P131-F223 HydrophobicContact CG-CE1 3.9Å; P131-F223 HydrophobicContact CG-CG 4.16Å; P131-Y246 HydrophobicContact CB-CD1 4.48Å; P131-Y246 HydrophobicContact CB-CE1 3.86Å; P131-Y246 HydrophobicContact CG-CD1 4.06Å; P131-Y246 HydrophobicContact CG-CE1 3.92Å |
| 132 | A | 93.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 6% | 0.058 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -75.4 | -26.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A153 Y154 K225 | A132-A153 CarbonylContact O-C 3.51Å; A132-A153 WeakPolarHBondContact O-CA 3.38Å; A132-Y154 PolarHBondContact O-N 3.21Å; A132-K225 HydrophobicContact CB-CB 4.13Å; A132-K225 HydrophobicContact CB-CG 4.2Å; A132-K225 WeakPolarHBondContact CB-O 3.34Å; A132-K225 PolarHBondContact N-O 2.9Å |
| 133 | A | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 143 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P131 F152 A153 F160 T224 K225 | P131-A133 VanDerWaalsContact C-N 3.31Å; A133-F152 CarbonylContact C-O 3.46Å; A133-F152 VanDerWaalsContact CA-O 3.3Å; A133-F152 WeakPolarHBondContact CA-O 3.48Å; A133-A153 HydrophobicContact CB-CB 4.05Å; A133-F160 HydrophobicContact CB-CE2 3.99Å; A133-F160 HydrophobicContact CB-CZ 4.16Å; A133-T224 VanDerWaalsContact C-OG1 3.32Å; A133-T224 WeakPolarHBondContact CB-OG1 3.49Å; A133-T224 PolarHBondContact O-N 3.44Å; A133-T224 PolarHBondContact O-OG1 2.8Å; A133-K225 HydrophobicContact CB-CB 3.7Å; A133-K225 HydrophobicContact CB-CD 4.42Å; A133-K225 PolarHBondContact N-O 3.11Å; A133-K225 PolarHBondContact O-N 2.84Å |
| 134 | M | 96.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 165.6 | 175.9 | 64.2 | 169.8 | -73.1 | 0 | 0 | 112.3 | M124 P131 I136 F152 F160 V191 I221 N222 F223 | M124-M134 HydrophobicContact CE-CE 3.69Å; M124-M134 HydrophobicContact CE-SD 4.45Å; P131-M134 HydrophobicContact CB-CB 3.99Å; P131-M134 HydrophobicContact CB-CG 4.14Å; P131-M134 HydrophobicContact CB-SD 4.31Å; P131-M134 HydrophobicContact CG-CB 4.25Å; P131-M134 HydrophobicContact CG-CG 4.26Å; P131-M134 HydrophobicContact CG-SD 3.8Å; M134-I136 HydrophobicContact CE-CG1 4.11Å; M134-F152 HydrophobicContact CE-CD2 4.48Å; M134-F152 HydrophobicContact CG-CB 3.84Å; M134-F152 HydrophobicContact CG-CD2 4.24Å; M134-F152 HydrophobicContact CG-CG 4.41Å; M134-F152 PolarHBondContact N-O 3.23Å; M134-F152 PolarHBondContact O-N 3.04Å; M134-F152 VanDerWaalsContact O-O 3.09Å; M134-F160 WeakPolarHBondContact O-CE2 3.48Å; M134-V191 HydrophobicContact SD-CG1 4.22Å; M134-V191 HydrophobicContact SD-CG2 4.33Å; M134-I221 HydrophobicContact CE-CG2 3.58Å; M134-N222 CarbonylContact C-O 2.99Å; M134-N222 WeakPolarHBondContact CA-O 3.4Å; M134-N222 VanDerWaalsContact CB-O 3.25Å; M134-N222 WeakPolarHBondContact CB-O 3.43Å; M134-F223 HydrophobicContact CB-CD1 3.88Å; M134-F223 HydrophobicContact CE-CD1 4.3Å; M134-F223 HydrophobicContact CE-CE1 3.94Å; M134-F223 HydrophobicContact SD-CD1 4.1Å; M134-F223 HydrophobicContact SD-CE1 3.99Å |
| 135 | L | 95.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 9% | 0.094 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.8 | 169.9 | 65.9 | 150.4 | 0 | 0 | 0 | 112.2 | E137 T148 R150 Y151 F160 N222 T224 | L135-E137 HydrophobicContact CD1-CG 3.86Å; L135-T148 HydrophobicContact CD1-CG2 4.14Å; L135-R150 WeakPolarHBondContact CA-O 3.06Å; L135-Y151 HydrophobicContact CB-CD1 3.74Å; L135-Y151 HydrophobicContact CB-CE1 4.07Å; L135-Y151 HydrophobicContact CB-CG 4.43Å; L135-Y151 HydrophobicContact CD1-CE1 3.99Å; L135-Y151 HydrophobicContact CG-CE1 4.48Å; L135-F160 HydrophobicContact CD2-CE1 4.17Å; L135-F160 HydrophobicContact CD2-CZ 4.19Å; L135-N222 HydrophobicContact CD2-CB 3.79Å; L135-N222 HydrophobicContact CG-CB 4.12Å; L135-N222 PolarHBondContact N-O 2.89Å; L135-N222 PolarHBondContact O-N 2.8Å; L135-T224 HydrophobicContact CD2-CG2 3.98Å |
| 136 | I | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.5 | 174.1 | -52.8 | 171.5 | 0 | 0 | 0 | 108.7 | L122 M134 Y149 R150 F152 F193 L219 | L122-I136 HydrophobicContact CD2-CD1 3.84Å; L122-I136 HydrophobicContact CD2-CG1 4.48Å; M134-I136 HydrophobicContact CE-CG1 4.11Å; I136-Y149 HydrophobicContact CG2-CD2 4.11Å; I136-Y149 PolarHBondContact O-N 3.49Å; I136-R150 PolarHBondContact N-O 2.91Å; I136-F152 HydrophobicContact CD1-CE2 3.68Å; I136-F152 HydrophobicContact CD1-CZ 4.31Å; I136-F152 HydrophobicContact CG1-CE2 4.12Å; I136-F193 HydrophobicContact CD1-CB 3.58Å; I136-F193 HydrophobicContact CD1-CD1 3.96Å; I136-F193 HydrophobicContact CD1-CG 3.81Å; I136-L219 HydrophobicContact CG2-CD1 3.89Å; I136-L219 HydrophobicContact CG2-CG 4.5Å |
| 137 | E | 95.2 | Very high | 92.5 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 152.6 | 178.1 | -59.1 | 167.4 | 101.7 | 0 | 0 | 110.6 | L135 W146 K147 R220 N222 | L135-E137 HydrophobicContact CD1-CG 3.86Å; E137-W146 HydrophobicContact CB-CE3 4.02Å; E137-K147 CarbonylContact C-O 3.53Å; E137-K147 VanDerWaalsContact CA-O 3.29Å; E137-K147 WeakPolarHBondContact CA-O 3.46Å; E137-R220 HydrophobicContact CB-CB 4.46Å; E137-R220 PolarHBondContact N-O 3.46Å; E137-R220 PolarHBondContact O-N 3.47Å; E137-R220 IonicContact OE1-CZ 3.93Å; E137-R220 IonicContact OE1-NE 2.96Å; E137-R220 IonicContact OE1-NH2 3.58Å; E137-R220 PolarHBondContact OE1-NH2 3.37Å; E137-R220 IonicContact OE2-CZ 3.02Å; E137-R220 VanDerWaalsContact OE2-CZ 3.26Å; E137-R220 IonicContact OE2-NE 3.39Å; E137-R220 PolarHBondContact OE2-NE 2.78Å; E137-R220 IonicContact OE2-NH2 2.92Å; E137-R220 PolarHBondContact OE2-NH2 2.96Å; E137-N222 PolarHBondContact OE2-ND2 2.77Å |
| 138 | R | 94.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.1 | 172.3 | 55.2 | 145.7 | 172.4 | 122.5 | 0.6 | 112.2 | S140 W146 K147 Y149 D212 V216 N218 | R138-S140 PolarHBondContact NH1-OG 3.41Å; R138-W146 CarbonylContact O-C 3.48Å; R138-W146 WeakPolarHBondContact O-CA 3.4Å; R138-K147 HydrophobicContact CG-CB 4.49Å; R138-K147 PolarHBondContact N-O 3.38Å; R138-K147 PolarHBondContact O-N 2.8Å; R138-Y149 HydrophobicContact CB-CD2 3.99Å; R138-Y149 HydrophobicContact CB-CE2 3.51Å; R138-Y149 WeakPolarHBondContact CD-OH 3.21Å; R138-Y149 HydrophobicContact CG-CD1 4.37Å; R138-Y149 HydrophobicContact CG-CD2 3.92Å; R138-Y149 HydrophobicContact CG-CE1 4.03Å; R138-Y149 HydrophobicContact CG-CE2 3.57Å; R138-Y149 HydrophobicContact CG-CG 4.31Å; R138-D212 IonicContact CZ-OD1 3.57Å; R138-D212 IonicContact CZ-OD2 3.69Å; R138-D212 PolarHBondContact NE-O 2.8Å; R138-D212 PolarHBondContact NH1-O 3.28Å; R138-D212 IonicContact NH1-OD1 2.73Å; R138-D212 PolarHBondContact NH1-OD1 2.04Å; R138-D212 IonicContact NH1-OD2 2.75Å; R138-D212 PolarHBondContact NH1-OD2 3.47Å; R138-D212 VanDerWaalsContact NH2-CG 3.27Å; R138-D212 PolarHBondContact NH2-O 3.39Å; R138-D212 VanDerWaalsContact NH2-O 3.1Å; R138-D212 IonicContact NH2-OD1 2.71Å; R138-D212 IonicContact NH2-OD2 3.79Å; R138-D212 PolarHBondContact NH2-OD2 3.4Å; R138-V216 HydrophobicContact CB-CG2 4.03Å; R138-N218 WeakPolarHBondContact CA-O 3.4Å |
| 139 | S | 93.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.7 | 157.3 | 165.5 | 0 | 0 | 0 | 0 | 108.7 | D141 F142 G143 T145 T217 N218 | S139-D141 PolarHBondContact OG-N 2.94Å; S139-D141 VanDerWaalsContact OG-N 3.14Å; S139-D141 PolarHBondContact OG-OD1 2.88Å; S139-F142 PolarHBondContact OG-N 3.17Å; S139-G143 VanDerWaalsContact OG-CA 3.3Å; S139-G143 WeakPolarHBondContact OG-CA 3.3Å; S139-G143 PolarHBondContact OG-N 2.81Å; S139-T145 WeakPolarHBondContact CA-O 3.34Å; S139-T145 WeakPolarHBondContact CB-O 3.35Å; S139-T145 PolarHBondContact OG-O 2.92Å; S139-T217 PolarHBondContact O-N 3.49Å; S139-T217 PolarHBondContact O-OG1 3.1Å; S139-T217 PolarHBondContact OG-OG1 2.68Å; S139-N218 PolarHBondContact N-O 3.32Å; S139-N218 PolarHBondContact O-N 2.72Å |
| 140 | S | 88.6 | Confident | 92.9 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 12% | 0.119 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -118.6 | 13.7 | 174.2 | -53 | 0 | 0 | 0 | 0 | 110.9 | R138 R215 | R138-S140 PolarHBondContact NH1-OG 3.41Å; S140-R215 PolarHBondContact OG-O 2.99Å |
| 141 | D | 89.8 | Confident | 93 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 23% | 0.225 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -143.2 | 33.2 | -167.4 | 66.2 | -5.7 | 0 | 0 | 0 | 112.6 | S139 G143 K144 T145 T217 | S139-D141 PolarHBondContact OG-N 2.94Å; S139-D141 VanDerWaalsContact OG-N 3.14Å; S139-D141 PolarHBondContact OG-OD1 2.88Å; D141-G143 VanDerWaalsContact C-N 3.3Å; D141-G143 PolarHBondContact O-N 3.15Å; D141-K144 WeakPolarHBondContact O-CG 3.25Å; D141-K144 PolarHBondContact OD1-N 2.88Å; D141-K144 WeakPolarHBondContact OD2-CB 3.3Å; D141-T145 VanDerWaalsContact CG-OG1 3.28Å; D141-T145 PolarHBondContact OD1-N 3.26Å; D141-T145 PolarHBondContact OD1-OG1 3.34Å; D141-T145 VanDerWaalsContact OD2-CB 3.27Å; D141-T145 WeakPolarHBondContact OD2-CB 3.26Å; D141-T145 VanDerWaalsContact OD2-CG2 3.3Å; D141-T145 WeakPolarHBondContact OD2-CG2 3.05Å; D141-T145 PolarHBondContact OD2-N 2.98Å; D141-T145 PolarHBondContact OD2-OG1 3.27Å; D141-T217 PolarHBondContact N-OG1 2.98Å |
| 142 | F | 90.7 | Very high | 93 | Very high | 126 Ų | 126 | 38.5 Ų | 38.5 | 55% | 0.553 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 33 | 179.1 | -58.5 | -85.1 | 0 | 0 | 0 | 114.8 | S139 T217 N218 | S139-F142 PolarHBondContact OG-N 3.17Å; F142-T217 WeakPolarHBondContact CA-OG1 3.23Å; F142-T217 HydrophobicContact CD1-CG2 4.02Å; F142-T217 HydrophobicContact CD2-CG2 4.12Å; F142-T217 HydrophobicContact CE1-CG2 3.85Å; F142-T217 HydrophobicContact CE2-CG2 3.95Å; F142-T217 HydrophobicContact CG-CG2 4.16Å; F142-T217 HydrophobicContact CZ-CG2 3.81Å; F142-T217 PolarHBondContact N-OG1 3.39Å; F142-N218 VanDerWaalsContact CA-OD1 3.24Å; F142-N218 WeakPolarHBondContact CA-OD1 3.28Å |
| 143 | G | 87.5 | Confident | 93.1 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 27% | 0.268 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S139 D141 W146 N218 | S139-G143 VanDerWaalsContact OG-CA 3.3Å; S139-G143 WeakPolarHBondContact OG-CA 3.3Å; S139-G143 PolarHBondContact OG-N 2.81Å; D141-G143 VanDerWaalsContact C-N 3.3Å; D141-G143 PolarHBondContact O-N 3.15Å; G143-W146 PolarHBondContact O-NE1 3.31Å; G143-N218 PolarHBondContact N-OD1 3.5Å |
| 144 | K | 88.6 | Confident | 92.9 | Very high | 181 Ų | 181 | 44.5 Ų | 44.5 | 79% | 0.787 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -68.6 | -46.9 | -179.6 | -64.3 | 172.6 | -175.7 | 175.8 | 0 | 111.5 | D141 | D141-K144 WeakPolarHBondContact O-CG 3.25Å; D141-K144 PolarHBondContact OD1-N 2.88Å; D141-K144 WeakPolarHBondContact OD2-CB 3.3Å |
| 145 | T | 91 | Very high | 92.7 | Very high | 78 Ų | 78 | 48 Ų | 48 | 48% | 0.479 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -118.9 | 158.5 | 174.9 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | S139 D141 | S139-T145 WeakPolarHBondContact CA-O 3.34Å; S139-T145 WeakPolarHBondContact CB-O 3.35Å; S139-T145 PolarHBondContact OG-O 2.92Å; D141-T145 VanDerWaalsContact CG-OG1 3.28Å; D141-T145 PolarHBondContact OD1-N 3.26Å; D141-T145 PolarHBondContact OD1-OG1 3.34Å; D141-T145 VanDerWaalsContact OD2-CB 3.27Å; D141-T145 WeakPolarHBondContact OD2-CB 3.26Å; D141-T145 VanDerWaalsContact OD2-CG2 3.3Å; D141-T145 WeakPolarHBondContact OD2-CG2 3.05Å; D141-T145 PolarHBondContact OD2-N 2.98Å; D141-T145 PolarHBondContact OD2-OG1 3.27Å |
| 146 | W | 92.7 | Very high | 92.5 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 24% | 0.242 | 23% | 0.225 | C | C | . | . | trans | -135.2 | 125 | -177.7 | -67.5 | 84 | 0 | 0 | 0 | 110.4 | R110 E137 R138 G143 N218 R220 | R110-W146 HydrophobicContact CG-CH2 4.24Å; E137-W146 HydrophobicContact CB-CE3 4.02Å; R138-W146 CarbonylContact O-C 3.48Å; R138-W146 WeakPolarHBondContact O-CA 3.4Å; G143-W146 PolarHBondContact O-NE1 3.31Å; W146-N218 HydrophobicContact CH2-CB 3.56Å; W146-N218 HydrophobicContact CZ2-CB 4.19Å; W146-N218 HydrophobicContact CZ3-CB 4.22Å; W146-R220 VanDerWaalsContact CD2-CZ 3.43Å; W146-R220 HydrophobicContact CE3-CB 3.87Å; W146-R220 VanDerWaalsContact CG-NH2 3.33Å; W146-R220 HydrophobicContact CH2-CB 3.76Å; W146-R220 HydrophobicContact CZ3-CB 3.26Å; W146-R220 HydrophobicContact CZ3-CG 4.44Å | ||
| 147 | K | 92.7 | Very high | 92.2 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.1 | 175.2 | -67.5 | 175.9 | 178.5 | 176 | 0 | 109.6 | E137 R138 D212 | E137-K147 CarbonylContact C-O 3.53Å; E137-K147 VanDerWaalsContact CA-O 3.29Å; E137-K147 WeakPolarHBondContact CA-O 3.46Å; R138-K147 HydrophobicContact CG-CB 4.49Å; R138-K147 PolarHBondContact N-O 3.38Å; R138-K147 PolarHBondContact O-N 2.8Å; K147-D212 IonicContact NZ-OD1 3.49Å; K147-D212 PolarHBondContact NZ-OD1 2.03Å; K147-D212 IonicContact NZ-OD2 2.65Å; K147-D212 PolarHBondContact NZ-OD2 3.09Å |
| 148 | T | 94 | Very high | 92 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.1 | 177.4 | -51 | 0 | 0 | 0 | 0 | 111.2 | L135 Y151 V174 | L135-T148 HydrophobicContact CD1-CG2 4.14Å; T148-Y151 HydrophobicContact CG2-CD2 4.17Å; T148-Y151 HydrophobicContact CG2-CE1 4.28Å; T148-Y151 HydrophobicContact CG2-CE2 3.67Å; T148-V174 HydrophobicContact CG2-CG1 4.21Å; T148-V174 WeakPolarHBondContact O-CG2 3.47Å |
| 149 | Y | 93.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -51 | 173.8 | -91.5 | -46.1 | 0 | 0 | 0 | 112.6 | F119 I136 R138 F193 V195 L213 L219 | F119-Y149 AromaticContact CD1-CE2 3.77Å; F119-Y149 HydrophobicContact CD1-CE2 3.77Å; F119-Y149 AromaticContact CD1-CZ 3.96Å; F119-Y149 HydrophobicContact CE1-CD2 4.34Å; F119-Y149 AromaticContact CE1-CE2 3.69Å; F119-Y149 HydrophobicContact CE1-CE2 3.69Å; I136-Y149 HydrophobicContact CG2-CD2 4.11Å; I136-Y149 PolarHBondContact O-N 3.49Å; R138-Y149 HydrophobicContact CB-CD2 3.99Å; R138-Y149 HydrophobicContact CB-CE2 3.51Å; R138-Y149 WeakPolarHBondContact CD-OH 3.21Å; R138-Y149 HydrophobicContact CG-CD1 4.37Å; R138-Y149 HydrophobicContact CG-CD2 3.92Å; R138-Y149 HydrophobicContact CG-CE1 4.03Å; R138-Y149 HydrophobicContact CG-CE2 3.57Å; R138-Y149 HydrophobicContact CG-CG 4.31Å; Y149-F193 HydrophobicContact CD1-CE1 4.01Å; Y149-F193 AromaticContact CD1-CZ 3.8Å; Y149-F193 HydrophobicContact CD1-CZ 3.8Å; Y149-F193 AromaticContact CD2-CE1 3.68Å; Y149-F193 HydrophobicContact CD2-CE1 3.68Å; Y149-F193 HydrophobicContact CD2-CZ 4.26Å; Y149-F193 HydrophobicContact CE2-CE1 4.18Å; Y149-F193 AromaticContact CG-CE1 3.57Å; Y149-F193 HydrophobicContact CG-CE1 3.57Å; Y149-F193 AromaticContact CG-CZ 3.66Å; Y149-F193 HydrophobicContact CG-CZ 3.66Å; Y149-V195 HydrophobicContact CE1-CG1 4.05Å; Y149-V195 HydrophobicContact CE1-CG2 4.1Å; Y149-V195 HydrophobicContact CE2-CG2 4.47Å; Y149-L213 HydrophobicContact CE1-CD2 4.3Å; Y149-L213 WeakPolarHBondContact CE1-O 3.08Å; Y149-L213 PolarHBondContact OH-O 2.78Å; Y149-L219 HydrophobicContact CD2-CD1 4.31Å; Y149-L219 HydrophobicContact CE2-CD1 4.11Å |
| 150 | R | 93.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 146.4 | -175.2 | -168.6 | 161.3 | -64.1 | -168.9 | 4.9 | 112.2 | L135 I136 F152 D177 F193 | L135-R150 WeakPolarHBondContact CA-O 3.06Å; I136-R150 PolarHBondContact N-O 2.91Å; R150-F152 HydrophobicContact CB-CE2 3.94Å; R150-F152 HydrophobicContact CB-CZ 4.23Å; R150-F152 HydrophobicContact CG-CD2 4.44Å; R150-F152 HydrophobicContact CG-CE1 4.41Å; R150-F152 HydrophobicContact CG-CE2 3.86Å; R150-F152 HydrophobicContact CG-CZ 3.86Å; R150-D177 IonicContact NH1-OD2 2.72Å; R150-F193 HydrophobicContact CB-CD2 3.93Å; R150-F193 HydrophobicContact CB-CE2 3.82Å |
| 151 | Y | 95.5 | Very high | 92 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 148.9 | 169.7 | -62.6 | -90 | 0 | 0 | 0 | 110.6 | L135 T148 F160 I163 V174 V175 C176 D177 | L135-Y151 HydrophobicContact CB-CD1 3.74Å; L135-Y151 HydrophobicContact CB-CE1 4.07Å; L135-Y151 HydrophobicContact CB-CG 4.43Å; L135-Y151 HydrophobicContact CD1-CE1 3.99Å; L135-Y151 HydrophobicContact CG-CE1 4.48Å; T148-Y151 HydrophobicContact CG2-CD2 4.17Å; T148-Y151 HydrophobicContact CG2-CE1 4.28Å; T148-Y151 HydrophobicContact CG2-CE2 3.67Å; Y151-F160 HydrophobicContact CD1-CB 4.25Å; Y151-F160 AromaticContact CD1-CD1 3.49Å; Y151-F160 HydrophobicContact CD1-CD1 3.49Å; Y151-F160 VanDerWaalsContact CD1-CD1 3.49Å; Y151-F160 AromaticContact CD1-CD2 3.78Å; Y151-F160 HydrophobicContact CD1-CD2 3.78Å; Y151-F160 AromaticContact CD1-CE1 3.65Å; Y151-F160 HydrophobicContact CD1-CE1 3.65Å; Y151-F160 AromaticContact CD1-CE2 3.91Å; Y151-F160 HydrophobicContact CD1-CE2 3.91Å; Y151-F160 AromaticContact CD1-CG 3.56Å; Y151-F160 HydrophobicContact CD1-CG 3.56Å; Y151-F160 AromaticContact CD1-CZ 3.85Å; Y151-F160 HydrophobicContact CD1-CZ 3.85Å; Y151-F160 AromaticContact CE1-CD1 3.78Å; Y151-F160 HydrophobicContact CE1-CD1 3.78Å; Y151-F160 HydrophobicContact CE1-CE1 4.01Å; Y151-F160 HydrophobicContact CE1-CG 4.22Å; Y151-F160 HydrophobicContact CG-CD2 4.16Å; Y151-F160 HydrophobicContact CG-CE2 4.48Å; Y151-F160 HydrophobicContact CG-CG 4.17Å; Y151-I163 HydrophobicContact CD2-CB 4.48Å; Y151-I163 HydrophobicContact CD2-CD1 4.36Å; Y151-I163 HydrophobicContact CD2-CG1 4.05Å; Y151-I163 HydrophobicContact CD2-CG2 3.74Å; Y151-I163 HydrophobicContact CE2-CD1 3.76Å; Y151-I163 HydrophobicContact CE2-CG1 3.88Å; Y151-I163 HydrophobicContact CE2-CG2 4.21Å; Y151-I163 HydrophobicContact CG-CG2 4.42Å; Y151-V174 HydrophobicContact CD2-CG1 3.84Å; Y151-V174 HydrophobicContact CE2-CG1 3.6Å; Y151-V175 PolarHBondContact N-O 3.32Å; Y151-C176 CarbonylContact O-C 3.59Å; Y151-C176 WeakPolarHBondContact O-CA 3.43Å; Y151-D177 PolarHBondContact O-N 3.17Å |
| 152 | F | 95.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 123 | 172.8 | -57.8 | -96.7 | 0 | 0 | 0 | 108.6 | A133 M134 I136 R150 D177 Y180 V191 F193 | A133-F152 CarbonylContact C-O 3.46Å; A133-F152 VanDerWaalsContact CA-O 3.3Å; A133-F152 WeakPolarHBondContact CA-O 3.48Å; M134-F152 HydrophobicContact CE-CD2 4.48Å; M134-F152 HydrophobicContact CG-CB 3.84Å; M134-F152 HydrophobicContact CG-CD2 4.24Å; M134-F152 HydrophobicContact CG-CG 4.41Å; M134-F152 PolarHBondContact N-O 3.23Å; M134-F152 PolarHBondContact O-N 3.04Å; M134-F152 VanDerWaalsContact O-O 3.09Å; I136-F152 HydrophobicContact CD1-CE2 3.68Å; I136-F152 HydrophobicContact CD1-CZ 4.31Å; I136-F152 HydrophobicContact CG1-CE2 4.12Å; R150-F152 HydrophobicContact CB-CE2 3.94Å; R150-F152 HydrophobicContact CB-CZ 4.23Å; R150-F152 HydrophobicContact CG-CD2 4.44Å; R150-F152 HydrophobicContact CG-CE1 4.41Å; R150-F152 HydrophobicContact CG-CE2 3.86Å; R150-F152 HydrophobicContact CG-CZ 3.86Å; F152-D177 WeakPolarHBondContact CA-O 3.46Å; F152-D177 HydrophobicContact CD1-CB 3.86Å; F152-D177 WeakPolarHBondContact CD1-O 3.45Å; F152-D177 HydrophobicContact CE1-CB 3.99Å; F152-Y180 HydrophobicContact CD1-CD2 4.12Å; F152-Y180 AromaticContact CE1-CD2 3.8Å; F152-Y180 HydrophobicContact CE1-CD2 3.8Å; F152-Y180 HydrophobicContact CE1-CG 4.42Å; F152-V191 HydrophobicContact CD1-CG1 4.38Å; F152-V191 HydrophobicContact CE1-CG1 4.24Å; F152-V191 HydrophobicContact CZ-CG1 4.31Å; F152-F193 HydrophobicContact CZ-CB 4.12Å; F152-F193 HydrophobicContact CZ-CD2 4.39Å |
| 153 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 152.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A132 A133 D155 F160 S178 S181 | A132-A153 CarbonylContact O-C 3.51Å; A132-A153 WeakPolarHBondContact O-CA 3.38Å; A133-A153 HydrophobicContact CB-CB 4.05Å; A153-D155 VanDerWaalsContact C-N 3.27Å; A153-D155 WeakPolarHBondContact CB-O 3.31Å; A153-F160 HydrophobicContact CB-CD2 3.9Å; A153-F160 HydrophobicContact CB-CE2 4.03Å; A153-S178 WeakPolarHBondContact O-CA 3.33Å; A153-S178 WeakPolarHBondContact O-CB 3.22Å; A153-S181 VanDerWaalsContact C-OG 3.25Å; A153-S181 WeakPolarHBondContact CA-OG 3.43Å; A153-S181 PolarHBondContact N-OG 3.46Å; A153-S181 VanDerWaalsContact N-OG 3.1Å; A153-S181 WeakPolarHBondContact O-CB 3.39Å; A153-S181 PolarHBondContact O-OG 3.33Å |
| 154 | Y | 92.4 | Very high | 91.9 | Very high | 133 Ų | 133 | 62.9 Ų | 62.9 | 52% | 0.522 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -68.7 | -33.3 | 172 | 177.8 | -94.9 | 0 | 0 | 0 | 111.1 | A132 F182 H227 | A132-Y154 PolarHBondContact O-N 3.21Å; Y154-F182 HydrophobicContact CD2-CD1 4.33Å; Y154-F182 HydrophobicContact CE2-CD1 4.1Å; Y154-H227 AromaticContact CD2-CE1 3.83Å; Y154-H227 AromaticContact CG-CE1 3.79Å |
| 155 | D | 91.3 | Very high | 91.8 | Very high | 76 Ų | 76 | 59 Ų | 59 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -131.2 | 106 | 168.7 | -174.6 | -32.7 | 0 | 0 | 0 | 107.1 | A153 A157 D158 S159 | A153-D155 VanDerWaalsContact C-N 3.27Å; A153-D155 WeakPolarHBondContact CB-O 3.31Å; D155-A157 PolarHBondContact OD1-N 2.96Å; D155-D158 HydrophobicContact CB-CB 4.1Å; D155-D158 PolarHBondContact OD1-N 3.12Å; D155-S159 WeakPolarHBondContact O-CB 3.32Å; D155-S159 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-OG 3.01Å |
| 156 | C | 92 | Very high | 91.2 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.9 | -34.8 | -179.5 | -75.8 | 0 | 0 | 0 | 0 | 112.1 | F160 E165 C176 | C156-F160 CarbonylContact O-C 3.35Å; C156-F160 VanDerWaalsContact O-C 3.23Å; C156-F160 WeakPolarHBondContact O-CA 3.42Å; C156-F160 PolarHBondContact O-N 3.16Å; C156-E165 HydrophobicContact CB-CB 4.2Å; C156-E165 HydrophobicContact CB-CG 4.36Å; C156-C176 HydrophobicContact CB-CB 3.72Å; C156-C176 WeakPolarHBondContact CB-SG 3.29Å; C156-C176 WeakPolarHBondContact SG-CB 3.49Å; C156-C176 CovalentContact SG-SG 2.04Å; C156-C176 PolarHBondContact SG-SG 3.39Å |
| 157 | A | 88.9 | Confident | 90.7 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 60% | 0.595 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.4 | -38.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D155 | D155-A157 PolarHBondContact OD1-N 2.96Å |
| 158 | D | 90.6 | Very high | 90.3 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -75.9 | -44.1 | 174.7 | 177.3 | 59 | 0 | 0 | 0 | 112.4 | D155 K225 | D155-D158 HydrophobicContact CB-CB 4.1Å; D155-D158 PolarHBondContact OD1-N 3.12Å; D158-K225 IonicContact OD2-NZ 2.67Å; D158-K225 PolarHBondContact OD2-NZ 3Å |
| 159 | S | 91.1 | Very high | 89.8 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -85.6 | -32.1 | -170.1 | -50 | 0 | 0 | 0 | 0 | 114.1 | D155 | D155-S159 WeakPolarHBondContact O-CB 3.32Å; D155-S159 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-OG 3.01Å |
| 160 | F | 93.5 | Very high | 89.5 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -139.4 | 63.2 | -177.9 | -60.7 | -60.4 | 0 | 0 | 0 | 110.9 | A133 M134 L135 Y151 A153 C156 G162 I163 | A133-F160 HydrophobicContact CB-CE2 3.99Å; A133-F160 HydrophobicContact CB-CZ 4.16Å; M134-F160 WeakPolarHBondContact O-CE2 3.48Å; L135-F160 HydrophobicContact CD2-CE1 4.17Å; L135-F160 HydrophobicContact CD2-CZ 4.19Å; Y151-F160 HydrophobicContact CD1-CB 4.25Å; Y151-F160 AromaticContact CD1-CD1 3.49Å; Y151-F160 HydrophobicContact CD1-CD1 3.49Å; Y151-F160 VanDerWaalsContact CD1-CD1 3.49Å; Y151-F160 AromaticContact CD1-CD2 3.78Å; Y151-F160 HydrophobicContact CD1-CD2 3.78Å; Y151-F160 AromaticContact CD1-CE1 3.65Å; Y151-F160 HydrophobicContact CD1-CE1 3.65Å; Y151-F160 AromaticContact CD1-CE2 3.91Å; Y151-F160 HydrophobicContact CD1-CE2 3.91Å; Y151-F160 AromaticContact CD1-CG 3.56Å; Y151-F160 HydrophobicContact CD1-CG 3.56Å; Y151-F160 AromaticContact CD1-CZ 3.85Å; Y151-F160 HydrophobicContact CD1-CZ 3.85Å; Y151-F160 AromaticContact CE1-CD1 3.78Å; Y151-F160 HydrophobicContact CE1-CD1 3.78Å; Y151-F160 HydrophobicContact CE1-CE1 4.01Å; Y151-F160 HydrophobicContact CE1-CG 4.22Å; Y151-F160 HydrophobicContact CG-CD2 4.16Å; Y151-F160 HydrophobicContact CG-CE2 4.48Å; Y151-F160 HydrophobicContact CG-CG 4.17Å; A153-F160 HydrophobicContact CB-CD2 3.9Å; A153-F160 HydrophobicContact CB-CE2 4.03Å; C156-F160 CarbonylContact O-C 3.35Å; C156-F160 VanDerWaalsContact O-C 3.23Å; C156-F160 WeakPolarHBondContact O-CA 3.42Å; C156-F160 PolarHBondContact O-N 3.16Å; F160-G162 PolarHBondContact O-N 2.99Å; F160-I163 HydrophobicContact CB-CB 4.41Å; F160-I163 HydrophobicContact CB-CG1 4.05Å; F160-I163 WeakPolarHBondContact O-CB 3.02Å; F160-I163 PolarHBondContact O-N 3.13Å |
| 161 | P | 91.7 | Very high | 89 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 134.5 | -174.7 | 23.4 | -34.6 | 0 | 0 | 0 | 112.2 | ||
| 162 | G | 86 | Confident | 88.6 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 87% | 0.866 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | -10.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F160 | F160-G162 PolarHBondContact O-N 2.99Š|
| 163 | I | 91.1 | Very high | 88.3 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -81.6 | 135.2 | 171.6 | -54.1 | -56.5 | 0 | 0 | 0 | 109.9 | Y151 F160 E165 C176 | Y151-I163 HydrophobicContact CD2-CB 4.48Å; Y151-I163 HydrophobicContact CD2-CD1 4.36Å; Y151-I163 HydrophobicContact CD2-CG1 4.05Å; Y151-I163 HydrophobicContact CD2-CG2 3.74Å; Y151-I163 HydrophobicContact CE2-CD1 3.76Å; Y151-I163 HydrophobicContact CE2-CG1 3.88Å; Y151-I163 HydrophobicContact CE2-CG2 4.21Å; Y151-I163 HydrophobicContact CG-CG2 4.42Å; F160-I163 HydrophobicContact CB-CB 4.41Å; F160-I163 HydrophobicContact CB-CG1 4.05Å; F160-I163 WeakPolarHBondContact O-CB 3.02Å; F160-I163 PolarHBondContact O-N 3.13Å; I163-E165 PolarHBondContact O-N 3.29Å; I163-C176 HydrophobicContact CB-CB 4.46Å; I163-C176 HydrophobicContact CG2-CB 3.89Å |
| 164 | F | 89.6 | Confident | 88.1 | Confident | 110 Ų | 110 | 73.3 Ų | 73.3 | 48% | 0.482 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 126.5 | 179.1 | 179.5 | -103.2 | 0 | 0 | 0 | 111.6 | V175 C176 | F164-V175 HydrophobicContact CD1-CG1 3.97Å; F164-V175 WeakPolarHBondContact O-CA 3.24Å; F164-C176 PolarHBondContact O-N 3.43Å |
| 165 | E | 86.4 | Confident | 88.1 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 121.7 | 170.9 | -177.6 | 169.6 | -169.8 | 0 | 0 | 110.2 | C156 I163 S178 | C156-E165 HydrophobicContact CB-CB 4.2Å; C156-E165 HydrophobicContact CB-CG 4.36Å; I163-E165 PolarHBondContact O-N 3.29Å; E165-S178 VanDerWaalsContact OE1-CB 3.28Å; E165-S178 WeakPolarHBondContact OE1-CB 3.32Å; E165-S178 PolarHBondContact OE1-OG 3.46Å |
| 166 | G | 78.2 | Confident | 88.3 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 153.6 | -167.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 167 | L | 81.8 | Confident | 88.2 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | trans | -79.5 | 140.2 | 169.2 | -65.9 | 172.9 | 0 | 0 | 0 | 109.7 | ||||
| 168 | P | 85.3 | Confident | 88.3 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.032 | 34% | 0.335 | C | S | . | . | trans | -65.3 | 148.6 | 172.6 | 29.6 | -34.9 | 0 | 0 | 0 | 110.4 | D173 V175 S197 H199 | P168-D173 HydrophobicContact CB-CB 3.83Å; P168-V175 HydrophobicContact CB-CG1 4.06Å; P168-V175 HydrophobicContact CB-CG2 4.48Å; P168-S197 VanDerWaalsContact CG-OG 3.29Å; P168-S197 WeakPolarHBondContact CG-OG 3.45Å; P168-H199 PolarHBondContact O-NE2 3.48Å | ||
| 169 | R | 84.1 | Confident | 88.2 | Confident | 202 Ų | 202 | 62.7 Ų | 62.7 | 76% | 0.762 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -97.3 | -31.3 | 179.5 | -58.2 | -178.6 | -177.6 | -176.8 | 1.4 | 112 | D173 | R169-D173 WeakPolarHBondContact CA-OD2 3.03Å; R169-D173 WeakPolarHBondContact CB-OD2 3.5Å; R169-D173 PolarHBondContact N-OD2 3.49Å |
| 170 | R | 85.8 | Confident | 88.2 | Confident | 147 Ų | 147 | 64.4 Ų | 64.4 | 56% | 0.555 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -117.3 | 160.1 | 169.2 | -60.5 | 174.1 | -63.3 | 166.8 | 7.2 | 110.1 | T172 D173 | R170-T172 PolarHBondContact O-N 3.36Å; R170-D173 IonicContact CZ-OD1 3.21Å; R170-D173 PolarHBondContact N-OD2 3.46Å; R170-D173 IonicContact NE-OD1 2.69Å; R170-D173 PolarHBondContact NE-OD1 3.27Å; R170-D173 IonicContact NH2-OD1 2.88Å; R170-D173 PolarHBondContact NH2-OD1 2.93Å; R170-D173 PolarHBondContact O-N 3.37Å |
| 171 | H | 84.6 | Confident | 88.1 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 13% | 0.13 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.9 | 175.6 | -70.4 | -80.5 | 0 | 0 | 0 | 112.9 | I200 I210 L213 | H171-I200 WeakPolarHBondContact NE2-CG2 3.48Å; H171-I210 HydrophobicContact CB-CD1 3.87Å; H171-L213 HydrophobicContact CB-CD1 3.74Å; H171-L213 WeakPolarHBondContact O-CD1 3.17Å |
| 172 | T | 86.3 | Confident | 88 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -6 | -179.4 | 44.4 | 0 | 0 | 0 | 0 | 115 | R170 V174 E209 L213 | R170-T172 PolarHBondContact O-N 3.36Å; T172-V174 PolarHBondContact O-N 3.44Å; T172-E209 HydrophobicContact CG2-CB 4.09Å; T172-E209 HydrophobicContact CG2-CG 4.41Å; T172-E209 WeakPolarHBondContact CG2-OE2 3.11Å; T172-E209 PolarHBondContact OG1-OE2 3.4Å; T172-L213 HydrophobicContact CG2-CD1 3.8Å; T172-L213 HydrophobicContact CG2-CG 4.26Å |
| 173 | D | 88.7 | Confident | 87.9 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -74.3 | 119.9 | -177.3 | -68.7 | -21 | 0 | 0 | 0 | 112.5 | P168 R169 R170 V175 | P168-D173 HydrophobicContact CB-CB 3.83Å; R169-D173 WeakPolarHBondContact CA-OD2 3.03Å; R169-D173 WeakPolarHBondContact CB-OD2 3.5Å; R169-D173 PolarHBondContact N-OD2 3.49Å; R170-D173 IonicContact CZ-OD1 3.21Å; R170-D173 PolarHBondContact N-OD2 3.46Å; R170-D173 IonicContact NE-OD1 2.69Å; R170-D173 PolarHBondContact NE-OD1 3.27Å; R170-D173 IonicContact NH2-OD1 2.88Å; R170-D173 PolarHBondContact NH2-OD1 2.93Å; R170-D173 PolarHBondContact O-N 3.37Å; D173-V175 HydrophobicContact CB-CG1 4.46Å; D173-V175 PolarHBondContact O-N 3.47Å | ||
| 174 | V | 91 | Very high | 87.4 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 38% | 0.382 | 31% | 0.307 | S | S | . | . | trans | -84.2 | 114.5 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | T148 Y151 T172 | T148-V174 HydrophobicContact CG2-CG1 4.21Å; T148-V174 WeakPolarHBondContact O-CG2 3.47Å; Y151-V174 HydrophobicContact CD2-CG1 3.84Å; Y151-V174 HydrophobicContact CE2-CG1 3.6Å; T172-V174 PolarHBondContact O-N 3.44Å | ||
| 175 | V | 93.2 | Very high | 87.3 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | trans | -123.3 | 165.5 | -175.3 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | Y151 F164 P168 D173 | Y151-V175 PolarHBondContact N-O 3.32Å; F164-V175 HydrophobicContact CD1-CG1 3.97Å; F164-V175 WeakPolarHBondContact O-CA 3.24Å; P168-V175 HydrophobicContact CB-CG1 4.06Å; P168-V175 HydrophobicContact CB-CG2 4.48Å; D173-V175 HydrophobicContact CB-CG1 4.46Å; D173-V175 PolarHBondContact O-N 3.47Å | ||
| 176 | C | 93.8 | Very high | 87 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -101.9 | 128.7 | 168 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | Y151 C156 I163 F164 | Y151-C176 CarbonylContact O-C 3.59Å; Y151-C176 WeakPolarHBondContact O-CA 3.43Å; C156-C176 HydrophobicContact CB-CB 3.72Å; C156-C176 WeakPolarHBondContact CB-SG 3.29Å; C156-C176 WeakPolarHBondContact SG-CB 3.49Å; C156-C176 CovalentContact SG-SG 2.04Å; C156-C176 PolarHBondContact SG-SG 3.39Å; I163-C176 HydrophobicContact CB-CB 4.46Å; I163-C176 HydrophobicContact CG2-CB 3.89Å; F164-C176 PolarHBondContact O-N 3.43Å |
| 177 | D | 91 | Very high | 87.4 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | trans | -117.6 | 105.3 | -174.8 | -169.5 | -18.2 | 0 | 0 | 0 | 110.8 | R150 Y151 F152 R179 | R150-D177 IonicContact NH1-OD2 2.72Å; Y151-D177 PolarHBondContact O-N 3.17Å; F152-D177 WeakPolarHBondContact CA-O 3.46Å; F152-D177 HydrophobicContact CD1-CB 3.86Å; F152-D177 WeakPolarHBondContact CD1-O 3.45Å; F152-D177 HydrophobicContact CE1-CB 3.99Å; D177-R179 VanDerWaalsContact C-N 3.34Å; D177-R179 WeakPolarHBondContact OD1-CB 3.49Å; D177-R179 WeakPolarHBondContact OD1-CG 3.33Å; D177-R179 IonicContact OD1-CZ 3.09Å; D177-R179 PolarHBondContact OD1-N 3.47Å; D177-R179 IonicContact OD1-NE 3.17Å; D177-R179 PolarHBondContact OD1-NE 2.91Å; D177-R179 IonicContact OD1-NH2 3.1Å; D177-R179 IonicContact OD2-CZ 3.99Å; D177-R179 IonicContact OD2-NE 2.7Å; D177-R179 PolarHBondContact OD2-NE 3.09Å; D177-R179 IonicContact OD2-NH2 2.72Å; D177-R179 PolarHBondContact OD2-NH2 3.48Å | ||
| 178 | S | 90.1 | Very high | 87.7 | Confident | 27 Ų | 27 | 56.1 Ų | 56.1 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -77.9 | -16 | -176.4 | 47 | 0 | 0 | 0 | 0 | 114.4 | A153 E165 Y180 S181 | A153-S178 WeakPolarHBondContact O-CA 3.33Å; A153-S178 WeakPolarHBondContact O-CB 3.22Å; E165-S178 VanDerWaalsContact OE1-CB 3.28Å; E165-S178 WeakPolarHBondContact OE1-CB 3.32Å; E165-S178 PolarHBondContact OE1-OG 3.46Å; S178-Y180 VanDerWaalsContact C-N 3.26Å; S178-Y180 PolarHBondContact O-N 3.32Å; S178-Y180 VanDerWaalsContact O-N 3.15Å; S178-S181 PolarHBondContact O-N 2.8Å; S178-S181 VanDerWaalsContact O-N 3.1Å |
| 179 | R | 89.4 | Confident | 87.8 | Confident | 123 Ų | 123 | 55.9 Ų | 55.9 | 46% | 0.464 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -62.5 | -28.5 | -172.4 | -59.2 | 176.3 | -65 | 175.4 | -0.5 | 114.2 | D177 F182 | D177-R179 VanDerWaalsContact C-N 3.34Å; D177-R179 WeakPolarHBondContact OD1-CB 3.49Å; D177-R179 WeakPolarHBondContact OD1-CG 3.33Å; D177-R179 IonicContact OD1-CZ 3.09Å; D177-R179 PolarHBondContact OD1-N 3.47Å; D177-R179 IonicContact OD1-NE 3.17Å; D177-R179 PolarHBondContact OD1-NE 2.91Å; D177-R179 IonicContact OD1-NH2 3.1Å; D177-R179 IonicContact OD2-CZ 3.99Å; D177-R179 IonicContact OD2-NE 2.7Å; D177-R179 PolarHBondContact OD2-NE 3.09Å; D177-R179 IonicContact OD2-NH2 2.72Å; D177-R179 PolarHBondContact OD2-NH2 3.48Å; R179-F182 WeakPolarHBondContact O-CD2 3.48Å |
| 180 | Y | 91.4 | Very high | 88.3 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -99.7 | 5.9 | -177.9 | -60.9 | -78.5 | 0 | 0 | 0 | 113.8 | R130 F152 S178 E190 V192 | R130-Y180 WeakPolarHBondContact CD-O 3.24Å; R130-Y180 VanDerWaalsContact CZ-O 3.3Å; R130-Y180 PolarHBondContact NE-O 2.82Å; R130-Y180 VanDerWaalsContact NE-O 3.15Å; F152-Y180 HydrophobicContact CD1-CD2 4.12Å; F152-Y180 AromaticContact CE1-CD2 3.8Å; F152-Y180 HydrophobicContact CE1-CD2 3.8Å; F152-Y180 HydrophobicContact CE1-CG 4.42Å; S178-Y180 VanDerWaalsContact C-N 3.26Å; S178-Y180 PolarHBondContact O-N 3.32Å; S178-Y180 VanDerWaalsContact O-N 3.15Å; Y180-E190 WeakPolarHBondContact CD1-O 3.2Å; Y180-V192 HydrophobicContact CE1-CB 3.95Å; Y180-V192 HydrophobicContact CE1-CG2 4.12Å |
| 181 | S | 91.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | trans | -110 | 1.4 | -174.7 | -49.6 | 0 | 0 | 0 | 0 | 113.8 | A153 S178 H227 | A153-S181 VanDerWaalsContact C-OG 3.25Å; A153-S181 WeakPolarHBondContact CA-OG 3.43Å; A153-S181 PolarHBondContact N-OG 3.46Å; A153-S181 VanDerWaalsContact N-OG 3.1Å; A153-S181 WeakPolarHBondContact O-CB 3.39Å; A153-S181 PolarHBondContact O-OG 3.33Å; S178-S181 PolarHBondContact O-N 2.8Å; S178-S181 VanDerWaalsContact O-N 3.1Å; S181-H227 PolarHBondContact O-NE2 2.04Å | ||
| 182 | F | 88.3 | Confident | 89.1 | Confident | 106 Ų | 106 | 43.9 Ų | 43.9 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | trans | -64 | 142.7 | 175.4 | -65.1 | -68.7 | 0 | 0 | 0 | 112.4 | R130 Y154 R179 A184 | R130-F182 PolarHBondContact NE-O 3.17Å; R130-F182 PolarHBondContact NH2-O 3.26Å; Y154-F182 HydrophobicContact CD2-CD1 4.33Å; Y154-F182 HydrophobicContact CE2-CD1 4.1Å; R179-F182 WeakPolarHBondContact O-CD2 3.48Å; F182-A184 VanDerWaalsContact C-N 3.25Å; F182-A184 PolarHBondContact O-N 3.48Å | ||
| 183 | V | 84.2 | Confident | 89.4 | Confident | 45 Ų | 45 | 41.9 Ų | 41.9 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -55.3 | -37 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | F129 P185 L229 | F129-V183 HydrophobicContact CD1-CG1 3.92Å; F129-V183 VanDerWaalsContact CD1-O 3.23Å; F129-V183 WeakPolarHBondContact CD1-O 3.3Å; F129-V183 HydrophobicContact CE1-CG1 3.8Å; V183-P185 CarbonylContact O-C 3.34Å; V183-L229 HydrophobicContact CG1-CD2 3.71Å |
| 184 | A | 80.4 | Confident | 89.5 | Confident | 72 Ų | 72 | 45.2 Ų | 45.2 | 60% | 0.595 | 25% | 0.251 | S | S | * | . | trans | -89.3 | 141.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R130 F182 | R130-A184 PolarHBondContact NH2-O 2.79Å; F182-A184 VanDerWaalsContact C-N 3.25Å; F182-A184 PolarHBondContact O-N 3.48Å | ||
| 185 | P | 87.6 | Confident | 89.5 | Confident | 63 Ų | 63 | 42.4 Ų | 42.4 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | S | Bend | cis | -79.2 | 158.2 | -4.6 | 35 | -36.5 | 0 | 0 | 0 | 112.6 | V183 T187 | V183-P185 CarbonylContact O-C 3.34Å; P185-T187 VanDerWaalsContact C-N 3.29Å; P185-T187 PolarHBondContact O-N 3.19Å |
| 186 | S | 80.6 | Confident | 89.3 | Confident | 48 Ų | 48 | 44.6 Ų | 44.6 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -75.7 | -12 | -176.9 | 55.9 | 0 | 0 | 0 | 0 | 115.2 | S128 F129 | S128-S186 CarbonylContact C-O 3.43Å; F129-S186 VanDerWaalsContact CE1-CB 3.44Å |
| 187 | T | 87.1 | Confident | 88.9 | Confident | 55 Ų | 55 | 44.8 Ų | 44.8 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -158.5 | 153.3 | 172.9 | -161.4 | 0 | 0 | 0 | 0 | 108 | K127 P185 G189 | K127-T187 VanDerWaalsContact O-CB 3.3Å; K127-T187 WeakPolarHBondContact O-CB 3Å; K127-T187 PolarHBondContact O-OG1 3.17Å; P185-T187 VanDerWaalsContact C-N 3.29Å; P185-T187 PolarHBondContact O-N 3.19Å; T187-G189 PolarHBondContact O-N 3.36Å |
| 188 | G | 87.4 | Confident | 88.4 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 69.3 | 16.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F126 | F126-G188 WeakPolarHBondContact O-CA 3.24Å; F126-G188 PolarHBondContact O-N 2.89Å |
| 189 | G | 88.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F126 T187 | F126-G189 WeakPolarHBondContact CB-O 3.03Å; F126-G189 PolarHBondContact N-O 3.03Å; T187-G189 PolarHBondContact O-N 3.36Å |
| 190 | E | 93.1 | Very high | 87.7 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 147.3 | -178.1 | -61.8 | -174.6 | 159.5 | 0 | 0 | 112.5 | M124 T125 R130 Y180 V192 | M124-E190 CarbonylContact O-C 3.57Å; M124-E190 VanDerWaalsContact O-CA 3.29Å; M124-E190 WeakPolarHBondContact O-CA 3.17Å; T125-E190 HydrophobicContact CG2-CG 4.14Å; T125-E190 PolarHBondContact OG1-OE1 3.18Å; R130-E190 WeakPolarHBondContact CD-O 3.49Å; R130-E190 PolarHBondContact NH1-O 3.43Å; Y180-E190 WeakPolarHBondContact CD1-O 3.2Å; E190-V192 HydrophobicContact CB-CG2 4.47Å |
| 191 | V | 93.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.1 | 163.3 | 179.5 | 0 | 0 | 0 | 0 | 107 | M124 F126 R130 M134 F152 | M124-V191 HydrophobicContact CE-CB 3.99Å; M124-V191 HydrophobicContact CE-CG1 3.91Å; M124-V191 PolarHBondContact N-O 3.01Å; M124-V191 PolarHBondContact O-N 3.11Å; F126-V191 HydrophobicContact CD2-CG2 4.17Å; F126-V191 HydrophobicContact CE2-CB 4.25Å; F126-V191 HydrophobicContact CE2-CG2 3.64Å; R130-V191 HydrophobicContact CB-CG2 4.42Å; R130-V191 HydrophobicContact CG-CG2 4.19Å; M134-V191 HydrophobicContact SD-CG1 4.22Å; M134-V191 HydrophobicContact SD-CG2 4.33Å; F152-V191 HydrophobicContact CD1-CG1 4.38Å; F152-V191 HydrophobicContact CE1-CG1 4.24Å; F152-V191 HydrophobicContact CZ-CG1 4.31Å |
| 192 | V | 93.1 | Very high | 86.5 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.2 | -177.2 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | L122 I123 Y180 E190 | L122-V192 WeakPolarHBondContact O-CA 3.41Å; I123-V192 HydrophobicContact CG1-CG1 4.35Å; I123-V192 HydrophobicContact CG1-CG2 4.38Å; Y180-V192 HydrophobicContact CE1-CB 3.95Å; Y180-V192 HydrophobicContact CE1-CG2 4.12Å; E190-V192 HydrophobicContact CB-CG2 4.47Å |
| 193 | F | 92.8 | Very high | 85.7 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.9 | 172.7 | 174.3 | -117.4 | 0 | 0 | 0 | 109.7 | F119 H121 L122 I136 Y149 R150 F152 V195 | F119-F193 HydrophobicContact CE1-CD1 4.09Å; F119-F193 AromaticContact CE1-CE1 3.96Å; F119-F193 HydrophobicContact CE1-CE1 3.96Å; F119-F193 HydrophobicContact CZ-CD1 4.22Å; H121-F193 CarbonylContact C-O 3.49Å; H121-F193 WeakPolarHBondContact CA-O 3.4Å; H121-F193 WeakPolarHBondContact CB-O 3.26Å; L122-F193 HydrophobicContact CB-CB 4.48Å; L122-F193 PolarHBondContact N-O 3.49Å; L122-F193 PolarHBondContact O-N 3.36Å; I136-F193 HydrophobicContact CD1-CB 3.58Å; I136-F193 HydrophobicContact CD1-CD1 3.96Å; I136-F193 HydrophobicContact CD1-CG 3.81Å; Y149-F193 HydrophobicContact CD1-CE1 4.01Å; Y149-F193 AromaticContact CD1-CZ 3.8Å; Y149-F193 HydrophobicContact CD1-CZ 3.8Å; Y149-F193 AromaticContact CD2-CE1 3.68Å; Y149-F193 HydrophobicContact CD2-CE1 3.68Å; Y149-F193 HydrophobicContact CD2-CZ 4.26Å; Y149-F193 HydrophobicContact CE2-CE1 4.18Å; Y149-F193 AromaticContact CG-CE1 3.57Å; Y149-F193 HydrophobicContact CG-CE1 3.57Å; Y149-F193 AromaticContact CG-CZ 3.66Å; Y149-F193 HydrophobicContact CG-CZ 3.66Å; R150-F193 HydrophobicContact CB-CD2 3.93Å; R150-F193 HydrophobicContact CB-CE2 3.82Å; F152-F193 HydrophobicContact CZ-CB 4.12Å; F152-F193 HydrophobicContact CZ-CD2 4.39Å; F193-V195 HydrophobicContact CE1-CG2 3.83Å; F193-V195 HydrophobicContact CZ-CG2 4.25Å |
| 194 | K | 91.8 | Very high | 85.1 | Confident | 103 Ų | 103 | 62.6 Ų | 62.6 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.7 | 170.1 | -61.6 | -174.9 | 175.7 | -172.9 | 0 | 107.7 | H121 P198 | H121-K194 HydrophobicContact CB-CB 4.49Å; H121-K194 HydrophobicContact CB-CG 4.06Å; K194-P198 HydrophobicContact CD-CG 4.47Å |
| 195 | V | 91 | Very high | 84.7 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -63.7 | -56.7 | 178.8 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | F119 T120 Y149 F193 L213 L214 | F119-V195 HydrophobicContact CD1-CG2 3.38Å; F119-V195 HydrophobicContact CE1-CG2 3.48Å; F119-V195 VanDerWaalsContact CE1-CG2 3.48Å; F119-V195 HydrophobicContact CG-CG2 4.3Å; F119-V195 HydrophobicContact CZ-CG2 4.45Å; F119-V195 WeakPolarHBondContact O-CG2 3.11Å; T120-V195 PolarHBondContact O-N 3.29Å; T120-V195 VanDerWaalsContact O-N 3.08Å; Y149-V195 HydrophobicContact CE1-CG1 4.05Å; Y149-V195 HydrophobicContact CE1-CG2 4.1Å; Y149-V195 HydrophobicContact CE2-CG2 4.47Å; F193-V195 HydrophobicContact CE1-CG2 3.83Å; F193-V195 HydrophobicContact CZ-CG2 4.25Å; V195-L213 HydrophobicContact CG1-CB 3.89Å; V195-L213 VanDerWaalsContact CG1-O 3.32Å; V195-L213 WeakPolarHBondContact CG1-O 3.16Å; V195-L214 HydrophobicContact CG1-CD2 4.16Å |
| 196 | L | 89.3 | Confident | 84 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -82.6 | 122.9 | 173.2 | -56.9 | -176.6 | 0 | 0 | 0 | 110.2 | L202 I210 L214 | L196-L202 HydrophobicContact CD1-CD1 4.4Å; L196-L202 HydrophobicContact CD1-CD2 4.06Å; L196-I210 HydrophobicContact CD2-CD1 3.88Å; L196-I210 HydrophobicContact CD2-CG2 4.25Å; L196-L214 HydrophobicContact CD1-CD2 4.26Å; L196-L214 HydrophobicContact CG-CD2 4.16Å |
| 197 | S | 84.8 | Confident | 84 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | trans | -76.5 | 119 | 178.9 | -71.9 | 0 | 0 | 0 | 0 | 110.2 | P168 H199 I200 | P168-S197 VanDerWaalsContact CG-OG 3.29Å; P168-S197 WeakPolarHBondContact CG-OG 3.45Å; S197-H199 VanDerWaalsContact CB-CE1 3.49Å; S197-H199 WeakPolarHBondContact CB-CE1 3.47Å; S197-H199 PolarHBondContact O-N 3.26Å; S197-I200 PolarHBondContact O-N 3.42Å | ||
| 198 | P | 80.4 | Confident | 83.5 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 70% | 0.695 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 8.1 | -170 | 32.7 | -38.7 | 0 | 0 | 0 | 114.7 | K194 | K194-P198 HydrophobicContact CD-CG 4.47Š|
| 199 | H | 80.1 | Confident | 83.2 | Confident | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 4.8 | 176.7 | 67 | -86.5 | 0 | 0 | 0 | 112.7 | P168 S197 | P168-H199 PolarHBondContact O-NE2 3.48Å; S197-H199 VanDerWaalsContact CB-CE1 3.49Å; S197-H199 WeakPolarHBondContact CB-CE1 3.47Å; S197-H199 PolarHBondContact O-N 3.26Å |
| 200 | I | 84.5 | Confident | 83.2 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -116.9 | 134.6 | 174.3 | -50.1 | 175.9 | 0 | 0 | 0 | 106.1 | H171 S197 | H171-I200 WeakPolarHBondContact NE2-CG2 3.48Å; S197-I200 PolarHBondContact O-N 3.42Å |
| 201 | E | 79.2 | Confident | 82.6 | Confident | 176 Ų | 176 | 65.9 Ų | 65.9 | 82% | 0.822 | 33% | 0.333 | S | S | * | . | trans | -78.1 | 139.4 | -179.9 | -168.7 | 160.8 | -163 | 0 | 0 | 110.1 | ||||
| 202 | L | 77.5 | Confident | 82.2 | Confident | 71 Ų | 71 | 67.8 Ų | 67.8 | 37% | 0.372 | 34% | 0.343 | S | S | . | . | trans | -103.8 | 103.5 | -175.9 | -174.5 | 73.1 | 0 | 0 | 0 | 108.8 | L196 P205 I210 | L196-L202 HydrophobicContact CD1-CD1 4.4Å; L196-L202 HydrophobicContact CD1-CD2 4.06Å; L202-P205 HydrophobicContact CD2-CB 4Å; L202-I210 HydrophobicContact CD1-CD1 3.53Å; L202-I210 HydrophobicContact CD1-CG1 3.73Å; L202-I210 HydrophobicContact CD1-CG2 4.14Å | ||
| 203 | E | 73.2 | Confident | 82 | Confident | 194 Ų | 194 | 67 Ų | 67 | 91% | 0.907 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -74.5 | -47.6 | -177.3 | -64.1 | 179.2 | 173 | 0 | 0 | 112.2 | ||
| 204 | D | 70.8 | Confident | 81.8 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | trans | -134.8 | 115.6 | 177.1 | 172.8 | 15.6 | 0 | 0 | 0 | 110.8 | Y206 S207 | D204-Y206 VanDerWaalsContact C-N 3.25Å; D204-Y206 PolarHBondContact O-N 2.68Å; D204-Y206 PolarHBondContact OD1-N 2.97Å; D204-S207 VanDerWaalsContact CG-N 3.34Å; D204-S207 PolarHBondContact O-OG 2.84Å; D204-S207 PolarHBondContact OD1-N 3.14Å; D204-S207 WeakPolarHBondContact OD2-CA 3.17Å; D204-S207 WeakPolarHBondContact OD2-CB 3.42Å; D204-S207 PolarHBondContact OD2-N 3Å | ||
| 205 | P | 71.8 | Confident | 81.8 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.1 | 178 | 30.7 | -35.9 | 0 | 0 | 0 | 114.3 | L202 I210 Q211 | L202-P205 HydrophobicContact CD2-CB 4Å; P205-I210 WeakPolarHBondContact O-CG2 3.34Å; P205-Q211 PolarHBondContact O-NE2 3.2Å |
| 206 | Y | 73.3 | Confident | 81.8 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 10% | 0.102 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -2.5 | -179 | -71.3 | -69.6 | 0 | 0 | 0 | 114.5 | Y22 D204 Q211 Y260 G261 P316 A317 I318 | Y22-Y206 WeakPolarHBondContact CE1-OH 3.44Å; Y22-Y206 PolarHBondContact OH-OH 2.87Å; D204-Y206 VanDerWaalsContact C-N 3.25Å; D204-Y206 PolarHBondContact O-N 2.68Å; D204-Y206 PolarHBondContact OD1-N 2.97Å; Y206-Q211 WeakPolarHBondContact O-CG 3.33Å; Y206-Y260 HydrophobicContact CD1-CD1 4.32Å; Y206-Y260 HydrophobicContact CE1-CD1 4.17Å; Y206-Y260 VanDerWaalsContact OH-C 3.3Å; Y206-Y260 PolarHBondContact OH-O 2.84Å; Y206-G261 PolarHBondContact OH-N 2.8Å; Y206-P316 HydrophobicContact CD1-CB 3.72Å; Y206-P316 HydrophobicContact CD1-CG 4.03Å; Y206-P316 HydrophobicContact CD2-CB 4.22Å; Y206-P316 HydrophobicContact CD2-CG 4.25Å; Y206-P316 HydrophobicContact CE1-CB 3.75Å; Y206-P316 HydrophobicContact CE2-CB 4.22Å; Y206-P316 HydrophobicContact CG-CB 3.94Å; Y206-P316 HydrophobicContact CG-CG 3.84Å; Y206-A317 WeakPolarHBondContact CE2-O 3.24Å; Y206-A317 PolarHBondContact OH-O 2.83Å; Y206-I318 HydrophobicContact CD2-CD1 4.1Å; Y206-I318 HydrophobicContact CD2-CG1 3.78Å; Y206-I318 HydrophobicContact CE2-CG1 3.89Å |
| 207 | S | 79.7 | Confident | 82 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -52.3 | 143 | 171.4 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | D204 E209 I210 Q211 | D204-S207 VanDerWaalsContact CG-N 3.34Å; D204-S207 PolarHBondContact O-OG 2.84Å; D204-S207 PolarHBondContact OD1-N 3.14Å; D204-S207 WeakPolarHBondContact OD2-CA 3.17Å; D204-S207 WeakPolarHBondContact OD2-CB 3.42Å; D204-S207 PolarHBondContact OD2-N 3Å; S207-E209 VanDerWaalsContact C-N 3.27Å; S207-E209 PolarHBondContact O-N 3.19Å; S207-I210 PolarHBondContact O-N 3.5Å; S207-I210 WeakPolarHBondContact OG-CG1 3.28Å; S207-Q211 PolarHBondContact O-N 2.9Å |
| 208 | E | 77.3 | Confident | 82.4 | Confident | 173 Ų | 173 | 65 Ų | 65 | 81% | 0.808 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -56.8 | -38.4 | -173 | -165.5 | -173.4 | 171.5 | 0 | 0 | 112.6 | I210 Q211 D212 | E208-I210 VanDerWaalsContact C-N 3.33Å; E208-I210 PolarHBondContact O-N 3.15Å; E208-Q211 PolarHBondContact O-N 2.66Å; E208-D212 WeakPolarHBondContact O-CB 3.11Å; E208-D212 PolarHBondContact O-N 3.41Å |
| 209 | E | 82.1 | Confident | 83.1 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 174.9 | -69.5 | -161 | -166.9 | 0 | 0 | 112.8 | T172 S207 L213 | T172-E209 HydrophobicContact CG2-CB 4.09Å; T172-E209 HydrophobicContact CG2-CG 4.41Å; T172-E209 WeakPolarHBondContact CG2-OE2 3.11Å; T172-E209 PolarHBondContact OG1-OE2 3.4Å; S207-E209 VanDerWaalsContact C-N 3.27Å; S207-E209 PolarHBondContact O-N 3.19Å; E209-L213 VanDerWaalsContact O-CG 3.28Å; E209-L213 WeakPolarHBondContact O-CG 3.31Å; E209-L213 PolarHBondContact O-N 2.03Å |
| 210 | I | 86.8 | Confident | 83.8 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.9 | -39.5 | -178.3 | -62.8 | -64.1 | 0 | 0 | 0 | 110.8 | H171 L196 L202 P205 S207 E208 L213 L214 | H171-I210 HydrophobicContact CB-CD1 3.87Å; L196-I210 HydrophobicContact CD2-CD1 3.88Å; L196-I210 HydrophobicContact CD2-CG2 4.25Å; L202-I210 HydrophobicContact CD1-CD1 3.53Å; L202-I210 HydrophobicContact CD1-CG1 3.73Å; L202-I210 HydrophobicContact CD1-CG2 4.14Å; P205-I210 WeakPolarHBondContact O-CG2 3.34Å; S207-I210 PolarHBondContact O-N 3.5Å; S207-I210 WeakPolarHBondContact OG-CG1 3.28Å; E208-I210 VanDerWaalsContact C-N 3.33Å; E208-I210 PolarHBondContact O-N 3.15Å; I210-L213 HydrophobicContact CD1-CD1 4.48Å; I210-L213 WeakPolarHBondContact O-CB 3.47Å; I210-L213 PolarHBondContact O-N 2.91Å; I210-L214 HydrophobicContact CG2-CD1 3.88Å; I210-L214 HydrophobicContact CG2-CG 4.32Å; I210-L214 WeakPolarHBondContact O-CG 3.37Å; I210-L214 PolarHBondContact O-N 3.41Å |
| 211 | Q | 82 | Confident | 84.4 | Confident | 21 Ų | 21 | 57 Ų | 57 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.5 | -70.1 | -62.3 | -48 | 0 | 0 | 111.8 | H118 P205 Y206 S207 E208 L213 L214 R215 | H118-Q211 PolarHBondContact NE2-OE1 3.43Å; P205-Q211 PolarHBondContact O-NE2 3.2Å; Y206-Q211 WeakPolarHBondContact O-CG 3.33Å; S207-Q211 PolarHBondContact O-N 2.9Å; E208-Q211 PolarHBondContact O-N 2.66Å; Q211-L213 VanDerWaalsContact C-N 3.27Å; Q211-L213 PolarHBondContact O-N 2.76Å; Q211-L214 PolarHBondContact O-N 2.9Å; Q211-R215 WeakPolarHBondContact O-CB 3.38Å; Q211-R215 PolarHBondContact O-N 3.3Å |
| 212 | D | 84.2 | Confident | 85.2 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 22% | 0.219 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -39.5 | 170.8 | -178.5 | 54.5 | 0 | 0 | 0 | 111.1 | R138 K147 E208 | R138-D212 IonicContact CZ-OD1 3.57Å; R138-D212 IonicContact CZ-OD2 3.69Å; R138-D212 PolarHBondContact NE-O 2.8Å; R138-D212 PolarHBondContact NH1-O 3.28Å; R138-D212 IonicContact NH1-OD1 2.73Å; R138-D212 PolarHBondContact NH1-OD1 2.04Å; R138-D212 IonicContact NH1-OD2 2.75Å; R138-D212 PolarHBondContact NH1-OD2 3.47Å; R138-D212 VanDerWaalsContact NH2-CG 3.27Å; R138-D212 PolarHBondContact NH2-O 3.39Å; R138-D212 VanDerWaalsContact NH2-O 3.1Å; R138-D212 IonicContact NH2-OD1 2.71Å; R138-D212 IonicContact NH2-OD2 3.79Å; R138-D212 PolarHBondContact NH2-OD2 3.4Å; K147-D212 IonicContact NZ-OD1 3.49Å; K147-D212 PolarHBondContact NZ-OD1 2.03Å; K147-D212 IonicContact NZ-OD2 2.65Å; K147-D212 PolarHBondContact NZ-OD2 3.09Å; E208-D212 WeakPolarHBondContact O-CB 3.11Å; E208-D212 PolarHBondContact O-N 3.41Å |
| 213 | L | 89.1 | Confident | 86.1 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 177 | -76.9 | 172.4 | 0 | 0 | 0 | 114 | Y149 H171 T172 V195 E209 I210 Q211 | Y149-L213 HydrophobicContact CE1-CD2 4.3Å; Y149-L213 WeakPolarHBondContact CE1-O 3.08Å; Y149-L213 PolarHBondContact OH-O 2.78Å; H171-L213 HydrophobicContact CB-CD1 3.74Å; H171-L213 WeakPolarHBondContact O-CD1 3.17Å; T172-L213 HydrophobicContact CG2-CD1 3.8Å; T172-L213 HydrophobicContact CG2-CG 4.26Å; V195-L213 HydrophobicContact CG1-CB 3.89Å; V195-L213 VanDerWaalsContact CG1-O 3.32Å; V195-L213 WeakPolarHBondContact CG1-O 3.16Å; E209-L213 VanDerWaalsContact O-CG 3.28Å; E209-L213 WeakPolarHBondContact O-CG 3.31Å; E209-L213 PolarHBondContact O-N 2.03Å; I210-L213 HydrophobicContact CD1-CD1 4.48Å; I210-L213 WeakPolarHBondContact O-CB 3.47Å; I210-L213 PolarHBondContact O-N 2.91Å; Q211-L213 VanDerWaalsContact C-N 3.27Å; Q211-L213 PolarHBondContact O-N 2.76Å |
| 214 | L | 90 | Very high | 87.1 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -80 | -34.1 | -177.4 | -69.3 | 174.5 | 0 | 0 | 0 | 113.1 | H118 F119 V195 L196 I210 Q211 V216 | H118-L214 WeakPolarHBondContact CA-O 3.34Å; F119-L214 PolarHBondContact N-O 2.8Å; F119-L214 WeakPolarHBondContact O-CD2 3.46Å; V195-L214 HydrophobicContact CG1-CD2 4.16Å; L196-L214 HydrophobicContact CD1-CD2 4.26Å; L196-L214 HydrophobicContact CG-CD2 4.16Å; I210-L214 HydrophobicContact CG2-CD1 3.88Å; I210-L214 HydrophobicContact CG2-CG 4.32Å; I210-L214 WeakPolarHBondContact O-CG 3.37Å; I210-L214 PolarHBondContact O-N 3.41Å; Q211-L214 PolarHBondContact O-N 2.9Å; L214-V216 PolarHBondContact O-N 3.2Å |
| 215 | R | 90.1 | Very high | 88.2 | Confident | 90 Ų | 90 | 39.6 Ų | 39.6 | 34% | 0.34 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 119.2 | -176.5 | 176.2 | 166.6 | 65.5 | 166.8 | 0.2 | 112.5 | E116 S140 Q211 | E116-R215 VanDerWaalsContact CD-CG 3.47Å; E116-R215 HydrophobicContact CG-CG 3.54Å; E116-R215 WeakPolarHBondContact OE1-CD 3.48Å; E116-R215 WeakPolarHBondContact OE2-CD 3.47Å; E116-R215 IonicContact OE2-NH1 3.42Å; S140-R215 PolarHBondContact OG-O 2.99Å; Q211-R215 WeakPolarHBondContact O-CB 3.38Å; Q211-R215 PolarHBondContact O-N 3.3Å |
| 216 | V | 91.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.4 | 173.9 | 73.5 | 0 | 0 | 0 | 0 | 112.9 | L113 F117 F119 R138 L214 N218 | L113-V216 HydrophobicContact CD1-CG1 4Å; F117-V216 HydrophobicContact CB-CG1 4.44Å; F117-V216 PolarHBondContact N-O 3.31Å; F117-V216 PolarHBondContact O-N 2.71Å; F119-V216 HydrophobicContact CB-CB 4.26Å; F119-V216 HydrophobicContact CB-CG1 3.44Å; F119-V216 VanDerWaalsContact CB-CG1 3.44Å; F119-V216 HydrophobicContact CG-CG1 4.33Å; R138-V216 HydrophobicContact CB-CG2 4.03Å; L214-V216 PolarHBondContact O-N 3.2Å; V216-N218 WeakPolarHBondContact CG2-O 3.38Å |
| 217 | T | 92.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -27.6 | 166.1 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | L113 S139 D141 F142 | L113-T217 WeakPolarHBondContact CA-O 3.19Å; L113-T217 WeakPolarHBondContact CB-O 3.46Å; L113-T217 WeakPolarHBondContact CG-O 3.44Å; L113-T217 PolarHBondContact N-O 3.42Å; S139-T217 PolarHBondContact O-N 3.49Å; S139-T217 PolarHBondContact O-OG1 3.1Å; S139-T217 PolarHBondContact OG-OG1 2.68Å; D141-T217 PolarHBondContact N-OG1 2.98Å; F142-T217 WeakPolarHBondContact CA-OG1 3.23Å; F142-T217 HydrophobicContact CD1-CG2 4.02Å; F142-T217 HydrophobicContact CD2-CG2 4.12Å; F142-T217 HydrophobicContact CE1-CG2 3.85Å; F142-T217 HydrophobicContact CE2-CG2 3.95Å; F142-T217 HydrophobicContact CG-CG2 4.16Å; F142-T217 HydrophobicContact CZ-CG2 3.81Å; F142-T217 PolarHBondContact N-OG1 3.39Å |
| 218 | N | 93.7 | Very high | 90.1 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 142 | 177.8 | -41.3 | 68.8 | 0 | 0 | 0 | 111.1 | L111 D112 R138 S139 F142 G143 W146 V216 | L111-N218 VanDerWaalsContact O-CA 3.3Å; L111-N218 WeakPolarHBondContact O-CA 3.38Å; D112-N218 PolarHBondContact OD1-ND2 3.05Å; R138-N218 WeakPolarHBondContact CA-O 3.4Å; S139-N218 PolarHBondContact N-O 3.32Å; S139-N218 PolarHBondContact O-N 2.72Å; F142-N218 VanDerWaalsContact CA-OD1 3.24Å; F142-N218 WeakPolarHBondContact CA-OD1 3.28Å; G143-N218 PolarHBondContact N-OD1 3.5Å; W146-N218 HydrophobicContact CH2-CB 3.56Å; W146-N218 HydrophobicContact CZ2-CB 4.19Å; W146-N218 HydrophobicContact CZ3-CB 4.22Å; V216-N218 WeakPolarHBondContact CG2-O 3.38Å |
| 219 | L | 95.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.3 | 176.1 | -168.3 | 73.9 | 0 | 0 | 0 | 109.7 | R110 L111 F119 L122 I136 Y149 V253 | R110-L219 WeakPolarHBondContact CA-O 3.44Å; L111-L219 HydrophobicContact CB-CB 4.49Å; L111-L219 PolarHBondContact N-O 2.83Å; L111-L219 PolarHBondContact O-N 3.04Å; F119-L219 HydrophobicContact CE1-CD1 4.15Å; F119-L219 HydrophobicContact CZ-CD1 4.43Å; F119-L219 HydrophobicContact CZ-CD2 4.36Å; L122-L219 HydrophobicContact CD2-CD2 4.47Å; I136-L219 HydrophobicContact CG2-CD1 3.89Å; I136-L219 HydrophobicContact CG2-CG 4.5Å; Y149-L219 HydrophobicContact CD2-CD1 4.31Å; Y149-L219 HydrophobicContact CE2-CD1 4.11Å; L219-V253 HydrophobicContact CD2-CG1 4.31Å; L219-V253 HydrophobicContact CD2-CG2 4.07Å |
| 220 | R | 95.2 | Very high | 90.2 | Very high | 60 Ų | 60 | 31.8 Ų | 31.8 | 23% | 0.226 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.9 | 178.2 | -178.7 | 170.3 | 71.5 | -153.4 | 5.3 | 110.3 | V109 E137 W146 N222 | V109-R220 WeakPolarHBondContact O-CA 3.49Å; E137-R220 HydrophobicContact CB-CB 4.46Å; E137-R220 PolarHBondContact N-O 3.46Å; E137-R220 PolarHBondContact O-N 3.47Å; E137-R220 IonicContact OE1-CZ 3.93Å; E137-R220 IonicContact OE1-NE 2.96Å; E137-R220 IonicContact OE1-NH2 3.58Å; E137-R220 PolarHBondContact OE1-NH2 3.37Å; E137-R220 IonicContact OE2-CZ 3.02Å; E137-R220 VanDerWaalsContact OE2-CZ 3.26Å; E137-R220 IonicContact OE2-NE 3.39Å; E137-R220 PolarHBondContact OE2-NE 2.78Å; E137-R220 IonicContact OE2-NH2 2.92Å; E137-R220 PolarHBondContact OE2-NH2 2.96Å; W146-R220 VanDerWaalsContact CD2-CZ 3.43Å; W146-R220 HydrophobicContact CE3-CB 3.87Å; W146-R220 VanDerWaalsContact CG-NH2 3.33Å; W146-R220 HydrophobicContact CH2-CB 3.76Å; W146-R220 HydrophobicContact CZ3-CB 3.26Å; W146-R220 HydrophobicContact CZ3-CG 4.44Å; R220-N222 WeakPolarHBondContact CG-OD1 3.48Å |
| 221 | I | 96.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118.2 | -178.8 | -58.9 | 153.8 | 0 | 0 | 0 | 106.6 | S108 V109 L122 M124 M134 F223 M251 | S108-I221 CarbonylContact C-O 3.22Å; S108-I221 WeakPolarHBondContact CA-O 3.38Å; V109-I221 PolarHBondContact N-O 2.76Å; V109-I221 PolarHBondContact O-N 2.86Å; L122-I221 HydrophobicContact CD2-CD1 3.81Å; L122-I221 HydrophobicContact CD2-CG1 4.12Å; M124-I221 HydrophobicContact CE-CG2 4.39Å; M124-I221 HydrophobicContact SD-CD1 3.9Å; M124-I221 HydrophobicContact SD-CG2 4.1Å; M134-I221 HydrophobicContact CE-CG2 3.58Å; I221-F223 HydrophobicContact CG2-CD1 4.23Å; I221-F223 HydrophobicContact CG2-CE1 3.49Å; I221-F223 VanDerWaalsContact CG2-CE1 3.49Å; I221-F223 HydrophobicContact CG2-CZ 3.68Å; I221-M251 HydrophobicContact CD1-CE 3.65Å; I221-M251 HydrophobicContact CD1-SD 3.88Å |
| 222 | N | 96.1 | Very high | 89.7 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 18% | 0.176 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.3 | -180 | -59.2 | -32 | 0 | 0 | 0 | 109.8 | S108 M134 L135 E137 R220 | S108-N222 VanDerWaalsContact CB-OD1 3.23Å; S108-N222 WeakPolarHBondContact CB-OD1 3.34Å; M134-N222 CarbonylContact C-O 2.99Å; M134-N222 WeakPolarHBondContact CA-O 3.4Å; M134-N222 VanDerWaalsContact CB-O 3.25Å; M134-N222 WeakPolarHBondContact CB-O 3.43Å; L135-N222 HydrophobicContact CD2-CB 3.79Å; L135-N222 HydrophobicContact CG-CB 4.12Å; L135-N222 PolarHBondContact N-O 2.89Å; L135-N222 PolarHBondContact O-N 2.8Å; E137-N222 PolarHBondContact OE2-ND2 2.77Å; R220-N222 WeakPolarHBondContact CG-OD1 3.48Å |
| 223 | F | 96.5 | Very high | 89 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.6 | 166.4 | -46.2 | -53.7 | 0 | 0 | 0 | 108.7 | W98 Q105 N106 V107 V109 M124 F126 P131 M134 I221 Y246 I248 | W98-F223 HydrophobicContact CH2-CD2 4.23Å; W98-F223 AromaticContact CH2-CE2 3.84Å; W98-F223 HydrophobicContact CH2-CE2 3.84Å; W98-F223 AromaticContact CZ3-CE2 3.81Å; W98-F223 HydrophobicContact CZ3-CE2 3.81Å; Q105-F223 CarbonylContact O-C 3.59Å; N106-F223 WeakPolarHBondContact CA-O 3.32Å; V107-F223 HydrophobicContact CB-CD2 4.2Å; V107-F223 HydrophobicContact CG1-CD2 4.35Å; V107-F223 PolarHBondContact N-O 3.49Å; V107-F223 WeakPolarHBondContact O-CA 3.24Å; V107-F223 WeakPolarHBondContact O-CB 3.3Å; V107-F223 WeakPolarHBondContact O-CD2 3.01Å; V107-F223 PolarHBondContact O-N 3.04Å; V109-F223 HydrophobicContact CG2-CE2 4.05Å; M124-F223 HydrophobicContact SD-CZ 4.49Å; F126-F223 HydrophobicContact CE1-CE1 4.29Å; F126-F223 HydrophobicContact CE1-CZ 4.32Å; F126-F223 AromaticContact CZ-CE1 3.86Å; F126-F223 HydrophobicContact CZ-CE1 3.86Å; F126-F223 HydrophobicContact CZ-CZ 4.1Å; P131-F223 HydrophobicContact CB-CD1 4.23Å; P131-F223 HydrophobicContact CG-CB 4.5Å; P131-F223 HydrophobicContact CG-CD1 3.41Å; P131-F223 VanDerWaalsContact CG-CD1 3.41Å; P131-F223 HydrophobicContact CG-CE1 3.9Å; P131-F223 HydrophobicContact CG-CG 4.16Å; M134-F223 HydrophobicContact CB-CD1 3.88Å; M134-F223 HydrophobicContact CE-CD1 4.3Å; M134-F223 HydrophobicContact CE-CE1 3.94Å; M134-F223 HydrophobicContact SD-CD1 4.1Å; M134-F223 HydrophobicContact SD-CE1 3.99Å; I221-F223 HydrophobicContact CG2-CD1 4.23Å; I221-F223 HydrophobicContact CG2-CE1 3.49Å; I221-F223 VanDerWaalsContact CG2-CE1 3.49Å; I221-F223 HydrophobicContact CG2-CZ 3.68Å; F223-Y246 HydrophobicContact CB-CD1 4.22Å; F223-Y246 HydrophobicContact CB-CD2 4.15Å; F223-Y246 HydrophobicContact CB-CE1 3.76Å; F223-Y246 HydrophobicContact CB-CE2 3.68Å; F223-Y246 HydrophobicContact CB-CG 4.39Å; F223-Y246 VanDerWaalsContact CB-CZ 3.44Å; F223-Y246 HydrophobicContact CD2-CD1 4.45Å; F223-Y246 HydrophobicContact CD2-CD2 4.2Å; F223-Y246 HydrophobicContact CD2-CG 4.13Å; F223-Y246 HydrophobicContact CG-CD1 4.25Å; F223-Y246 HydrophobicContact CG-CD2 4.46Å; F223-Y246 HydrophobicContact CG-CE1 4.25Å; F223-Y246 HydrophobicContact CG-CE2 4.44Å; F223-Y246 HydrophobicContact CG-CG 4.34Å; F223-I248 HydrophobicContact CE2-CD1 4.25Å; F223-I248 HydrophobicContact CZ-CD1 3.85Å |
| 224 | T | 94.3 | Very high | 88.3 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | -18.6 | -171.9 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | N106 A133 L135 | N106-T224 PolarHBondContact OD1-O 2.87Å; A133-T224 VanDerWaalsContact C-OG1 3.32Å; A133-T224 WeakPolarHBondContact CB-OG1 3.49Å; A133-T224 PolarHBondContact O-N 3.44Å; A133-T224 PolarHBondContact O-OG1 2.8Å; L135-T224 HydrophobicContact CD2-CG2 3.98Å |
| 225 | K | 93.1 | Very high | 87.5 | Confident | 68 Ų | 68 | 44.6 Ų | 44.6 | 30% | 0.296 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 134.2 | -178.1 | -155.9 | 167.6 | -179.1 | 171.6 | 0 | 111.7 | A132 A133 D158 Y246 | A132-K225 HydrophobicContact CB-CB 4.13Å; A132-K225 HydrophobicContact CB-CG 4.2Å; A132-K225 WeakPolarHBondContact CB-O 3.34Å; A132-K225 PolarHBondContact N-O 2.9Å; A133-K225 HydrophobicContact CB-CB 3.7Å; A133-K225 HydrophobicContact CB-CD 4.42Å; A133-K225 PolarHBondContact N-O 3.11Å; A133-K225 PolarHBondContact O-N 2.84Å; D158-K225 IonicContact OD2-NZ 2.67Å; D158-K225 PolarHBondContact OD2-NZ 3Å; K225-Y246 PolarHBondContact N-OH 2.82Å; K225-Y246 PolarHBondContact O-OH 3.06Å |
| 226 | L | 91.3 | Very high | 86.7 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | trans | -92.8 | 148.1 | 175.7 | -77.9 | 164.7 | 0 | 0 | 0 | 111.1 | Q105 T228 L233 Y246 | Q105-L226 HydrophobicContact CG-CB 4.36Å; Q105-L226 HydrophobicContact CG-CD1 4.16Å; Q105-L226 HydrophobicContact CG-CG 4.34Å; L226-T228 PolarHBondContact O-N 3.35Å; L226-L233 HydrophobicContact CB-CD1 4.48Å; L226-L233 HydrophobicContact CD1-CD1 4.36Å; L226-Y246 HydrophobicContact CD2-CD1 3.76Å; L226-Y246 HydrophobicContact CD2-CD2 4.14Å; L226-Y246 HydrophobicContact CD2-CE1 3.44Å; L226-Y246 VanDerWaalsContact CD2-CE1 3.44Å; L226-Y246 HydrophobicContact CD2-CE2 3.87Å; L226-Y246 HydrophobicContact CD2-CG 4.1Å; L226-Y246 HydrophobicContact CG-CE1 4.05Å; L226-Y246 HydrophobicContact CG-CE2 4.03Å | ||
| 227 | H | 89.8 | Confident | 86.1 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | trans | -76.6 | 115.1 | 165.5 | -85.3 | -54.3 | 0 | 0 | 0 | 110.2 | F129 R130 Y154 S181 Y244 | F129-H227 HydrophobicContact CB-CB 4.38Å; R130-H227 PolarHBondContact O-CD2 3.06Å; Y154-H227 AromaticContact CD2-CE1 3.83Å; Y154-H227 AromaticContact CG-CE1 3.79Å; S181-H227 PolarHBondContact O-NE2 2.04Å; H227-Y244 WeakPolarHBondContact O-CD1 3.17Å; H227-Y244 WeakPolarHBondContact O-CE1 3.17Å | ||
| 228 | T | 84.3 | Confident | 85.2 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | trans | -103.8 | 0.7 | -174.4 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | L226 G230 D231 L233 Y244 | L226-T228 PolarHBondContact O-N 3.35Å; T228-G230 PolarHBondContact O-N 3.02Å; T228-D231 WeakPolarHBondContact CB-O 3.46Å; T228-D231 WeakPolarHBondContact O-CB 2.71Å; T228-D231 PolarHBondContact O-N 3.19Å; T228-D231 PolarHBondContact OG1-O 3.27Å; T228-L233 HydrophobicContact CG2-CD1 3.69Å; T228-L233 HydrophobicContact CG2-CD2 4.43Å; T228-L233 HydrophobicContact CG2-CG 3.73Å; T228-Y244 VanDerWaalsContact O-CZ 3.29Å; T228-Y244 PolarHBondContact O-OH 3.06Å | ||
| 229 | L | 82.6 | Confident | 84.2 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 24.7 | 178.5 | -53.8 | 178.7 | 0 | 0 | 0 | 115.3 | V53 F129 V183 Y244 | V53-L229 HydrophobicContact CG1-CD1 3.78Å; F129-L229 HydrophobicContact CE2-CD1 3.91Å; F129-L229 HydrophobicContact CE2-CG 4.38Å; F129-L229 HydrophobicContact CZ-CD1 3.86Å; F129-L229 HydrophobicContact CZ-CD2 4.35Å; F129-L229 HydrophobicContact CZ-CG 4.48Å; V183-L229 HydrophobicContact CG1-CD2 3.71Å; L229-Y244 HydrophobicContact CG-CE1 4.5Å |
| 230 | G | 77.9 | Confident | 83.5 | Confident | 77 Ų | 77 | 61 Ų | 61 | 79% | 0.794 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -9.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T228 | T228-G230 PolarHBondContact O-N 3.02Š|
| 231 | D | 80.5 | Confident | 82.8 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | trans | -68.2 | 146.7 | 166.5 | -73.4 | -31.2 | 0 | 0 | 0 | 109.7 | T228 I240 K243 Y244 | T228-D231 WeakPolarHBondContact CB-O 3.46Å; T228-D231 WeakPolarHBondContact O-CB 2.71Å; T228-D231 PolarHBondContact O-N 3.19Å; T228-D231 PolarHBondContact OG1-O 3.27Å; D231-I240 HydrophobicContact CB-CG2 4.04Å; D231-K243 IonicContact OD2-NZ 3.64Å; D231-K243 PolarHBondContact OD2-NZ 3.22Å; D231-Y244 HydrophobicContact CB-CE2 3.76Å; D231-Y244 WeakPolarHBondContact OD2-CE2 3.41Å; D231-Y244 PolarHBondContact OD2-OH 3.27Å | ||
| 232 | N | 77.9 | Confident | 82.4 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | trans | -97.4 | 120 | 176.5 | -174.4 | -7 | 0 | 0 | 0 | 110.2 | L234 D235 | N232-L234 PolarHBondContact O-N 3.25Å; N232-L234 WeakPolarHBondContact OD1-CB 3.4Å; N232-L234 WeakPolarHBondContact OD1-CG 3.33Å; N232-L234 PolarHBondContact OD1-N 3.03Å; N232-D235 VanDerWaalsContact O-CB 3.29Å; N232-D235 WeakPolarHBondContact O-CB 3.4Å; N232-D235 PolarHBondContact O-N 3.22Å | ||
| 233 | L | 70.7 | Confident | 81.8 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 17% | 0.173 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12 | 178.5 | -69.7 | 174.4 | 0 | 0 | 0 | 114.1 | Q105 L226 T228 D235 Y244 | Q105-L233 HydrophobicContact CG-CD1 3.86Å; L226-L233 HydrophobicContact CB-CD1 4.48Å; L226-L233 HydrophobicContact CD1-CD1 4.36Å; T228-L233 HydrophobicContact CG2-CD1 3.69Å; T228-L233 HydrophobicContact CG2-CD2 4.43Å; T228-L233 HydrophobicContact CG2-CG 3.73Å; L233-D235 PolarHBondContact O-N 3.47Å; L233-Y244 HydrophobicContact CD2-CD2 3.73Å; L233-Y244 HydrophobicContact CD2-CG 4.19Å |
| 234 | L | 73.4 | Confident | 81.5 | Confident | 148 Ų | 148 | 61.1 Ų | 61.1 | 78% | 0.775 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.3 | 168.5 | -60.9 | 171.8 | 0 | 0 | 0 | 112.5 | N232 N236 | N232-L234 PolarHBondContact O-N 3.25Å; N232-L234 WeakPolarHBondContact OD1-CB 3.4Å; N232-L234 WeakPolarHBondContact OD1-CG 3.33Å; N232-L234 PolarHBondContact OD1-N 3.03Å; L234-N236 PolarHBondContact O-N 2.98Å |
| 235 | D | 74 | Confident | 81.4 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | trans | -83.7 | 95.7 | 172 | -167.1 | -25.8 | 0 | 0 | 0 | 110.2 | N232 L233 R237 I240 | N232-D235 VanDerWaalsContact O-CB 3.29Å; N232-D235 WeakPolarHBondContact O-CB 3.4Å; N232-D235 PolarHBondContact O-N 3.22Å; L233-D235 PolarHBondContact O-N 3.47Å; D235-R237 PolarHBondContact O-N 3.14Å; D235-R237 VanDerWaalsContact OD1-CB 3.28Å; D235-R237 WeakPolarHBondContact OD1-CB 2.95Å; D235-R237 WeakPolarHBondContact OD1-CG 3.5Å; D235-R237 IonicContact OD1-CZ 3.37Å; D235-R237 PolarHBondContact OD1-N 2.99Å; D235-R237 IonicContact OD1-NE 3.92Å; D235-R237 PolarHBondContact OD1-NE 2.87Å; D235-R237 IonicContact OD2-CZ 3.43Å; D235-R237 VanDerWaalsContact OD2-CZ 3.24Å; D235-R237 IonicContact OD2-NE 2.68Å; D235-R237 PolarHBondContact OD2-NE 2.97Å; D235-R237 IonicContact OD2-NH2 2.67Å; D235-R237 PolarHBondContact OD2-NH2 3.43Å; D235-I240 HydrophobicContact CB-CD1 3.73Å; D235-I240 VanDerWaalsContact CG-CD1 3.45Å; D235-I240 VanDerWaalsContact OD2-CD1 3.29Å; D235-I240 WeakPolarHBondContact OD2-CD1 3.21Å | ||
| 236 | N | 73.5 | Confident | 81.5 | Confident | 138 Ų | 138 | 56.7 Ų | 56.7 | 74% | 0.738 | 31% | 0.308 | S | S | * | . | trans | -66.2 | 4.4 | -177.6 | -70.3 | -34.7 | 0 | 0 | 0 | 114.9 | L234 | L234-N236 PolarHBondContact O-N 2.98Š| ||
| 237 | R | 78 | Confident | 81.7 | Confident | 136 Ų | 136 | 56.1 Ų | 56.1 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | trans | -59.8 | 132.4 | 176.6 | -79 | -175.6 | -65.4 | 161.8 | 0.2 | 111.2 | D235 E239 I240 T241 | D235-R237 PolarHBondContact O-N 3.14Å; D235-R237 VanDerWaalsContact OD1-CB 3.28Å; D235-R237 WeakPolarHBondContact OD1-CB 2.95Å; D235-R237 WeakPolarHBondContact OD1-CG 3.5Å; D235-R237 IonicContact OD1-CZ 3.37Å; D235-R237 PolarHBondContact OD1-N 2.99Å; D235-R237 IonicContact OD1-NE 3.92Å; D235-R237 PolarHBondContact OD1-NE 2.87Å; D235-R237 IonicContact OD2-CZ 3.43Å; D235-R237 VanDerWaalsContact OD2-CZ 3.24Å; D235-R237 IonicContact OD2-NE 2.68Å; D235-R237 PolarHBondContact OD2-NE 2.97Å; D235-R237 IonicContact OD2-NH2 2.67Å; D235-R237 PolarHBondContact OD2-NH2 3.43Å; R237-E239 PolarHBondContact O-N 2.91Å; R237-E239 VanDerWaalsContact O-N 3.12Å; R237-I240 PolarHBondContact O-N 3.3Å; R237-T241 PolarHBondContact O-N 3.45Å; R237-T241 VanDerWaalsContact O-N 3.1Å; R237-T241 PolarHBondContact O-OG1 3.26Å | ||
| 238 | P | 75.1 | Confident | 81.9 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54 | -34 | 177.1 | -26.5 | 34.9 | 0 | 0 | 0 | 112.9 | I240 E242 | P238-I240 PolarHBondContact O-N 3.32Å; P238-I240 VanDerWaalsContact O-N 3.07Å; P238-E242 HydrophobicContact CB-CG 4.28Å; P238-E242 WeakPolarHBondContact O-CB 3.14Å; P238-E242 WeakPolarHBondContact O-CG 3.43Å; P238-E242 PolarHBondContact O-N 2.66Å |
| 239 | E | 72.3 | Confident | 82.3 | Confident | 100 Ų | 100 | 55.4 Ų | 55.4 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.1 | -11.1 | 178.9 | -59 | 88.7 | 164.2 | 0 | 0 | 114.8 | R237 K243 | R237-E239 PolarHBondContact O-N 2.91Å; R237-E239 VanDerWaalsContact O-N 3.12Å; E239-K243 WeakPolarHBondContact O-CE 3.21Å |
| 240 | I | 79.8 | Confident | 82.7 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -107.5 | -53.6 | 174.3 | -71.9 | 166.5 | 0 | 0 | 0 | 109.6 | D231 D235 R237 P238 E242 K243 Y244 | D231-I240 HydrophobicContact CB-CG2 4.04Å; D235-I240 HydrophobicContact CB-CD1 3.73Å; D235-I240 VanDerWaalsContact CG-CD1 3.45Å; D235-I240 VanDerWaalsContact OD2-CD1 3.29Å; D235-I240 WeakPolarHBondContact OD2-CD1 3.21Å; R237-I240 PolarHBondContact O-N 3.3Å; P238-I240 PolarHBondContact O-N 3.32Å; P238-I240 VanDerWaalsContact O-N 3.07Å; I240-E242 PolarHBondContact O-N 3.02Å; I240-K243 PolarHBondContact O-N 3.2Å; I240-Y244 HydrophobicContact CG2-CD2 4.47Å; I240-Y244 HydrophobicContact CG2-CE2 4.22Å; I240-Y244 VanDerWaalsContact O-CD2 3.25Å; I240-Y244 WeakPolarHBondContact O-CD2 3.1Å |
| 241 | T | 81.5 | Confident | 83.4 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 18% | 0.184 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -36.3 | -174.9 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | N102 R237 K243 Y244 | N102-T241 WeakPolarHBondContact CB-O 3.43Å; R237-T241 PolarHBondContact O-N 3.45Å; R237-T241 VanDerWaalsContact O-N 3.1Å; R237-T241 PolarHBondContact O-OG1 3.26Å; T241-K243 PolarHBondContact O-N 3.29Å; T241-Y244 PolarHBondContact O-N 3.48Å |
| 242 | E | 87.5 | Confident | 84 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.8 | 178.9 | -69.5 | 178.6 | 175.5 | 0 | 0 | 114.5 | R49 C51 P238 I240 | R49-E242 VanDerWaalsContact CD-OE1 3.28Å; R49-E242 WeakPolarHBondContact CD-OE1 3.49Å; R49-E242 IonicContact CZ-OE1 2.72Å; R49-E242 IonicContact CZ-OE2 2.76Å; R49-E242 VanDerWaalsContact CZ-OE2 3.23Å; R49-E242 VanDerWaalsContact NE-CD 3.26Å; R49-E242 IonicContact NE-OE1 3.5Å; R49-E242 PolarHBondContact NE-OE1 3.36Å; R49-E242 IonicContact NE-OE2 3.84Å; R49-E242 PolarHBondContact NE-OE2 2.95Å; R49-E242 IonicContact NH2-OE1 3.74Å; R49-E242 IonicContact NH2-OE2 3.32Å; R49-E242 PolarHBondContact NH2-OE2 3.5Å; C51-E242 PolarHBondContact N-O 3.15Å; C51-E242 PolarHBondContact SG-OE2 3.13Å; P238-E242 HydrophobicContact CB-CG 4.28Å; P238-E242 WeakPolarHBondContact O-CB 3.14Å; P238-E242 WeakPolarHBondContact O-CG 3.43Å; P238-E242 PolarHBondContact O-N 2.66Å; I240-E242 PolarHBondContact O-N 3.02Å |
| 243 | K | 84.2 | Confident | 84.7 | Confident | 43 Ų | 43 | 42.8 Ų | 42.8 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -24.8 | -179 | -59.5 | 179 | -166.5 | 151 | 0 | 114.6 | V53 D231 E239 I240 T241 | V53-K243 HydrophobicContact CG2-CB 3.98Å; V53-K243 HydrophobicContact CG2-CG 4.5Å; D231-K243 IonicContact OD2-NZ 3.64Å; D231-K243 PolarHBondContact OD2-NZ 3.22Å; E239-K243 WeakPolarHBondContact O-CE 3.21Å; I240-K243 PolarHBondContact O-N 3.2Å; T241-K243 PolarHBondContact O-N 3.29Å |
| 244 | Y | 89.8 | Confident | 85.7 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | trans | -114.2 | 112.5 | -163.3 | -60.8 | -59.9 | 0 | 0 | 0 | 110.7 | N102 G103 H227 T228 L229 D231 L233 I240 T241 | N102-Y244 CarbonylContact C-O 3.46Å; G103-Y244 PolarHBondContact N-O 3.24Å; H227-Y244 WeakPolarHBondContact O-CD1 3.17Å; H227-Y244 WeakPolarHBondContact O-CE1 3.17Å; T228-Y244 VanDerWaalsContact O-CZ 3.29Å; T228-Y244 PolarHBondContact O-OH 3.06Å; L229-Y244 HydrophobicContact CG-CE1 4.5Å; D231-Y244 HydrophobicContact CB-CE2 3.76Å; D231-Y244 WeakPolarHBondContact OD2-CE2 3.41Å; D231-Y244 PolarHBondContact OD2-OH 3.27Å; L233-Y244 HydrophobicContact CD2-CD2 3.73Å; L233-Y244 HydrophobicContact CD2-CG 4.19Å; I240-Y244 HydrophobicContact CG2-CD2 4.47Å; I240-Y244 HydrophobicContact CG2-CE2 4.22Å; I240-Y244 VanDerWaalsContact O-CD2 3.25Å; I240-Y244 WeakPolarHBondContact O-CD2 3.1Å; T241-Y244 PolarHBondContact O-N 3.48Å | ||
| 245 | Y | 92.8 | Very high | 86.6 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | trans | -161.7 | 159.1 | -179.4 | 48 | -96.7 | 0 | 0 | 0 | 108.8 | Y50 C51 Q99 S128 A247 | Y50-Y245 HydrophobicContact CD2-CE1 4.07Å; Y50-Y245 AromaticContact CD2-CZ 3.86Å; Y50-Y245 HydrophobicContact CG-CE1 4.46Å; C51-Y245 PolarHBondContact O-OH 3.45Å; Q99-Y245 HydrophobicContact CG-CD2 3.71Å; Q99-Y245 HydrophobicContact CG-CE2 4.23Å; Q99-Y245 HydrophobicContact CG-CG 4.18Å; S128-Y245 VanDerWaalsContact CB-O 3.32Å; S128-Y245 WeakPolarHBondContact CB-O 3.18Å; Y245-A247 HydrophobicContact CD2-CB 4.05Å; Y245-A247 HydrophobicContact CE2-CB 4.08Å | ||
| 246 | Y | 95 | Very high | 87.4 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | trans | -85.9 | 136.6 | 166.6 | -54.7 | -73.2 | 0 | 0 | 0 | 109.2 | Q99 S100 L104 Q105 V107 P131 F223 K225 L226 | Q99-Y246 CarbonylContact C-O 3.51Å; Q99-Y246 WeakPolarHBondContact CA-O 3.39Å; S100-Y246 PolarHBondContact N-O 2.82Å; S100-Y246 PolarHBondContact OG-N 3.15Å; L104-Y246 WeakPolarHBondContact O-CE2 3.18Å; Q105-Y246 VanDerWaalsContact O-CE2 3.24Å; Q105-Y246 WeakPolarHBondContact O-CE2 3.04Å; Q105-Y246 PolarHBondContact O-OH 3.28Å; V107-Y246 HydrophobicContact CB-CD2 3.99Å; V107-Y246 HydrophobicContact CB-CE2 4.11Å; V107-Y246 HydrophobicContact CG2-CD2 3.86Å; V107-Y246 HydrophobicContact CG2-CE2 3.93Å; P131-Y246 HydrophobicContact CB-CD1 4.48Å; P131-Y246 HydrophobicContact CB-CE1 3.86Å; P131-Y246 HydrophobicContact CG-CD1 4.06Å; P131-Y246 HydrophobicContact CG-CE1 3.92Å; F223-Y246 HydrophobicContact CB-CD1 4.22Å; F223-Y246 HydrophobicContact CB-CD2 4.15Å; F223-Y246 HydrophobicContact CB-CE1 3.76Å; F223-Y246 HydrophobicContact CB-CE2 3.68Å; F223-Y246 HydrophobicContact CB-CG 4.39Å; F223-Y246 VanDerWaalsContact CB-CZ 3.44Å; F223-Y246 HydrophobicContact CD2-CD1 4.45Å; F223-Y246 HydrophobicContact CD2-CD2 4.2Å; F223-Y246 HydrophobicContact CD2-CG 4.13Å; F223-Y246 HydrophobicContact CG-CD1 4.25Å; F223-Y246 HydrophobicContact CG-CD2 4.46Å; F223-Y246 HydrophobicContact CG-CE1 4.25Å; F223-Y246 HydrophobicContact CG-CE2 4.44Å; F223-Y246 HydrophobicContact CG-CG 4.34Å; K225-Y246 PolarHBondContact N-OH 2.82Å; K225-Y246 PolarHBondContact O-OH 3.06Å; L226-Y246 HydrophobicContact CD2-CD1 3.76Å; L226-Y246 HydrophobicContact CD2-CD2 4.14Å; L226-Y246 HydrophobicContact CD2-CE1 3.44Å; L226-Y246 VanDerWaalsContact CD2-CE1 3.44Å; L226-Y246 HydrophobicContact CD2-CE2 3.87Å; L226-Y246 HydrophobicContact CD2-CG 4.1Å; L226-Y246 HydrophobicContact CG-CE1 4.05Å; L226-Y246 HydrophobicContact CG-CE2 4.03Å | ||
| 247 | A | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 135.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W98 Q99 F126 K127 S128 Y245 | W98-A247 CarbonylContact O-C 3.6Å; W98-A247 WeakPolarHBondContact O-CA 3.13Å; W98-A247 WeakPolarHBondContact O-CB 3.01Å; Q99-A247 HydrophobicContact CB-CB 4.07Å; Q99-A247 HydrophobicContact CG-CB 4.18Å; F126-A247 CarbonylContact C-O 3.58Å; F126-A247 WeakPolarHBondContact CA-O 3.38Å; F126-A247 WeakPolarHBondContact CD1-O 3.46Å; K127-A247 HydrophobicContact CB-CB 3.8Å; K127-A247 HydrophobicContact CD-CB 4.27Å; K127-A247 HydrophobicContact CG-CB 4.22Å; K127-A247 PolarHBondContact N-O 3.02Å; S128-A247 PolarHBondContact N-O 2.98Å; S128-A247 PolarHBondContact OG-N 3.2Å; S128-A247 PolarHBondContact OG-O 3.31Å; Y245-A247 HydrophobicContact CD2-CB 4.05Å; Y245-A247 HydrophobicContact CE2-CB 4.08Å |
| 248 | I | 94.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.5 | -175 | -60.7 | 174.5 | 0 | 0 | 0 | 109.1 | V85 W97 W98 F126 F223 E250 M251 | V85-I248 HydrophobicContact CB-CG2 4.36Å; V85-I248 HydrophobicContact CG1-CB 4.05Å; V85-I248 HydrophobicContact CG1-CG2 3.94Å; W97-I248 CarbonylContact C-O 3.53Å; W97-I248 WeakPolarHBondContact CA-O 3.18Å; W97-I248 WeakPolarHBondContact CB-O 3.36Å; W98-I248 HydrophobicContact CE3-CB 4.12Å; W98-I248 HydrophobicContact CE3-CD1 3.74Å; W98-I248 HydrophobicContact CE3-CG1 3.83Å; W98-I248 HydrophobicContact CZ3-CD1 3.69Å; W98-I248 HydrophobicContact CZ3-CG1 3.98Å; W98-I248 PolarHBondContact N-O 2.95Å; W98-I248 PolarHBondContact O-N 3.34Å; F126-I248 HydrophobicContact CD1-CG1 3.87Å; F126-I248 HydrophobicContact CE1-CD1 4.05Å; F126-I248 HydrophobicContact CE1-CG1 3.66Å; F126-I248 HydrophobicContact CG-CG1 4.48Å; F126-I248 HydrophobicContact CZ-CD1 4.15Å; F126-I248 HydrophobicContact CZ-CG1 4.11Å; F223-I248 HydrophobicContact CE2-CD1 4.25Å; F223-I248 HydrophobicContact CZ-CD1 3.85Å; I248-E250 VanDerWaalsContact CG2-O 3.29Å; I248-E250 WeakPolarHBondContact CG2-O 3.47Å; I248-M251 HydrophobicContact CD1-CE 4.16Å |
| 249 | Y | 92.3 | Very high | 89.5 | Confident | 44 Ų | 44 | 21.7 Ų | 21.7 | 17% | 0.173 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -52.8 | 173 | -77.5 | -60.3 | 0 | 0 | 0 | 111.3 | W97 T125 K127 | W97-Y249 HydrophobicContact CB-CD1 4.12Å; T125-Y249 PolarHBondContact O-N 3.14Å; K127-Y249 VanDerWaalsContact CA-CE2 3.42Å; K127-Y249 HydrophobicContact CB-CD1 4.16Å; K127-Y249 HydrophobicContact CB-CD2 3.77Å; K127-Y249 HydrophobicContact CB-CE1 3.98Å; K127-Y249 HydrophobicContact CB-CE2 3.59Å; K127-Y249 HydrophobicContact CB-CG 4.05Å; K127-Y249 HydrophobicContact CD-CE1 3.91Å; K127-Y249 HydrophobicContact CG-CE1 3.96Å; K127-Y249 HydrophobicContact CG-CE2 3.95Å; K127-Y249 PolarHBondContact NZ-OH 2.96Å |
| 250 | E | 91.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 18.5 Ų | 18.5 | 8% | 0.084 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 142.1 | -174 | -176.5 | 170.8 | -158.4 | 0 | 0 | 110.3 | V85 S87 R93 T125 I248 V252 | V85-E250 WeakPolarHBondContact O-CA 3.49Å; S87-E250 WeakPolarHBondContact CB-OE1 3.31Å; S87-E250 PolarHBondContact OG-OE1 2.86Å; R93-E250 WeakPolarHBondContact CD-OE2 3.4Å; R93-E250 WeakPolarHBondContact CG-OE2 3.12Å; R93-E250 IonicContact CZ-OE1 3.3Å; R93-E250 VanDerWaalsContact CZ-OE1 3.22Å; R93-E250 IonicContact CZ-OE2 3.86Å; R93-E250 VanDerWaalsContact CZ-OE2 3.3Å; R93-E250 IonicContact NE-OE1 3.81Å; R93-E250 PolarHBondContact NE-OE1 2.99Å; R93-E250 IonicContact NE-OE2 3.23Å; R93-E250 PolarHBondContact NE-OE2 3.08Å; R93-E250 IonicContact NH1-OE2 3.63Å; R93-E250 IonicContact NH2-OE1 3.58Å; R93-E250 PolarHBondContact NH2-OE1 3.35Å; R93-E250 IonicContact NH2-OE2 3.11Å; T125-E250 PolarHBondContact N-O 3.42Å; I248-E250 VanDerWaalsContact CG2-O 3.29Å; I248-E250 WeakPolarHBondContact CG2-O 3.47Å; E250-V252 HydrophobicContact CG-CG2 3.96Å |
| 251 | M | 93 | Very high | 90.7 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.015 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.9 | 166.5 | -171.2 | -179 | -67.6 | 0 | 0 | 108.5 | L29 V85 V109 L122 I123 M124 I221 I248 V253 | L29-M251 HydrophobicContact CD1-CB 3.85Å; L29-M251 HydrophobicContact CD1-CG 3.81Å; L29-M251 WeakPolarHBondContact CD1-O 3.47Å; L29-M251 HydrophobicContact CD1-SD 4.21Å; V85-M251 HydrophobicContact CB-CB 4.04Å; V85-M251 HydrophobicContact CG2-CB 3.75Å; V85-M251 PolarHBondContact O-N 2.57Å; V109-M251 HydrophobicContact CG1-CE 4.06Å; L122-M251 HydrophobicContact CD1-CG 3.67Å; L122-M251 HydrophobicContact CD1-SD 4.19Å; I123-M251 WeakPolarHBondContact O-CA 3.49Å; M124-M251 HydrophobicContact CG-CE 4.03Å; M124-M251 HydrophobicContact CG-CG 3.99Å; M124-M251 HydrophobicContact SD-CE 3.98Å; I221-M251 HydrophobicContact CD1-CE 3.65Å; I221-M251 HydrophobicContact CD1-SD 3.88Å; I248-M251 HydrophobicContact CD1-CE 4.16Å; M251-V253 HydrophobicContact CG-CG2 4.45Å; M251-V253 HydrophobicContact SD-CG2 4.44Å |
| 252 | V | 92 | Very high | 91.2 | Very high | 28 Ų | 28 | 16.5 Ų | 16.5 | 17% | 0.17 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 113.9 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | N27 L122 I123 E250 | N27-V252 HydrophobicContact CB-CG1 4.24Å; L122-V252 WeakPolarHBondContact CA-O 3.19Å; I123-V252 HydrophobicContact CB-CB 4.47Å; I123-V252 PolarHBondContact N-O 3.26Å; I123-V252 PolarHBondContact O-N 3.21Å; E250-V252 HydrophobicContact CG-CG2 3.96Å |
| 253 | V | 93.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.018 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 95.4 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 106.2 | N27 L28 L29 L111 F119 L122 L219 M251 | N27-V253 CarbonylContact C-O 3.44Å; N27-V253 WeakPolarHBondContact CA-O 3.49Å; N27-V253 PolarHBondContact OD1-N 2.93Å; N27-V253 PolarHBondContact OD1-O 3.34Å; L28-V253 HydrophobicContact CB-CB 4.43Å; L28-V253 HydrophobicContact CB-CG1 4.13Å; L28-V253 HydrophobicContact CD1-CG1 4.14Å; L28-V253 HydrophobicContact CG-CG1 4.35Å; L28-V253 PolarHBondContact N-O 3.29Å; L29-V253 HydrophobicContact CD1-CB 4.37Å; L29-V253 HydrophobicContact CD1-CG2 3.83Å; L29-V253 HydrophobicContact CD2-CG2 4.36Å; L29-V253 HydrophobicContact CG-CB 4.16Å; L29-V253 HydrophobicContact CG-CG2 3.88Å; L111-V253 HydrophobicContact CD2-CB 4.38Å; L111-V253 HydrophobicContact CD2-CG1 4.22Å; L111-V253 HydrophobicContact CD2-CG2 4.08Å; F119-V253 HydrophobicContact CD2-CG1 3.75Å; F119-V253 HydrophobicContact CE2-CG1 3.83Å; L122-V253 HydrophobicContact CD1-CG2 3.9Å; L219-V253 HydrophobicContact CD2-CG1 4.31Å; L219-V253 HydrophobicContact CD2-CG2 4.07Å; M251-V253 HydrophobicContact CG-CG2 4.45Å; M251-V253 HydrophobicContact SD-CG2 4.44Å |
| 254 | R | 92.2 | Very high | 91.5 | Very high | 108 Ų | 108 | 16.7 Ų | 16.7 | 41% | 0.408 | 7% | 0.071 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.2 | -174.2 | -158 | -170.7 | -171.2 | 133.7 | -1.3 | 111.4 | G26 T120 H121 | G26-R254 WeakPolarHBondContact O-CA 3.24Å; G26-R254 WeakPolarHBondContact O-CG 3.45Å; T120-R254 PolarHBondContact N-O 2.77Å; T120-R254 PolarHBondContact OG1-O 2.63Å; H121-R254 WeakPolarHBondContact CE1-CD 3.46Å; H121-R254 PolarHBondContact N-O 3Å; H121-R254 PolarHBondContact O-N 3.34Å |
| 255 | G | 90.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | -175.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T25 G26 H118 | T25-G255 CarbonylContact C-O 3.47Å; T25-G255 WeakPolarHBondContact CA-O 3.48Å; G26-G255 PolarHBondContact N-O 3.23Å; G26-G255 PolarHBondContact O-N 3.42Å; H118-G255 CarbonylContact O-C 3.37Å; H118-G255 WeakPolarHBondContact O-CA 3.45Å |
| 256 | S | 91.2 | Very high | 91.1 | Very high | 16 Ų | 16 | 21 Ų | 21 | 11% | 0.112 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 164 | 171.3 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | F117 H118 | F117-S256 WeakPolarHBondContact CA-O 3.05Å; F117-S256 WeakPolarHBondContact CB-O 3.37Å; F117-S256 WeakPolarHBondContact CD1-O 3.17Å; H118-S256 PolarHBondContact N-O 3.22Å; H118-S256 PolarHBondContact O-N 3.09Å |
| 257 | C | 90.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 141 | 163.4 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | P23 C259 C266 V287 H288 | P23-C257 HydrophobicContact CB-CB 4.01Å; P23-C257 HydrophobicContact CG-CB 3.95Å; C257-C259 VanDerWaalsContact SG-SG 3.65Å; C257-C266 HydrophobicContact CB-CB 3.73Å; C257-C266 WeakPolarHBondContact CB-SG 3.2Å; C257-C266 WeakPolarHBondContact SG-CB 3.32Å; C257-C266 CovalentContact SG-SG 2.03Å; C257-C266 PolarHBondContact SG-SG 3.48Å; C257-V287 HydrophobicContact CB-CG1 4.38Å; C257-H288 VanDerWaalsContact CB-O 3.3Å; C257-H288 WeakPolarHBondContact CB-O 3.3Å; C257-H288 PolarHBondContact SG-O 3.25Å |
| 258 | S | 89.7 | Confident | 90 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -87.3 | 112.7 | -179.6 | -172 | 0 | 0 | 0 | 0 | 109 | E116 H118 C291 N301 | E116-S258 WeakPolarHBondContact OE1-CB 3.25Å; E116-S258 PolarHBondContact OE1-OG 2.83Å; H118-S258 PolarHBondContact CD2-OG 2.81Å; H118-S258 PolarHBondContact NE2-OG 3.45Å; S258-C291 PolarHBondContact O-SG 3.15Å; S258-N301 VanDerWaalsContact O-CA 3.22Å; S258-N301 WeakPolarHBondContact O-CA 3.23Å; S258-N301 WeakPolarHBondContact O-CB 3.34Å; S258-N301 PolarHBondContact O-OD1 3.45Å | ||
| 259 | C | 90.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | trans | -133.5 | 13.7 | -176.7 | -56.1 | 0 | 0 | 0 | 0 | 115.2 | P23 C257 G261 H262 A263 C266 C291 N301 | P23-C259 HydrophobicContact CG-CB 4.16Å; P23-C259 WeakPolarHBondContact CG-SG 3.49Å; C257-C259 VanDerWaalsContact SG-SG 3.65Å; C259-G261 PolarHBondContact O-N 3.49Å; C259-H262 PolarHBondContact O-N 2.7Å; C259-A263 HydrophobicContact CB-CB 3.73Å; C259-C266 PolarHBondContact SG-SG 2.87Å; C259-C291 WeakPolarHBondContact CA-SG 3.49Å; C259-C291 HydrophobicContact CB-CB 3.94Å; C259-C291 WeakPolarHBondContact CB-SG 3.16Å; C259-C291 WeakPolarHBondContact SG-CB 3.38Å; C259-C291 CovalentContact SG-SG 2.03Å; C259-C291 PolarHBondContact SG-SG 3.22Å; C259-N301 CarbonylContact C-O 2.96Å; C259-N301 VanDerWaalsContact C-O 3.23Å; C259-N301 WeakPolarHBondContact CA-O 2.92Å | ||
| 260 | Y | 88.7 | Confident | 87.6 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 24.2 | -179.3 | -61.3 | -68.2 | 0 | 0 | 0 | 117.3 | H118 Y206 H262 N301 E303 W314 P316 A317 | H118-Y260 AromaticContact NE2-CE1 3.95Å; Y206-Y260 HydrophobicContact CD1-CD1 4.32Å; Y206-Y260 HydrophobicContact CE1-CD1 4.17Å; Y206-Y260 VanDerWaalsContact OH-C 3.3Å; Y206-Y260 PolarHBondContact OH-O 2.84Å; Y260-H262 PolarHBondContact O-CD2 3.28Å; Y260-N301 HydrophobicContact CD2-CB 4.24Å; Y260-N301 VanDerWaalsContact CD2-O 3.29Å; Y260-N301 WeakPolarHBondContact CD2-O 3.25Å; Y260-N301 HydrophobicContact CE2-CB 3.93Å; Y260-E303 HydrophobicContact CD2-CB 4.39Å; Y260-E303 HydrophobicContact CE2-CB 4.13Å; Y260-W314 HydrophobicContact CD1-CH2 4.09Å; Y260-W314 AromaticContact CD2-CH2 3.87Å; Y260-W314 HydrophobicContact CD2-CH2 3.87Å; Y260-W314 AromaticContact CD2-CZ2 3.83Å; Y260-W314 HydrophobicContact CD2-CZ2 3.83Å; Y260-W314 HydrophobicContact CE2-CH2 4.4Å; Y260-W314 AromaticContact CG-CH2 3.7Å; Y260-W314 HydrophobicContact CG-CH2 3.7Å; Y260-W314 AromaticContact CG-CZ2 3.83Å; Y260-W314 HydrophobicContact CG-CZ2 3.83Å; Y260-P316 HydrophobicContact CD1-CB 4.46Å; Y260-P316 CarbonylContact O-C 3.53Å; Y260-P316 WeakPolarHBondContact O-CA 3.33Å; Y260-A317 PolarHBondContact O-N 3.04Å |
| 261 | G | 88.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 4.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C21 Y206 C259 H295 A317 | C21-G261 PolarHBondContact N-O 2.63Å; C21-G261 CarbonylContact O-C 3.57Å; C21-G261 VanDerWaalsContact O-CA 3.24Å; C21-G261 WeakPolarHBondContact O-CA 3.49Å; C21-G261 VanDerWaalsContact O-O 3.07Å; Y206-G261 PolarHBondContact OH-N 2.8Å; C259-G261 PolarHBondContact O-N 3.49Å; G261-H295 PolarHBondContact O-CE1 2.78Å; G261-A317 WeakPolarHBondContact O-CB 3Å |
| 262 | H | 92.6 | Very high | 84 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -103.2 | 8.2 | -177 | -54.2 | -70.5 | 0 | 0 | 0 | 114.5 | C259 Y260 T294 H295 T297 C302 K315 T322 | C259-H262 PolarHBondContact O-N 2.7Å; Y260-H262 PolarHBondContact O-CD2 3.28Å; H262-T294 WeakPolarHBondContact O-CB 3.25Å; H262-T294 PolarHBondContact O-N 2.78Å; H262-T294 PolarHBondContact O-OG1 3.47Å; H262-H295 HydrophobicContact CB-CB 4.45Å; H262-H295 AromaticContact CE1-ND1 3.92Å; H262-H295 AromaticContact CG-ND1 3.82Å; H262-H295 AromaticContact ND1-CG 3.62Å; H262-H295 AromaticContact ND1-ND1 2.94Å; H262-H295 PolarHBondContact ND1-ND1 3.22Å; H262-T297 HydrophobicContact CB-CG2 4.34Å; H262-T297 WeakPolarHBondContact CB-OG1 2.99Å; H262-C302 HydrophobicContact CB-CB 3.77Å; H262-K315 PolarHBondContact CE1-O 3.3Å; H262-K315 VanDerWaalsContact CE1-O 3.31Å; H262-K315 PolarHBondContact NE2-O 2.9Å; H262-K315 VanDerWaalsContact NE2-O 3.09Å; H262-T322 PolarHBondContact CE1-O 3.32Å |
| 263 | A | 90.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -147.1 | 130.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C21 Y22 P23 C259 C291 E292 | C21-A263 CarbonylContact C-O 3.54Å; C21-A263 CarbonylContact O-C 3.43Å; C21-A263 PolarHBondContact O-N 3.29Å; C21-A263 VanDerWaalsContact O-O 3.11Å; Y22-A263 CarbonylContact C-O 3.48Å; Y22-A263 WeakPolarHBondContact CA-O 3.13Å; P23-A263 VanDerWaalsContact CD-O 3.22Å; P23-A263 WeakPolarHBondContact CD-O 3.18Å; C259-A263 HydrophobicContact CB-CB 3.73Å; A263-C291 HydrophobicContact CB-CB 3.84Å; A263-E292 WeakPolarHBondContact CB-O 3.1Å | ||
| 264 | R | 86.6 | Confident | 80 | Confident | 68 Ų | 68 | 48.3 Ų | 48.3 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -77.4 | -26.4 | 175 | 179.7 | -177.4 | 152.8 | 158 | 2.8 | 112.9 | E12 C21 P23 | E12-R264 IonicContact OE1-CZ 3.41Å; E12-R264 IonicContact OE1-NH1 3.88Å; E12-R264 IonicContact OE1-NH2 2.85Å; E12-R264 PolarHBondContact OE1-NH2 2.85Å; C21-R264 HydrophobicContact CB-CB 4.32Å; P23-R264 WeakPolarHBondContact CA-O 3.49Å |
| 265 | H | 86.6 | Confident | 78 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 43% | 0.426 | 24% | 0.239 | S | C | . | . | trans | -138.8 | 156.8 | -173.7 | -67.3 | -53.5 | 0 | 0 | 0 | 111.5 | E292 | H265-E292 PolarHBondContact O-N 3.47Å; H265-E292 VanDerWaalsContact O-N 3.08Å | ||
| 266 | C | 88.4 | Confident | 75.8 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.7 | 170.9 | -70.8 | 0 | 0 | 0 | 0 | 110.6 | C257 C259 H288 R290 | C257-C266 HydrophobicContact CB-CB 3.73Å; C257-C266 WeakPolarHBondContact CB-SG 3.2Å; C257-C266 WeakPolarHBondContact SG-CB 3.32Å; C257-C266 CovalentContact SG-SG 2.03Å; C257-C266 PolarHBondContact SG-SG 3.48Å; C259-C266 PolarHBondContact SG-SG 2.87Å; C266-H288 HydrophobicContact CB-CB 4.21Å; C266-H288 WeakPolarHBondContact CB-O 3.17Å; C266-H288 PolarHBondContact O-CD2 3.25Å; C266-R290 CarbonylContact C-O 3.54Å; C266-R290 WeakPolarHBondContact CA-O 3.15Å; C266-R290 WeakPolarHBondContact CB-O 3.42Å |
| 267 | I | 85.7 | Confident | 73.8 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 28% | 0.277 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 159.5 | -177.6 | 57.1 | 172.4 | 0 | 0 | 0 | 110.5 | H288 R290 E292 | I267-H288 WeakPolarHBondContact O-CB 3.27Å; I267-R290 HydrophobicContact CD1-CG 4.36Å; I267-R290 HydrophobicContact CG1-CB 4.27Å; I267-R290 HydrophobicContact CG1-CG 3.97Å; I267-R290 PolarHBondContact N-O 3.36Å; I267-R290 PolarHBondContact O-N 3.28Å; I267-E292 HydrophobicContact CG2-CB 4.44Å |
| 268 | P | 80.8 | Confident | 72 | Confident | 55 Ų | 55 | 61 Ų | 61 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | trans | -59.3 | 142.9 | 172.7 | -23.3 | 33.8 | 0 | 0 | 0 | 112.6 | K270 | P268-K270 PolarHBondContact O-N 2.85Š| ||
| 269 | I | 75.6 | Confident | 69.7 | Low | 42 Ų | 42 | 64.6 Ų | 64.6 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | trans | -71.2 | 125.5 | 169.8 | -74.2 | 161.7 | 0 | 0 | 0 | 108.7 | E114 A115 D271 D272 R290 | E114-I269 HydrophobicContact CG-CD1 3.76Å; A115-I269 HydrophobicContact CB-CD1 3.79Å; I269-D271 PolarHBondContact O-N 2.75Å; I269-D271 VanDerWaalsContact O-N 3.1Å; I269-D272 PolarHBondContact O-N 2.87Å; I269-R290 HydrophobicContact CD1-CB 4.44Å; I269-R290 HydrophobicContact CG1-CB 3.63Å | ||
| 270 | K | 60.4 | Low | 67.8 | Low | 170 Ų | 170 | 68.9 Ų | 68.9 | 74% | 0.739 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.4 | -169.7 | -72.8 | -174.6 | 176.2 | 177.9 | 0 | 114.8 | P268 | P268-K270 PolarHBondContact O-N 2.85Š|
| 271 | D | 57.4 | Low | 66 | Low | 150 Ų | 150 | 72.3 Ų | 72.3 | 80% | 0.802 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 13.3 | -179.3 | -70.7 | -57.8 | 0 | 0 | 0 | 114.8 | I269 S273 | I269-D271 PolarHBondContact O-N 2.75Å; I269-D271 VanDerWaalsContact O-N 3.1Å; D271-S273 VanDerWaalsContact C-N 3.27Å; D271-S273 PolarHBondContact O-N 3.5Å |
| 272 | D | 51.6 | Low | 64.5 | Low | 26 Ų | 26 | 75.8 Ų | 75.8 | 14% | 0.139 | 44% | 0.44 | C | S | . | . | trans | -72.6 | 86.2 | 173.1 | -164.4 | 1.7 | 0 | 0 | 0 | 111.2 | R35 I269 F274 V275 | R35-D272 IonicContact CZ-OD2 3.26Å; R35-D272 IonicContact NH2-OD1 3.24Å; R35-D272 PolarHBondContact NH2-OD1 3.13Å; R35-D272 IonicContact NH2-OD2 2.64Å; R35-D272 PolarHBondContact NH2-OD2 3.09Å; I269-D272 PolarHBondContact O-N 2.87Å; D272-F274 PolarHBondContact O-N 3.35Å; D272-V275 PolarHBondContact O-N 3.09Å | ||
| 273 | S | 49.2 | Very low | 63.3 | Low | 80 Ų | 80 | 80.7 Ų | 80.7 | 56% | 0.559 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -44.7 | -25.1 | -175 | 59.5 | 0 | 0 | 0 | 0 | 115.8 | D271 L277 | D271-S273 VanDerWaalsContact C-N 3.27Å; D271-S273 PolarHBondContact O-N 3.5Å; S273-L277 WeakPolarHBondContact O-CD1 3.29Å; S273-L277 WeakPolarHBondContact O-CG 3.28Å; S273-L277 PolarHBondContact O-N 3.49Å |
| 274 | F | 52.6 | Low | 62.2 | Low | 93 Ų | 93 | 86.5 Ų | 86.5 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.2 | -33.4 | 177.9 | -160.4 | -99.2 | 0 | 0 | 0 | 113.3 | H34 D272 L277 V278 | H34-F274 HydrophobicContact CB-CE1 4.22Å; H34-F274 HydrophobicContact CB-CE2 4.41Å; H34-F274 HydrophobicContact CB-CZ 3.97Å; H34-F274 AromaticContact CD2-CD1 4Å; H34-F274 AromaticContact CD2-CG 3.94Å; H34-F274 AromaticContact CE1-CD1 3.6Å; H34-F274 AromaticContact CG-CD1 4Å; H34-F274 AromaticContact CG-CE1 3.77Å; H34-F274 AromaticContact CG-CZ 3.93Å; H34-F274 AromaticContact ND1-CD1 3.75Å; H34-F274 AromaticContact ND1-CE1 3.65Å; H34-F274 AromaticContact NE2-CD1 3.78Å; H34-F274 AromaticContact NE2-CG 3.8Å; D272-F274 PolarHBondContact O-N 3.35Å; F274-L277 PolarHBondContact O-N 3.09Å; F274-V278 HydrophobicContact CD1-CG2 4.21Å; F274-V278 HydrophobicContact CE1-CG2 3.89Å; F274-V278 HydrophobicContact CE2-CG2 4.44Å; F274-V278 HydrophobicContact CZ-CG2 4.02Å; F274-V278 WeakPolarHBondContact O-CG2 3.1Å; F274-V278 PolarHBondContact O-N 3.27Å |
| 275 | V | 50 | Low | 61.7 | Low | 68 Ų | 68 | 88.6 Ų | 88.6 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.6 | -43.7 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | D272 L277 V278 G279 | D272-V275 PolarHBondContact O-N 3.09Å; V275-L277 VanDerWaalsContact C-N 3.25Å; V275-L277 PolarHBondContact O-N 3.11Å; V275-V278 PolarHBondContact O-N 3.1Å; V275-G279 PolarHBondContact O-N 3.19Å |
| 276 | S | 46 | Very low | 61.6 | Low | 103 Ų | 103 | 85.9 Ų | 85.9 | 72% | 0.72 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.8 | -24 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 277 | L | 48.7 | Very low | 61.5 | Low | 146 Ų | 146 | 85.6 Ų | 85.6 | 76% | 0.764 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -87.5 | -19.3 | 179.4 | -83.2 | 167.1 | 0 | 0 | 0 | 114.9 | S273 F274 V275 | S273-L277 WeakPolarHBondContact O-CD1 3.29Å; S273-L277 WeakPolarHBondContact O-CG 3.28Å; S273-L277 PolarHBondContact O-N 3.49Å; F274-L277 PolarHBondContact O-N 3.09Å; V275-L277 VanDerWaalsContact C-N 3.25Å; V275-L277 PolarHBondContact O-N 3.11Å |
| 278 | V | 52.6 | Low | 61.6 | Low | 74 Ų | 74 | 84.6 Ų | 84.6 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -107.5 | -16.8 | -172.4 | -178.7 | 0 | 0 | 0 | 0 | 113.1 | F274 V275 T280 | F274-V278 HydrophobicContact CD1-CG2 4.21Å; F274-V278 HydrophobicContact CE1-CG2 3.89Å; F274-V278 HydrophobicContact CE2-CG2 4.44Å; F274-V278 HydrophobicContact CZ-CG2 4.02Å; F274-V278 WeakPolarHBondContact O-CG2 3.1Å; F274-V278 PolarHBondContact O-N 3.27Å; V275-V278 PolarHBondContact O-N 3.1Å; V278-T280 HydrophobicContact CG1-CG2 4.06Å; V278-T280 PolarHBondContact O-N 3.44Å |
| 279 | G | 41.7 | Very low | 61.7 | Low | 75 Ų | 75 | 82 Ų | 82 | 77% | 0.773 | 48% | 0.475 | S | S | * | . | trans | 65.6 | 9.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V275 | V275-G279 PolarHBondContact O-N 3.19Š| ||
| 280 | T | 49.7 | Very low | 62.3 | Low | 93 Ų | 93 | 84.2 Ų | 84.2 | 57% | 0.571 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -86.6 | 126.2 | 173.2 | 48.3 | 0 | 0 | 0 | 0 | 109.6 | V278 | V278-T280 HydrophobicContact CG1-CG2 4.06Å; V278-T280 PolarHBondContact O-N 3.44Å |
| 281 | S | 51 | Low | 63.8 | Low | 106 Ų | 106 | 76.3 Ų | 76.3 | 74% | 0.741 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -47.6 | 140.7 | 170.4 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | R283 | S281-R283 PolarHBondContact O-N 2.91Š|
| 282 | P | 56.3 | Low | 65.3 | Low | 75 Ų | 75 | 74.3 Ų | 74.3 | 49% | 0.487 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 130.3 | 179.3 | 20.9 | -32.2 | 0 | 0 | 0 | 109.8 | ||
| 283 | R | 67.5 | Low | 67.2 | Low | 102 Ų | 102 | 74.7 Ų | 74.7 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 127.7 | 179.8 | -87.9 | -171.9 | 177.9 | 164.7 | 4.5 | 108.5 | E33 S281 D285 M286 | E33-R283 IonicContact OE1-CZ 3.6Å; E33-R283 IonicContact OE1-NH1 3.32Å; E33-R283 PolarHBondContact OE1-NH1 3.02Å; E33-R283 IonicContact OE1-NH2 2.7Å; E33-R283 PolarHBondContact OE1-NH2 2.73Å; E33-R283 IonicContact OE2-NH1 3.3Å; S281-R283 PolarHBondContact O-N 2.91Å; R283-D285 PolarHBondContact O-N 3.48Å; R283-M286 HydrophobicContact CB-CB 4.22Å; R283-M286 VanDerWaalsContact O-CB 3.29Å; R283-M286 WeakPolarHBondContact O-CB 3.11Å; R283-M286 PolarHBondContact O-N 3.05Å |
| 284 | P | 68.3 | Low | 69.1 | Low | 123 Ų | 123 | 72.8 Ų | 72.8 | 80% | 0.799 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.3 | -177.5 | 26 | -35.1 | 0 | 0 | 0 | 113.2 | ||
| 285 | D | 75.5 | Confident | 71 | Confident | 112 Ų | 112 | 69.4 Ų | 69.4 | 60% | 0.599 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.9 | 180 | -34.5 | -49.1 | 0 | 0 | 0 | 113.2 | I30 R283 | I30-D285 HydrophobicContact CG2-CB 4.39Å; R283-D285 PolarHBondContact O-N 3.48Å |
| 286 | M | 83.8 | Confident | 73 | Confident | 35 Ų | 35 | 69.8 Ų | 69.8 | 17% | 0.172 | 41% | 0.405 | C | S | . | . | trans | -82.3 | 127.8 | -180 | -179.9 | 174.2 | -177.6 | 0 | 0 | 110.8 | I30 R32 R283 H288 | I30-M286 WeakPolarHBondContact O-CG 3.05Å; R32-M286 HydrophobicContact CG-CE 4.39Å; R283-M286 HydrophobicContact CB-CB 4.22Å; R283-M286 VanDerWaalsContact O-CB 3.29Å; R283-M286 WeakPolarHBondContact O-CB 3.11Å; R283-M286 PolarHBondContact O-N 3.05Å; M286-H288 PolarHBondContact O-N 3.3Å | ||
| 287 | V | 87 | Confident | 75.3 | Confident | 15 Ų | 15 | 65 Ų | 65 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | trans | -75.8 | 110.8 | 166.3 | -171 | 0 | 0 | 0 | 0 | 107.7 | L28 R32 F117 C257 | L28-V287 HydrophobicContact CD2-CB 3.9Å; L28-V287 HydrophobicContact CD2-CG1 4Å; L28-V287 HydrophobicContact CD2-CG2 4.17Å; R32-V287 PolarHBondContact NH1-O 3.03Å; R32-V287 VanDerWaalsContact NH1-O 3.14Å; R32-V287 PolarHBondContact NH2-O 3.41Å; F117-V287 HydrophobicContact CD1-CG1 4.34Å; F117-V287 HydrophobicContact CE1-CG1 4.02Å; C257-V287 HydrophobicContact CB-CG1 4.38Å | ||
| 288 | H | 87.4 | Confident | 77.3 | Confident | 33 Ų | 33 | 61 Ų | 61 | 15% | 0.153 | 35% | 0.348 | C | S | . | . | trans | -79.1 | 165 | 174.6 | -59.1 | -54 | 0 | 0 | 0 | 112.2 | F117 C257 C266 I267 M286 | F117-H288 WeakPolarHBondContact CE1-O 3.31Å; C257-H288 VanDerWaalsContact CB-O 3.3Å; C257-H288 WeakPolarHBondContact CB-O 3.3Å; C257-H288 PolarHBondContact SG-O 3.25Å; C266-H288 HydrophobicContact CB-CB 4.21Å; C266-H288 WeakPolarHBondContact CB-O 3.17Å; C266-H288 PolarHBondContact O-CD2 3.25Å; I267-H288 WeakPolarHBondContact O-CB 3.27Å; M286-H288 PolarHBondContact O-N 3.3Å | ||
| 289 | G | 83.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -115.3 | 6.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | A115 | A115-G289 WeakPolarHBondContact CB-O 3.46Š|
| 290 | R | 88.5 | Confident | 81.1 | Confident | 89 Ų | 89 | 59 Ų | 59 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.7 | 170.7 | 167.4 | 178.3 | -179.9 | 156.7 | 6.3 | 109.6 | C266 I267 I269 L300 | C266-R290 CarbonylContact C-O 3.54Å; C266-R290 WeakPolarHBondContact CA-O 3.15Å; C266-R290 WeakPolarHBondContact CB-O 3.42Å; I267-R290 HydrophobicContact CD1-CG 4.36Å; I267-R290 HydrophobicContact CG1-CB 4.27Å; I267-R290 HydrophobicContact CG1-CG 3.97Å; I267-R290 PolarHBondContact N-O 3.36Å; I267-R290 PolarHBondContact O-N 3.28Å; I269-R290 HydrophobicContact CD1-CB 4.44Å; I269-R290 HydrophobicContact CG1-CB 3.63Å; R290-L300 HydrophobicContact CB-CD2 4.35Å; R290-L300 HydrophobicContact CG-CD2 4.2Å |
| 291 | C | 91 | Very high | 83 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 145.3 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | S258 C259 A263 C293 L300 C302 | S258-C291 PolarHBondContact O-SG 3.15Å; C259-C291 WeakPolarHBondContact CA-SG 3.49Å; C259-C291 HydrophobicContact CB-CB 3.94Å; C259-C291 WeakPolarHBondContact CB-SG 3.16Å; C259-C291 WeakPolarHBondContact SG-CB 3.38Å; C259-C291 CovalentContact SG-SG 2.03Å; C259-C291 PolarHBondContact SG-SG 3.22Å; A263-C291 HydrophobicContact CB-CB 3.84Å; C291-C293 PolarHBondContact O-N 2.61Å; C291-L300 PolarHBondContact N-O 2.76Å; C291-L300 PolarHBondContact SG-O 3.15Å; C291-L300 VanDerWaalsContact SG-O 3.4Å; C291-C302 WeakPolarHBondContact CB-SG 3.18Å |
| 292 | E | 89.4 | Confident | 84.9 | Confident | 108 Ų | 108 | 50.2 Ų | 50.2 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | trans | -92.5 | 84.3 | 162.8 | -173.3 | 166.6 | -138.5 | 0 | 0 | 107.2 | A263 H265 I267 | A263-E292 WeakPolarHBondContact CB-O 3.1Å; H265-E292 PolarHBondContact O-N 3.47Å; H265-E292 VanDerWaalsContact O-N 3.08Å; I267-E292 HydrophobicContact CG2-CB 4.44Å | ||
| 293 | C | 90.9 | Very high | 86.4 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | trans | -66.3 | 147.1 | -169.6 | -60.6 | 0 | 0 | 0 | 0 | 113.1 | C291 T297 C302 | C291-C293 PolarHBondContact O-N 2.61Å; C293-T297 WeakPolarHBondContact CB-O 3.17Å; C293-C302 WeakPolarHBondContact CA-SG 3.39Å; C293-C302 HydrophobicContact CB-CB 3.93Å; C293-C302 WeakPolarHBondContact CB-SG 3.3Å; C293-C302 WeakPolarHBondContact SG-CA 3.45Å; C293-C302 WeakPolarHBondContact SG-CB 3.22Å; C293-C302 CovalentContact SG-SG 2.04Å; C293-C302 PolarHBondContact SG-SG 2.92Å | ||
| 294 | T | 90.6 | Very high | 87.5 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | trans | -129.3 | -163 | 175.7 | 68.4 | 0 | 0 | 0 | 0 | 108.5 | C16 H262 H296 T297 | C16-T294 HydrophobicContact CB-CG2 4.38Å; H262-T294 WeakPolarHBondContact O-CB 3.25Å; H262-T294 PolarHBondContact O-N 2.78Å; H262-T294 PolarHBondContact O-OG1 3.47Å; T294-H296 PolarHBondContact O-N 2.68Å; T294-T297 PolarHBondContact O-N 3.46Å; T294-T297 PolarHBondContact O-OG1 2.9Å | ||
| 295 | H | 91.9 | Very high | 88.7 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 26.1 | 174.3 | -58.5 | 170 | 0 | 0 | 0 | 114.8 | C16 R19 S20 G261 H262 T297 T322 A324 C325 | C16-H295 WeakPolarHBondContact CA-NE2 3.45Å; C16-H295 CovalentContact O-NE2 1.75Å; C16-H295 PolarHBondContact O-NE2 3.06Å; R19-H295 VanDerWaalsContact C-CE1 3.49Å; R19-H295 PolarHBondContact O-CE1 3.44Å; R19-H295 PolarHBondContact O-NE2 3.37Å; S20-H295 VanDerWaalsContact CA-CE1 3.44Å; S20-H295 WeakPolarHBondContact CA-CE1 3.46Å; G261-H295 PolarHBondContact O-CE1 2.78Å; H262-H295 HydrophobicContact CB-CB 4.45Å; H262-H295 AromaticContact CE1-ND1 3.92Å; H262-H295 AromaticContact CG-ND1 3.82Å; H262-H295 AromaticContact ND1-CG 3.62Å; H262-H295 AromaticContact ND1-ND1 2.94Å; H262-H295 PolarHBondContact ND1-ND1 3.22Å; H295-T297 VanDerWaalsContact C-N 3.28Å; H295-T297 PolarHBondContact O-N 2.95Å; H295-T322 PolarHBondContact ND1-O 3.01Å; H295-T322 VanDerWaalsContact ND1-O 3.17Å; H295-A324 HydrophobicContact CB-CB 3.76Å; H295-A324 VanDerWaalsContact O-CA 3.28Å; H295-A324 WeakPolarHBondContact O-CA 3.36Å; H295-A324 WeakPolarHBondContact O-CB 2.91Å; H295-C325 PolarHBondContact O-N 2.88Å |
| 296 | H | 92.7 | Very high | 89.4 | Confident | 76 Ų | 76 | 42.4 Ų | 42.4 | 35% | 0.352 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 37.9 | -173.5 | -58.2 | -65.5 | 0 | 0 | 0 | 114.3 | T294 E306 Y309 C325 | T294-H296 PolarHBondContact O-N 2.68Å; H296-E306 WeakPolarHBondContact CA-OE2 3.11Å; H296-E306 IonicContact CG-OE2 3.17Å; H296-E306 IonicContact ND1-OE2 2.97Å; H296-E306 PolarHBondContact ND1-OE2 2.94Å; H296-E306 PolarHBondContact O-N 2.99Å; H296-Y309 HydrophobicContact CB-CD1 3.51Å; H296-Y309 HydrophobicContact CB-CD2 4.29Å; H296-Y309 HydrophobicContact CB-CE1 3.98Å; H296-Y309 HydrophobicContact CB-CG 3.71Å; H296-Y309 AromaticContact CD2-CD1 3.83Å; H296-Y309 AromaticContact CD2-CE1 3.56Å; H296-Y309 AromaticContact CE1-CE1 3.6Å; H296-Y309 AromaticContact CE1-CZ 3.62Å; H296-Y309 AromaticContact CG-CD1 3.44Å; H296-Y309 VanDerWaalsContact CG-CD1 3.44Å; H296-Y309 AromaticContact CG-CE1 3.36Å; H296-Y309 AromaticContact CG-CZ 3.87Å; H296-Y309 AromaticContact ND1-CD1 3.88Å; H296-Y309 AromaticContact ND1-CE1 3.41Å; H296-Y309 WeakPolarHBondContact ND1-CE1 3.49Å; H296-Y309 AromaticContact ND1-CE2 3.87Å; H296-Y309 AromaticContact ND1-CZ 3.42Å; H296-Y309 AromaticContact NE2-CE1 3.74Å; H296-C325 HydrophobicContact CB-CB 4Å; H296-C325 VanDerWaalsContact O-CB 3.26Å; H296-C325 WeakPolarHBondContact O-CB 3.15Å |
| 297 | T | 92.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 149.4 | 175.9 | 58.7 | 0 | 0 | 0 | 0 | 112 | H262 C293 T294 H295 C302 E304 | H262-T297 HydrophobicContact CB-CG2 4.34Å; H262-T297 WeakPolarHBondContact CB-OG1 2.99Å; C293-T297 WeakPolarHBondContact CB-O 3.17Å; T294-T297 PolarHBondContact O-N 3.46Å; T294-T297 PolarHBondContact O-OG1 2.9Å; H295-T297 VanDerWaalsContact C-N 3.28Å; H295-T297 PolarHBondContact O-N 2.95Å; T297-C302 WeakPolarHBondContact OG1-CB 3.44Å; T297-E304 CarbonylContact C-O 3.5Å; T297-E304 WeakPolarHBondContact CA-O 3.21Å; T297-E304 WeakPolarHBondContact CB-O 3.36Å |
| 298 | K | 90.9 | Very high | 89.7 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 27% | 0.274 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 179 | 174 | 71.7 | 176.9 | 174.7 | 174.3 | 0 | 110.9 | C302 E303 E304 C305 E306 D307 | K298-C302 CarbonylContact O-C 3.6Å; K298-C302 VanDerWaalsContact O-CA 3.29Å; K298-C302 WeakPolarHBondContact O-CA 3.23Å; K298-E303 PolarHBondContact O-N 3.49Å; K298-E304 WeakPolarHBondContact CE-OE2 3.28Å; K298-E304 HydrophobicContact CG-CB 3.8Å; K298-E304 PolarHBondContact N-O 3.28Å; K298-E304 PolarHBondContact O-N 3.5Å; K298-C305 WeakPolarHBondContact CE-O 3.33Å; K298-C305 WeakPolarHBondContact CG-O 3.45Å; K298-E306 HydrophobicContact CB-CG 4.38Å; K298-D307 IonicContact NZ-OD1 3.65Å; K298-D307 PolarHBondContact NZ-OD1 2.75Å; K298-D307 IonicContact NZ-OD2 2.69Å; K298-D307 PolarHBondContact NZ-OD2 3.28Å |
| 299 | G | 87.1 | Confident | 90 | Very high | 30 Ų | 30 | 48 Ų | 48 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 111 | -170.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E303 | G299-E303 VanDerWaalsContact CA-OE2 3.31Å; G299-E303 WeakPolarHBondContact CA-OE2 3.27Å |
| 300 | L | 86.9 | Confident | 90.4 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 41% | 0.408 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -86.4 | -29.7 | 175.2 | -75.5 | 174.8 | 0 | 0 | 0 | 112.3 | R290 C291 E303 | R290-L300 HydrophobicContact CB-CD2 4.35Å; R290-L300 HydrophobicContact CG-CD2 4.2Å; C291-L300 PolarHBondContact N-O 2.76Å; C291-L300 PolarHBondContact SG-O 3.15Å; C291-L300 VanDerWaalsContact SG-O 3.4Å; L300-E303 PolarHBondContact N-OE1 3.5Å; L300-E303 VanDerWaalsContact N-OE1 3.09Å; L300-E303 PolarHBondContact N-OE2 2.7Å |
| 301 | N | 89.6 | Confident | 90.6 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -116.1 | 8.6 | -176.9 | -55.3 | -41.6 | 0 | 0 | 0 | 112.5 | E116 S258 C259 Y260 E303 | E116-N301 WeakPolarHBondContact CB-ND2 2.98Å; S258-N301 VanDerWaalsContact O-CA 3.22Å; S258-N301 WeakPolarHBondContact O-CA 3.23Å; S258-N301 WeakPolarHBondContact O-CB 3.34Å; S258-N301 PolarHBondContact O-OD1 3.45Å; C259-N301 CarbonylContact C-O 2.96Å; C259-N301 VanDerWaalsContact C-O 3.23Å; C259-N301 WeakPolarHBondContact CA-O 2.92Å; Y260-N301 HydrophobicContact CD2-CB 4.24Å; Y260-N301 VanDerWaalsContact CD2-O 3.29Å; Y260-N301 WeakPolarHBondContact CD2-O 3.25Å; Y260-N301 HydrophobicContact CE2-CB 3.93Å; N301-E303 VanDerWaalsContact CA-OE2 3.23Å; N301-E303 WeakPolarHBondContact CA-OE2 2.91Å; N301-E303 WeakPolarHBondContact CB-OE2 3.16Å; N301-E303 PolarHBondContact N-OE2 3.15Å |
| 302 | C | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 65.1 | 36.8 | -173.6 | -45 | 0 | 0 | 0 | 0 | 113.8 | H262 C291 C293 T297 K298 W314 | H262-C302 HydrophobicContact CB-CB 3.77Å; C291-C302 WeakPolarHBondContact CB-SG 3.18Å; C293-C302 WeakPolarHBondContact CA-SG 3.39Å; C293-C302 HydrophobicContact CB-CB 3.93Å; C293-C302 WeakPolarHBondContact CB-SG 3.3Å; C293-C302 WeakPolarHBondContact SG-CA 3.45Å; C293-C302 WeakPolarHBondContact SG-CB 3.22Å; C293-C302 CovalentContact SG-SG 2.04Å; C293-C302 PolarHBondContact SG-SG 2.92Å; T297-C302 WeakPolarHBondContact OG1-CB 3.44Å; K298-C302 CarbonylContact O-C 3.6Å; K298-C302 VanDerWaalsContact O-CA 3.29Å; K298-C302 WeakPolarHBondContact O-CA 3.23Å; C302-W314 WeakPolarHBondContact O-CZ2 2.87Å; C302-W314 PolarHBondContact O-NE1 2.04Å |
| 303 | E | 88 | Confident | 90.7 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | trans | -87.6 | -5.5 | -172.7 | 68.4 | -84.1 | -150.9 | 0 | 0 | 115.2 | Y260 K298 G299 L300 N301 | Y260-E303 HydrophobicContact CD2-CB 4.39Å; Y260-E303 HydrophobicContact CE2-CB 4.13Å; K298-E303 PolarHBondContact O-N 3.49Å; G299-E303 VanDerWaalsContact CA-OE2 3.31Å; G299-E303 WeakPolarHBondContact CA-OE2 3.27Å; L300-E303 PolarHBondContact N-OE1 3.5Å; L300-E303 VanDerWaalsContact N-OE1 3.09Å; L300-E303 PolarHBondContact N-OE2 2.7Å; N301-E303 VanDerWaalsContact CA-OE2 3.23Å; N301-E303 WeakPolarHBondContact CA-OE2 2.91Å; N301-E303 WeakPolarHBondContact CB-OE2 3.16Å; N301-E303 PolarHBondContact N-OE2 3.15Å | ||
| 304 | E | 90.8 | Very high | 90.7 | Very high | 100 Ų | 100 | 47.3 Ų | 47.3 | 47% | 0.467 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 159.8 | 178.9 | -72 | 172.8 | -162.4 | 0 | 0 | 110.8 | T297 K298 | T297-E304 CarbonylContact C-O 3.5Å; T297-E304 WeakPolarHBondContact CA-O 3.21Å; T297-E304 WeakPolarHBondContact CB-O 3.36Å; K298-E304 WeakPolarHBondContact CE-OE2 3.28Å; K298-E304 HydrophobicContact CG-CB 3.8Å; K298-E304 PolarHBondContact N-O 3.28Å; K298-E304 PolarHBondContact O-N 3.5Å |
| 305 | C | 92.4 | Very high | 90.6 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 148 | 166.4 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | K298 C325 | K298-C305 WeakPolarHBondContact CE-O 3.33Å; K298-C305 WeakPolarHBondContact CG-O 3.45Å; C305-C325 WeakPolarHBondContact CA-SG 2.88Å; C305-C325 HydrophobicContact CB-CB 3.54Å; C305-C325 WeakPolarHBondContact CB-SG 3.15Å; C305-C325 WeakPolarHBondContact SG-CB 2.93Å; C305-C325 CovalentContact SG-SG 2.03Å; C305-C325 PolarHBondContact SG-SG 3.24Å |
| 306 | E | 90.8 | Very high | 90.5 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 35% | 0.346 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 150.4 | 169.9 | -77.7 | 179.7 | 158.7 | 0 | 0 | 111.1 | H296 K298 F308 Y309 | H296-E306 WeakPolarHBondContact CA-OE2 3.11Å; H296-E306 IonicContact CG-OE2 3.17Å; H296-E306 IonicContact ND1-OE2 2.97Å; H296-E306 PolarHBondContact ND1-OE2 2.94Å; H296-E306 PolarHBondContact O-N 2.99Å; K298-E306 HydrophobicContact CB-CG 4.38Å; E306-F308 PolarHBondContact O-N 2.68Å; E306-Y309 HydrophobicContact CB-CD2 3.75Å; E306-Y309 HydrophobicContact CB-CE2 4.5Å; E306-Y309 HydrophobicContact CB-CG 4.31Å; E306-Y309 WeakPolarHBondContact O-CB 3.18Å; E306-Y309 PolarHBondContact O-N 3.29Å |
| 307 | D | 85.9 | Confident | 90.2 | Very high | 119 Ų | 119 | 47 Ų | 47 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 135.9 | 176.5 | -61.7 | -64.6 | 0 | 0 | 0 | 109.8 | K298 Y309 | K298-D307 IonicContact NZ-OD1 3.65Å; K298-D307 PolarHBondContact NZ-OD1 2.75Å; K298-D307 IonicContact NZ-OD2 2.69Å; K298-D307 PolarHBondContact NZ-OD2 3.28Å; D307-Y309 VanDerWaalsContact C-N 3.3Å; D307-Y309 PolarHBondContact O-N 2.9Å |
| 308 | F | 91.9 | Very high | 89.7 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -3.2 | -170.8 | -153.1 | -119.1 | 0 | 0 | 0 | 116.7 | E306 E327 C328 C330 G334 T335 C337 | E306-F308 PolarHBondContact O-N 2.68Å; F308-E327 HydrophobicContact CD1-CG 3.66Å; F308-E327 HydrophobicContact CE1-CG 3.89Å; F308-E327 WeakPolarHBondContact O-CA 3.13Å; F308-C328 HydrophobicContact CD2-CB 4.36Å; F308-C328 WeakPolarHBondContact CE1-O 2.84Å; F308-C328 HydrophobicContact CE2-CB 4.23Å; F308-C328 HydrophobicContact CZ-CB 4.46Å; F308-C328 WeakPolarHBondContact CZ-O 3.32Å; F308-C328 PolarHBondContact O-N 3.38Å; F308-C330 HydrophobicContact CE2-CB 4.2Å; F308-C330 WeakPolarHBondContact CE2-SG 3.32Å; F308-C330 HydrophobicContact CZ-CB 3.99Å; F308-G334 WeakPolarHBondContact CE2-O 3.36Å; F308-G334 WeakPolarHBondContact CZ-O 3.35Å; F308-T335 WeakPolarHBondContact CD2-O 3.25Å; F308-C337 HydrophobicContact CD2-CB 4.36Å; F308-C337 PolarHBondContact O-SG 2.79Å |
| 309 | Y | 93 | Very high | 89 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | trans | -99.3 | 33.6 | 176.5 | -71.8 | -96.7 | 0 | 0 | 0 | 114.2 | H296 E306 D307 C325 K326 E327 | H296-Y309 HydrophobicContact CB-CD1 3.51Å; H296-Y309 HydrophobicContact CB-CD2 4.29Å; H296-Y309 HydrophobicContact CB-CE1 3.98Å; H296-Y309 HydrophobicContact CB-CG 3.71Å; H296-Y309 AromaticContact CD2-CD1 3.83Å; H296-Y309 AromaticContact CD2-CE1 3.56Å; H296-Y309 AromaticContact CE1-CE1 3.6Å; H296-Y309 AromaticContact CE1-CZ 3.62Å; H296-Y309 AromaticContact CG-CD1 3.44Å; H296-Y309 VanDerWaalsContact CG-CD1 3.44Å; H296-Y309 AromaticContact CG-CE1 3.36Å; H296-Y309 AromaticContact CG-CZ 3.87Å; H296-Y309 AromaticContact ND1-CD1 3.88Å; H296-Y309 AromaticContact ND1-CE1 3.41Å; H296-Y309 WeakPolarHBondContact ND1-CE1 3.49Å; H296-Y309 AromaticContact ND1-CE2 3.87Å; H296-Y309 AromaticContact ND1-CZ 3.42Å; H296-Y309 AromaticContact NE2-CE1 3.74Å; E306-Y309 HydrophobicContact CB-CD2 3.75Å; E306-Y309 HydrophobicContact CB-CE2 4.5Å; E306-Y309 HydrophobicContact CB-CG 4.31Å; E306-Y309 WeakPolarHBondContact O-CB 3.18Å; E306-Y309 PolarHBondContact O-N 3.29Å; D307-Y309 VanDerWaalsContact C-N 3.3Å; D307-Y309 PolarHBondContact O-N 2.9Å; Y309-C325 WeakPolarHBondContact O-CB 2.94Å; Y309-K326 CarbonylContact C-O 3.59Å; Y309-K326 VanDerWaalsContact CA-O 3.26Å; Y309-K326 WeakPolarHBondContact CA-O 3.3Å; Y309-K326 PolarHBondContact O-N 2.58Å; Y309-K326 VanDerWaalsContact O-O 3.07Å; Y309-E327 HydrophobicContact CD1-CB 3.88Å; Y309-E327 VanDerWaalsContact CD1-N 3.34Å; Y309-E327 HydrophobicContact CE1-CB 3.65Å; Y309-E327 HydrophobicContact CE1-CG 4.12Å | ||
| 310 | N | 92.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 27.4 | -173.6 | -59.9 | -50.2 | 0 | 0 | 0 | 114.5 | L312 K326 C337 F339 | N310-L312 VanDerWaalsContact C-N 3.34Å; N310-K326 PolarHBondContact N-O 2.78Å; N310-C337 PolarHBondContact ND2-O 2.8Å; N310-F339 HydrophobicContact CB-CB 4.29Å; N310-F339 WeakPolarHBondContact O-CA 2.95Å; N310-F339 WeakPolarHBondContact O-CB 3.5Å |
| 311 | D | 92 | Very high | 88.3 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -79.3 | -16.8 | 177.8 | -169.7 | 48.8 | 0 | 0 | 0 | 113.7 | K326 S351 G352 G353 | D311-K326 HydrophobicContact CB-CB 4.18Å; D311-K326 HydrophobicContact CB-CD 4.18Å; D311-K326 HydrophobicContact CB-CG 4.14Å; D311-K326 VanDerWaalsContact CB-O 3.29Å; D311-K326 WeakPolarHBondContact CB-O 3.36Å; D311-K326 PolarHBondContact N-O 2.69Å; D311-K326 VanDerWaalsContact OD2-CD 3.3Å; D311-K326 WeakPolarHBondContact OD2-CD 3.06Å; D311-K326 WeakPolarHBondContact OD2-CE 3.39Å; D311-K326 IonicContact OD2-NZ 2.85Å; D311-K326 PolarHBondContact OD2-NZ 2.71Å; D311-S351 WeakPolarHBondContact OD1-CA 3.1Å; D311-S351 WeakPolarHBondContact OD1-CB 3.39Å; D311-S351 PolarHBondContact OD1-OG 3.18Å; D311-S351 PolarHBondContact OD2-OG 2.76Å; D311-G352 PolarHBondContact O-N 3.41Å; D311-G352 PolarHBondContact OD1-N 3.37Å; D311-G353 WeakPolarHBondContact OD1-CA 3.21Å; D311-G353 PolarHBondContact OD1-N 2.64Å |
| 312 | L | 91.3 | Very high | 88 | Confident | 52 Ų | 52 | 65.7 Ų | 65.7 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -131.1 | 153.8 | 175.1 | -66.4 | 179.2 | 0 | 0 | 0 | 109.8 | N310 K326 F344 | N310-L312 VanDerWaalsContact C-N 3.34Å; L312-K326 HydrophobicContact CB-CB 4.34Å; L312-K326 HydrophobicContact CD1-CB 3.89Å; L312-K326 HydrophobicContact CD1-CD 3.75Å; L312-K326 HydrophobicContact CD1-CG 4.46Å; L312-K326 HydrophobicContact CG-CB 3.92Å; L312-K326 HydrophobicContact CG-CD 3.8Å; L312-F344 HydrophobicContact CD2-CD2 4.28Å; L312-F344 HydrophobicContact CD2-CE2 3.46Å; L312-F344 VanDerWaalsContact CD2-CE2 3.46Å; L312-F344 HydrophobicContact CD2-CZ 4.16Å |
| 313 | P | 90.8 | Very high | 87.9 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 28% | 0.279 | 32% | 0.324 | S | S | . | . | trans | -72.4 | 138.7 | 175.9 | 30.5 | -32.1 | 0 | 0 | 0 | 110.6 | F339 F344 | P313-F339 HydrophobicContact CB-CD1 4.48Å; P313-F339 HydrophobicContact CB-CE1 3.99Å; P313-F339 HydrophobicContact CB-CE2 4.31Å; P313-F339 HydrophobicContact CB-CZ 3.89Å; P313-F339 VanDerWaalsContact CD-CE2 3.47Å; P313-F339 HydrophobicContact CG-CE1 4.48Å; P313-F339 HydrophobicContact CG-CE2 4.26Å; P313-F339 HydrophobicContact CG-CZ 3.92Å; P313-F344 HydrophobicContact CG-CE1 4.22Å; P313-F344 HydrophobicContact CG-CZ 4.47Å | ||
| 314 | W | 92.4 | Very high | 87.9 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | trans | -56.7 | 138.1 | 176.3 | 179 | 93.8 | 0 | 0 | 0 | 111.9 | Y260 C302 | Y260-W314 HydrophobicContact CD1-CH2 4.09Å; Y260-W314 AromaticContact CD2-CH2 3.87Å; Y260-W314 HydrophobicContact CD2-CH2 3.87Å; Y260-W314 AromaticContact CD2-CZ2 3.83Å; Y260-W314 HydrophobicContact CD2-CZ2 3.83Å; Y260-W314 HydrophobicContact CE2-CH2 4.4Å; Y260-W314 AromaticContact CG-CH2 3.7Å; Y260-W314 HydrophobicContact CG-CH2 3.7Å; Y260-W314 AromaticContact CG-CZ2 3.83Å; Y260-W314 HydrophobicContact CG-CZ2 3.83Å; C302-W314 WeakPolarHBondContact O-CZ2 2.87Å; C302-W314 PolarHBondContact O-NE1 2.04Å | ||
| 315 | K | 88.6 | Confident | 88 | Confident | 105 Ų | 105 | 62 Ų | 62 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | trans | -149.5 | 146.3 | 178.1 | -69 | 178.2 | -174.9 | 174.5 | 0 | 110.6 | H262 N323 | H262-K315 PolarHBondContact CE1-O 3.3Å; H262-K315 VanDerWaalsContact CE1-O 3.31Å; H262-K315 PolarHBondContact NE2-O 2.9Å; H262-K315 VanDerWaalsContact NE2-O 3.09Å; K315-N323 HydrophobicContact CB-CB 3.99Å; K315-N323 WeakPolarHBondContact O-CB 3.1Å | ||
| 316 | P | 88.3 | Confident | 88 | Confident | 26 Ų | 26 | 65.7 Ų | 65.7 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | trans | -64 | 148.7 | 175.5 | 28.8 | -36.2 | 0 | 0 | 0 | 111.9 | Y206 Y260 N323 | Y206-P316 HydrophobicContact CD1-CB 3.72Å; Y206-P316 HydrophobicContact CD1-CG 4.03Å; Y206-P316 HydrophobicContact CD2-CB 4.22Å; Y206-P316 HydrophobicContact CD2-CG 4.25Å; Y206-P316 HydrophobicContact CE1-CB 3.75Å; Y206-P316 HydrophobicContact CE2-CB 4.22Å; Y206-P316 HydrophobicContact CG-CB 3.94Å; Y206-P316 HydrophobicContact CG-CG 3.84Å; Y260-P316 HydrophobicContact CD1-CB 4.46Å; Y260-P316 CarbonylContact O-C 3.53Å; Y260-P316 WeakPolarHBondContact O-CA 3.33Å; P316-N323 PolarHBondContact O-ND2 3.47Å | ||
| 317 | A | 87.3 | Confident | 88 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -78.3 | 129.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | S20 Y22 Y206 Y260 G261 E321 T322 | S20-A317 WeakPolarHBondContact CB-O 3.49Å; Y22-A317 PolarHBondContact OH-O 3.18Å; Y206-A317 WeakPolarHBondContact CE2-O 3.24Å; Y206-A317 PolarHBondContact OH-O 2.83Å; Y260-A317 PolarHBondContact O-N 3.04Å; G261-A317 WeakPolarHBondContact O-CB 3Å; A317-E321 CarbonylContact C-O 3.46Å; A317-E321 WeakPolarHBondContact CA-O 3.19Å; A317-T322 VanDerWaalsContact CB-O 3.26Å; A317-T322 WeakPolarHBondContact CB-O 3.17Å | ||
| 318 | I | 81.7 | Confident | 88.3 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 32% | 0.323 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -126.4 | 119.7 | -172.9 | -52.6 | -177.9 | 0 | 0 | 0 | 110.1 | Y206 R320 E321 | Y206-I318 HydrophobicContact CD2-CD1 4.1Å; Y206-I318 HydrophobicContact CD2-CG1 3.78Å; Y206-I318 HydrophobicContact CE2-CG1 3.89Å; I318-R320 PolarHBondContact O-N 3.04Å; I318-E321 PolarHBondContact N-O 2.82Å; I318-E321 PolarHBondContact O-N 3.26Å |
| 319 | D | 76.3 | Confident | 88.3 | Confident | 131 Ų | 131 | 64.4 Ų | 64.4 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | -103.5 | -175.2 | -78.4 | -25.5 | 0 | 0 | 0 | 112.6 | R19 S20 | R19-D319 VanDerWaalsContact CB-O 3.3Å; R19-D319 WeakPolarHBondContact CB-O 3.42Å; S20-D319 WeakPolarHBondContact CB-O 3.31Å; S20-D319 PolarHBondContact N-O 2.71Å; S20-D319 WeakPolarHBondContact OG-CA 3.48Å; S20-D319 PolarHBondContact OG-N 2.88Å; S20-D319 PolarHBondContact OG-O 3.18Å |
| 320 | R | 79 | Confident | 88.4 | Confident | 220 Ų | 220 | 62.3 Ų | 62.3 | 83% | 0.83 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -14.8 | 179.8 | -65.2 | -176 | 178.8 | -167.5 | -2.9 | 114.2 | I318 T322 | I318-R320 PolarHBondContact O-N 3.04Å; R320-T322 PolarHBondContact O-N 3.07Å |
| 321 | E | 80.2 | Confident | 88.3 | Confident | 128 Ų | 128 | 61.9 Ų | 61.9 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | B | Isolated β-bridge | trans | -78.9 | 103.4 | 175.2 | -66.6 | 176.5 | -167.9 | 0 | 0 | 107.8 | A317 I318 N323 | A317-E321 CarbonylContact C-O 3.46Å; A317-E321 WeakPolarHBondContact CA-O 3.19Å; I318-E321 PolarHBondContact N-O 2.82Å; I318-E321 PolarHBondContact O-N 3.26Å; E321-N323 PolarHBondContact O-N 3.12Å |
| 322 | T | 84.1 | Confident | 88.1 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 23% | 0.233 | 33% | 0.331 | C | S | . | . | trans | -65.8 | -24.6 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | H262 H295 A317 R320 A324 | H262-T322 PolarHBondContact CE1-O 3.32Å; H295-T322 PolarHBondContact ND1-O 3.01Å; H295-T322 VanDerWaalsContact ND1-O 3.17Å; A317-T322 VanDerWaalsContact CB-O 3.26Å; A317-T322 WeakPolarHBondContact CB-O 3.17Å; R320-T322 PolarHBondContact O-N 3.07Å; T322-A324 PolarHBondContact O-N 3Å; T322-A324 VanDerWaalsContact O-N 3.08Å | ||
| 323 | N | 89 | Confident | 88.3 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | trans | 46.1 | 38.6 | -176 | -71.3 | -29.1 | 0 | 0 | 0 | 112.8 | K315 P316 E321 | K315-N323 HydrophobicContact CB-CB 3.99Å; K315-N323 WeakPolarHBondContact O-CB 3.1Å; P316-N323 PolarHBondContact O-ND2 3.47Å; E321-N323 PolarHBondContact O-N 3.12Å | ||
| 324 | A | 89 | Confident | 88 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | trans | -65.8 | 139.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H295 T322 | H295-A324 HydrophobicContact CB-CB 3.76Å; H295-A324 VanDerWaalsContact O-CA 3.28Å; H295-A324 WeakPolarHBondContact O-CA 3.36Å; H295-A324 WeakPolarHBondContact O-CB 2.91Å; T322-A324 PolarHBondContact O-N 3Å; T322-A324 VanDerWaalsContact O-N 3.08Å | ||
| 325 | C | 93 | Very high | 87.7 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | trans | -64.1 | 148 | 173.6 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | H295 H296 C305 Y309 | H295-C325 PolarHBondContact O-N 2.88Å; H296-C325 HydrophobicContact CB-CB 4Å; H296-C325 VanDerWaalsContact O-CB 3.26Å; H296-C325 WeakPolarHBondContact O-CB 3.15Å; C305-C325 WeakPolarHBondContact CA-SG 2.88Å; C305-C325 HydrophobicContact CB-CB 3.54Å; C305-C325 WeakPolarHBondContact CB-SG 3.15Å; C305-C325 WeakPolarHBondContact SG-CB 2.93Å; C305-C325 CovalentContact SG-SG 2.03Å; C305-C325 PolarHBondContact SG-SG 3.24Å; Y309-C325 WeakPolarHBondContact O-CB 2.94Å | ||
| 326 | K | 90.8 | Very high | 87.7 | Confident | 87 Ų | 87 | 65 Ų | 65 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -119.6 | 128.9 | -166.3 | -176.8 | -172.9 | 172.8 | -150.5 | 0 | 110.7 | Y309 N310 D311 L312 T350 | Y309-K326 CarbonylContact C-O 3.59Å; Y309-K326 VanDerWaalsContact CA-O 3.26Å; Y309-K326 WeakPolarHBondContact CA-O 3.3Å; Y309-K326 PolarHBondContact O-N 2.58Å; Y309-K326 VanDerWaalsContact O-O 3.07Å; N310-K326 PolarHBondContact N-O 2.78Å; D311-K326 HydrophobicContact CB-CB 4.18Å; D311-K326 HydrophobicContact CB-CD 4.18Å; D311-K326 HydrophobicContact CB-CG 4.14Å; D311-K326 VanDerWaalsContact CB-O 3.29Å; D311-K326 WeakPolarHBondContact CB-O 3.36Å; D311-K326 PolarHBondContact N-O 2.69Å; D311-K326 VanDerWaalsContact OD2-CD 3.3Å; D311-K326 WeakPolarHBondContact OD2-CD 3.06Å; D311-K326 WeakPolarHBondContact OD2-CE 3.39Å; D311-K326 IonicContact OD2-NZ 2.85Å; D311-K326 PolarHBondContact OD2-NZ 2.71Å; L312-K326 HydrophobicContact CB-CB 4.34Å; L312-K326 HydrophobicContact CD1-CB 3.89Å; L312-K326 HydrophobicContact CD1-CD 3.75Å; L312-K326 HydrophobicContact CD1-CG 4.46Å; L312-K326 HydrophobicContact CG-CB 3.92Å; L312-K326 HydrophobicContact CG-CD 3.8Å; K326-T350 PolarHBondContact NZ-O 3.38Å |
| 327 | E | 92.2 | Very high | 87.9 | Confident | 107 Ų | 107 | 64.2 Ų | 64.2 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | trans | -59.7 | 135.4 | -179.6 | -159 | 177.3 | 164.5 | 0 | 0 | 112 | F308 Y309 | F308-E327 HydrophobicContact CD1-CG 3.66Å; F308-E327 HydrophobicContact CE1-CG 3.89Å; F308-E327 WeakPolarHBondContact O-CA 3.13Å; Y309-E327 HydrophobicContact CD1-CB 3.88Å; Y309-E327 VanDerWaalsContact CD1-N 3.34Å; Y309-E327 HydrophobicContact CE1-CB 3.65Å; Y309-E327 HydrophobicContact CE1-CG 4.12Å | ||
| 328 | C | 91.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | trans | -74.3 | 131.9 | 176.1 | -66.9 | 0 | 0 | 0 | 0 | 112 | F308 C330 C337 | F308-C328 HydrophobicContact CD2-CB 4.36Å; F308-C328 WeakPolarHBondContact CE1-O 2.84Å; F308-C328 HydrophobicContact CE2-CB 4.23Å; F308-C328 HydrophobicContact CZ-CB 4.46Å; F308-C328 WeakPolarHBondContact CZ-O 3.32Å; F308-C328 PolarHBondContact O-N 3.38Å; C328-C330 PolarHBondContact O-N 2.78Å; C328-C337 HydrophobicContact CB-CB 3.49Å; C328-C337 VanDerWaalsContact CB-CB 3.49Å; C328-C337 WeakPolarHBondContact CB-SG 3.49Å; C328-C337 WeakPolarHBondContact SG-CB 3.33Å; C328-C337 CovalentContact SG-SG 2.02Å; C328-C337 PolarHBondContact SG-SG 2.75Å | ||
| 329 | N | 92.1 | Very high | 88.6 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | trans | -82.2 | 97.2 | 173.6 | 179.8 | 16.4 | 0 | 0 | 0 | 111.5 | N331 N366 | N329-N331 PolarHBondContact OD1-N 3.33Å; N329-N366 WeakPolarHBondContact O-CA 2.98Å; N329-N366 VanDerWaalsContact O-CB 3.29Å; N329-N366 WeakPolarHBondContact O-CB 2.76Å; N329-N366 PolarHBondContact O-ND2 2.68Å | ||
| 330 | C | 93.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | trans | -104.4 | 19.9 | 172.4 | -54.6 | 0 | 0 | 0 | 0 | 113.7 | F308 C328 G332 H333 C355 N366 | F308-C330 HydrophobicContact CE2-CB 4.2Å; F308-C330 WeakPolarHBondContact CE2-SG 3.32Å; F308-C330 HydrophobicContact CZ-CB 3.99Å; C328-C330 PolarHBondContact O-N 2.78Å; C330-G332 PolarHBondContact O-N 3.41Å; C330-H333 WeakPolarHBondContact O-CB 3.4Å; C330-H333 PolarHBondContact O-N 2.75Å; C330-C355 WeakPolarHBondContact CA-SG 3.42Å; C330-C355 HydrophobicContact CB-CB 3.85Å; C330-C355 WeakPolarHBondContact CB-SG 3.37Å; C330-C355 WeakPolarHBondContact SG-CB 3.27Å; C330-C355 CovalentContact SG-SG 2.02Å; C330-C355 PolarHBondContact SG-SG 2.7Å; C330-N366 CarbonylContact C-O 3.57Å; C330-N366 VanDerWaalsContact C-O 3.25Å; C330-N366 WeakPolarHBondContact CA-O 3.45Å | ||
| 331 | N | 90.4 | Very high | 89.7 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 22.8 | -178.1 | -68 | -72.1 | 0 | 0 | 0 | 115 | N329 H333 N366 I382 S383 | N329-N331 PolarHBondContact OD1-N 3.33Å; N331-H333 VanDerWaalsContact C-N 3.3Å; N331-H333 PolarHBondContact O-CD2 3.11Å; N331-H333 VanDerWaalsContact O-CD2 3.25Å; N331-N366 PolarHBondContact ND2-O 3.49Å; N331-I382 HydrophobicContact CB-CG1 4.5Å; N331-I382 HydrophobicContact CB-CG2 4.49Å; N331-I382 WeakPolarHBondContact OD1-CG2 3.45Å; N331-S383 WeakPolarHBondContact O-CA 3.43Å; N331-S383 VanDerWaalsContact O-CB 3.25Å; N331-S383 WeakPolarHBondContact O-CB 3.42Å |
| 332 | G | 88.5 | Confident | 89.7 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 11.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | C330 | C330-G332 PolarHBondContact O-N 3.41Š|
| 333 | H | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -106.3 | 2.2 | -178.9 | -68.2 | -73.3 | 0 | 0 | 0 | 114.4 | C330 N331 Q359 H360 T362 C367 I382 | C330-H333 WeakPolarHBondContact O-CB 3.4Å; C330-H333 PolarHBondContact O-N 2.75Å; N331-H333 VanDerWaalsContact C-N 3.3Å; N331-H333 PolarHBondContact O-CD2 3.11Å; N331-H333 VanDerWaalsContact O-CD2 3.25Å; H333-Q359 WeakPolarHBondContact O-CB 2.98Å; H333-Q359 PolarHBondContact O-N 2.84Å; H333-H360 AromaticContact CE1-CG 3.86Å; H333-H360 AromaticContact CE1-ND1 3.4Å; H333-H360 PolarHBondContact CE1-ND1 3.48Å; H333-H360 VanDerWaalsContact ND1-CB 3.3Å; H333-H360 WeakPolarHBondContact ND1-CB 3.34Å; H333-H360 AromaticContact ND1-CG 3.45Å; H333-H360 AromaticContact ND1-ND1 2.94Å; H333-H360 PolarHBondContact ND1-ND1 3.25Å; H333-T362 WeakPolarHBondContact CB-OG1 3.19Å; H333-C367 HydrophobicContact CB-CB 3.51Å; H333-I382 PolarHBondContact CD2-O 3.03Å; H333-I382 PolarHBondContact NE2-O 2.75Å |
| 334 | G | 85.5 | Confident | 89.8 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | trans | -153 | 154.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F308 | F308-G334 WeakPolarHBondContact CE2-O 3.36Å; F308-G334 WeakPolarHBondContact CZ-O 3.35Å | ||
| 335 | T | 85.2 | Confident | 89.4 | Confident | 123 Ų | 123 | 57.5 Ų | 57.5 | 76% | 0.755 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -121.3 | 6.8 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | F308 | F308-T335 WeakPolarHBondContact CD2-O 3.25Š|
| 336 | R | 89.3 | Confident | 88.7 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | trans | -137.5 | 145 | 178.9 | -66.6 | 178.9 | 65.8 | -146.1 | -3 | 109.3 | D356 | R336-D356 HydrophobicContact CB-CB 4.16Å; R336-D356 PolarHBondContact O-N 2.6Å | ||
| 337 | C | 92.5 | Very high | 88.2 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.054 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 158.2 | 174.2 | 65.1 | 0 | 0 | 0 | 0 | 110 | F308 N310 C328 V354 D356 | F308-C337 HydrophobicContact CD2-CB 4.36Å; F308-C337 PolarHBondContact O-SG 2.79Å; N310-C337 PolarHBondContact ND2-O 2.8Å; C328-C337 HydrophobicContact CB-CB 3.49Å; C328-C337 VanDerWaalsContact CB-CB 3.49Å; C328-C337 WeakPolarHBondContact CB-SG 3.49Å; C328-C337 WeakPolarHBondContact SG-CB 3.33Å; C328-C337 CovalentContact SG-SG 2.02Å; C328-C337 PolarHBondContact SG-SG 2.75Å; C337-V354 WeakPolarHBondContact CA-O 3.47Å; C337-V354 WeakPolarHBondContact CB-O 3.34Å; C337-D356 WeakPolarHBondContact CA-OD2 3.02Å; C337-D356 PolarHBondContact N-OD2 2.87Å |
| 338 | H | 92.2 | Very high | 87.5 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 161.4 | 170.1 | 64 | -85.3 | 0 | 0 | 0 | 110.8 | V354 D356 | H338-V354 PolarHBondContact N-O 3.25Å; H338-V354 VanDerWaalsContact N-O 3.09Å; H338-V354 PolarHBondContact O-N 2.69Å; H338-D356 IonicContact CE1-OD1 3.79Å; H338-D356 PolarHBondContact CE1-OD1 2.75Å; H338-D356 IonicContact ND1-OD1 3.72Å; H338-D356 PolarHBondContact ND1-OD1 3.37Å; H338-D356 IonicContact ND1-OD2 3.27Å |
| 339 | F | 92.6 | Very high | 87.2 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 25% | 0.254 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.2 | 173.3 | 178.2 | -99.3 | 0 | 0 | 0 | 110 | N310 P313 H341 F344 | N310-F339 HydrophobicContact CB-CB 4.29Å; N310-F339 WeakPolarHBondContact O-CA 2.95Å; N310-F339 WeakPolarHBondContact O-CB 3.5Å; P313-F339 HydrophobicContact CB-CD1 4.48Å; P313-F339 HydrophobicContact CB-CE1 3.99Å; P313-F339 HydrophobicContact CB-CE2 4.31Å; P313-F339 HydrophobicContact CB-CZ 3.89Å; P313-F339 VanDerWaalsContact CD-CE2 3.47Å; P313-F339 HydrophobicContact CG-CE1 4.48Å; P313-F339 HydrophobicContact CG-CE2 4.26Å; P313-F339 HydrophobicContact CG-CZ 3.92Å; F339-H341 HydrophobicContact CE1-CB 4.16Å; F339-F344 HydrophobicContact CE2-CB 3.75Å; F339-F344 HydrophobicContact CE2-CD1 4.28Å; F339-F344 AromaticContact CE2-CD2 3.99Å; F339-F344 HydrophobicContact CE2-CD2 3.99Å; F339-F344 AromaticContact CE2-CG 3.76Å; F339-F344 HydrophobicContact CE2-CG 3.76Å; F339-F344 HydrophobicContact CZ-CB 3.57Å; F339-F344 AromaticContact CZ-CD1 3.77Å; F339-F344 HydrophobicContact CZ-CD1 3.77Å; F339-F344 HydrophobicContact CZ-CD2 4.31Å; F339-F344 AromaticContact CZ-CG 3.63Å; F339-F344 HydrophobicContact CZ-CG 3.63Å |
| 340 | D | 89.5 | Confident | 86.7 | Confident | 57 Ų | 57 | 62 Ų | 62 | 31% | 0.305 | 36% | 0.363 | S | S | . | . | trans | -113.1 | 121.4 | 172.2 | -176.5 | -54.7 | 0 | 0 | 0 | 110 | A342 V343 F344 G352 V354 | D340-A342 WeakPolarHBondContact OD1-CA 3.16Å; D340-A342 WeakPolarHBondContact OD1-CB 3.42Å; D340-A342 PolarHBondContact OD1-N 2.78Å; D340-V343 HydrophobicContact CB-CB 4.04Å; D340-V343 HydrophobicContact CB-CG2 3.86Å; D340-V343 PolarHBondContact O-N 2.91Å; D340-V343 PolarHBondContact OD1-N 2.84Å; D340-F344 WeakPolarHBondContact O-CB 3.5Å; D340-F344 PolarHBondContact O-N 3.06Å; D340-G352 PolarHBondContact N-O 3.32Å; D340-V354 HydrophobicContact CB-CG2 3.93Å | ||
| 341 | H | 87.3 | Confident | 86.5 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 50% | 0.495 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.4 | -33.2 | -177.6 | -167.6 | -82.5 | 0 | 0 | 0 | 113.1 | F339 F344 E345 | F339-H341 HydrophobicContact CE1-CB 4.16Å; H341-F344 WeakPolarHBondContact O-CB 3.17Å; H341-F344 PolarHBondContact O-N 3.31Å; H341-E345 VanDerWaalsContact CE1-CD 3.42Å; H341-E345 IonicContact CE1-OE1 3.23Å; H341-E345 PolarHBondContact CE1-OE1 2.94Å; H341-E345 VanDerWaalsContact CE1-OE1 3.3Å; H341-E345 IonicContact CE1-OE2 3.39Å; H341-E345 IonicContact ND1-OE1 2.68Å; H341-E345 IonicContact ND1-OE2 3.16Å; H341-E345 WeakPolarHBondContact O-CG 3.17Å; H341-E345 PolarHBondContact O-N 3.45Å |
| 342 | A | 80.7 | Confident | 86.5 | Confident | 64 Ų | 64 | 61.7 Ų | 61.7 | 53% | 0.529 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73 | -36.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D340 F344 A346 | D340-A342 WeakPolarHBondContact OD1-CA 3.16Å; D340-A342 WeakPolarHBondContact OD1-CB 3.42Å; D340-A342 PolarHBondContact OD1-N 2.78Å; A342-F344 VanDerWaalsContact C-N 3.34Å; A342-A346 WeakPolarHBondContact O-CB 3.19Å; A342-A346 PolarHBondContact O-N 3.06Å |
| 343 | V | 86.1 | Confident | 86.6 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 170.1 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | D340 A346 S347 V354 | D340-V343 HydrophobicContact CB-CB 4.04Å; D340-V343 HydrophobicContact CB-CG2 3.86Å; D340-V343 PolarHBondContact O-N 2.91Å; D340-V343 PolarHBondContact OD1-N 2.84Å; V343-A346 PolarHBondContact O-N 2.75Å; V343-S347 WeakPolarHBondContact O-CB 3.48Å; V343-S347 PolarHBondContact O-N 2.85Å; V343-S347 PolarHBondContact O-OG 2.87Å; V343-V354 HydrophobicContact CB-CG2 4.39Å; V343-V354 HydrophobicContact CG1-CG2 4.43Å; V343-V354 HydrophobicContact CG2-CG2 3.86Å |
| 344 | F | 89 | Confident | 86.7 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 176.2 | -172.6 | -122.5 | 0 | 0 | 0 | 112.6 | L312 P313 F339 D340 H341 A342 S347 F349 S351 | L312-F344 HydrophobicContact CD2-CD2 4.28Å; L312-F344 HydrophobicContact CD2-CE2 3.46Å; L312-F344 VanDerWaalsContact CD2-CE2 3.46Å; L312-F344 HydrophobicContact CD2-CZ 4.16Å; P313-F344 HydrophobicContact CG-CE1 4.22Å; P313-F344 HydrophobicContact CG-CZ 4.47Å; F339-F344 HydrophobicContact CE2-CB 3.75Å; F339-F344 HydrophobicContact CE2-CD1 4.28Å; F339-F344 AromaticContact CE2-CD2 3.99Å; F339-F344 HydrophobicContact CE2-CD2 3.99Å; F339-F344 AromaticContact CE2-CG 3.76Å; F339-F344 HydrophobicContact CE2-CG 3.76Å; F339-F344 HydrophobicContact CZ-CB 3.57Å; F339-F344 AromaticContact CZ-CD1 3.77Å; F339-F344 HydrophobicContact CZ-CD1 3.77Å; F339-F344 HydrophobicContact CZ-CD2 4.31Å; F339-F344 AromaticContact CZ-CG 3.63Å; F339-F344 HydrophobicContact CZ-CG 3.63Å; D340-F344 WeakPolarHBondContact O-CB 3.5Å; D340-F344 PolarHBondContact O-N 3.06Å; H341-F344 WeakPolarHBondContact O-CB 3.17Å; H341-F344 PolarHBondContact O-N 3.31Å; A342-F344 VanDerWaalsContact C-N 3.34Å; F344-S347 PolarHBondContact O-N 2.93Å; F344-S347 PolarHBondContact O-OG 2.61Å; F344-F349 AromaticContact CD1-CD1 3.92Å; F344-F349 HydrophobicContact CD1-CD1 3.92Å; F344-F349 HydrophobicContact CE1-CB 3.97Å; F344-F349 AromaticContact CE1-CD1 3.66Å; F344-F349 HydrophobicContact CE1-CD1 3.66Å; F344-F349 HydrophobicContact CE1-CG 4.32Å; F344-F349 HydrophobicContact CE2-CB 4.21Å; F344-F349 VanDerWaalsContact CE2-O 3.26Å; F344-F349 WeakPolarHBondContact CE2-O 3.39Å; F344-F349 HydrophobicContact CZ-CB 3.75Å; F344-F349 HydrophobicContact CZ-CD1 4.32Å; F344-F349 WeakPolarHBondContact CZ-O 3.1Å; F344-F349 WeakPolarHBondContact O-CA 3.44Å; F344-F349 PolarHBondContact O-N 2.73Å; F344-S351 WeakPolarHBondContact CA-O 2.97Å |
| 345 | E | 81.5 | Confident | 87 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 175.2 | -73 | -176.9 | 141.7 | 0 | 0 | 112.1 | H341 S347 G348 F349 | H341-E345 VanDerWaalsContact CE1-CD 3.42Å; H341-E345 IonicContact CE1-OE1 3.23Å; H341-E345 PolarHBondContact CE1-OE1 2.94Å; H341-E345 VanDerWaalsContact CE1-OE1 3.3Å; H341-E345 IonicContact CE1-OE2 3.39Å; H341-E345 IonicContact ND1-OE1 2.68Å; H341-E345 IonicContact ND1-OE2 3.16Å; H341-E345 WeakPolarHBondContact O-CG 3.17Å; H341-E345 PolarHBondContact O-N 3.45Å; E345-S347 PolarHBondContact O-N 2.89Å; E345-G348 PolarHBondContact O-N 3.3Å; E345-F349 HydrophobicContact CG-CE1 3.84Å; E345-F349 HydrophobicContact CG-CZ 4.28Å |
| 346 | A | 78.1 | Confident | 87.3 | Confident | 92 Ų | 92 | 56 Ų | 56 | 76% | 0.76 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.3 | -25.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A342 V343 G348 | A342-A346 WeakPolarHBondContact O-CB 3.19Å; A342-A346 PolarHBondContact O-N 3.06Å; V343-A346 PolarHBondContact O-N 2.75Å; A346-G348 VanDerWaalsContact C-N 3.27Å; A346-G348 PolarHBondContact O-N 3.17Å |
| 347 | S | 80.6 | Confident | 87.3 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.2 | 172.6 | 79.5 | 0 | 0 | 0 | 0 | 114.3 | V343 F344 E345 T350 S351 | V343-S347 WeakPolarHBondContact O-CB 3.48Å; V343-S347 PolarHBondContact O-N 2.85Å; V343-S347 PolarHBondContact O-OG 2.87Å; F344-S347 PolarHBondContact O-N 2.93Å; F344-S347 PolarHBondContact O-OG 2.61Å; E345-S347 PolarHBondContact O-N 2.89Å; S347-T350 WeakPolarHBondContact CB-OG1 3.49Å; S347-T350 PolarHBondContact O-OG1 3.02Å; S347-T350 PolarHBondContact OG-N 3.48Å; S347-T350 PolarHBondContact OG-OG1 3.38Å; S347-S351 VanDerWaalsContact CB-O 3.31Å; S347-S351 WeakPolarHBondContact CB-O 3.37Å; S347-S351 PolarHBondContact OG-N 3.29Å; S347-S351 PolarHBondContact OG-O 2.69Å |
| 348 | G | 77.5 | Confident | 87.2 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 36 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E345 A346 | E345-G348 PolarHBondContact O-N 3.3Å; A346-G348 VanDerWaalsContact C-N 3.27Å; A346-G348 PolarHBondContact O-N 3.17Å |
| 349 | F | 84.4 | Confident | 87.2 | Confident | 131 Ų | 131 | 56.3 Ų | 56.3 | 58% | 0.575 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 64.1 | 37 | -177.2 | -48.7 | -83.9 | 0 | 0 | 0 | 114.1 | F344 E345 | F344-F349 AromaticContact CD1-CD1 3.92Å; F344-F349 HydrophobicContact CD1-CD1 3.92Å; F344-F349 HydrophobicContact CE1-CB 3.97Å; F344-F349 AromaticContact CE1-CD1 3.66Å; F344-F349 HydrophobicContact CE1-CD1 3.66Å; F344-F349 HydrophobicContact CE1-CG 4.32Å; F344-F349 HydrophobicContact CE2-CB 4.21Å; F344-F349 VanDerWaalsContact CE2-O 3.26Å; F344-F349 WeakPolarHBondContact CE2-O 3.39Å; F344-F349 HydrophobicContact CZ-CB 3.75Å; F344-F349 HydrophobicContact CZ-CD1 4.32Å; F344-F349 WeakPolarHBondContact CZ-O 3.1Å; F344-F349 WeakPolarHBondContact O-CA 3.44Å; F344-F349 PolarHBondContact O-N 2.73Å; E345-F349 HydrophobicContact CG-CE1 3.84Å; E345-F349 HydrophobicContact CG-CZ 4.28Å |
| 350 | T | 82.8 | Confident | 87.3 | Confident | 85 Ų | 85 | 57.1 Ų | 57.1 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -114.4 | -31.6 | -175.8 | 63.5 | 0 | 0 | 0 | 0 | 115.5 | K326 S347 | K326-T350 PolarHBondContact NZ-O 3.38Å; S347-T350 WeakPolarHBondContact CB-OG1 3.49Å; S347-T350 PolarHBondContact O-OG1 3.02Å; S347-T350 PolarHBondContact OG-N 3.48Å; S347-T350 PolarHBondContact OG-OG1 3.38Å |
| 351 | S | 88.5 | Confident | 87.4 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | trans | -159.4 | 122.9 | -178.2 | 168 | 0 | 0 | 0 | 0 | 110.1 | D311 F344 S347 | D311-S351 WeakPolarHBondContact OD1-CA 3.1Å; D311-S351 WeakPolarHBondContact OD1-CB 3.39Å; D311-S351 PolarHBondContact OD1-OG 3.18Å; D311-S351 PolarHBondContact OD2-OG 2.76Å; F344-S351 WeakPolarHBondContact CA-O 2.97Å; S347-S351 VanDerWaalsContact CB-O 3.31Å; S347-S351 WeakPolarHBondContact CB-O 3.37Å; S347-S351 PolarHBondContact OG-N 3.29Å; S347-S351 PolarHBondContact OG-O 2.69Å | ||
| 352 | G | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -116.6 | 1.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D311 D340 V354 | D311-G352 PolarHBondContact O-N 3.41Å; D311-G352 PolarHBondContact OD1-N 3.37Å; D340-G352 PolarHBondContact N-O 3.32Å; G352-V354 PolarHBondContact O-N 3.11Å | ||
| 353 | G | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 126.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | D311 | D311-G353 WeakPolarHBondContact OD1-CA 3.21Å; D311-G353 PolarHBondContact OD1-N 2.64Å |
| 354 | V | 94.2 | Very high | 88.2 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.9 | 173.2 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | C337 H338 D340 V343 G352 K365 | C337-V354 WeakPolarHBondContact CA-O 3.47Å; C337-V354 WeakPolarHBondContact CB-O 3.34Å; H338-V354 PolarHBondContact N-O 3.25Å; H338-V354 VanDerWaalsContact N-O 3.09Å; H338-V354 PolarHBondContact O-N 2.69Å; D340-V354 HydrophobicContact CB-CG2 3.93Å; V343-V354 HydrophobicContact CB-CG2 4.39Å; V343-V354 HydrophobicContact CG1-CG2 4.43Å; V343-V354 HydrophobicContact CG2-CG2 3.86Å; G352-V354 PolarHBondContact O-N 3.11Å; V354-K365 HydrophobicContact CG1-CB 4.4Å |
| 355 | C | 93.5 | Very high | 88.2 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.2 | -176.4 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | C330 K365 | C330-C355 WeakPolarHBondContact CA-SG 3.42Å; C330-C355 HydrophobicContact CB-CB 3.85Å; C330-C355 WeakPolarHBondContact CB-SG 3.37Å; C330-C355 WeakPolarHBondContact SG-CB 3.27Å; C330-C355 CovalentContact SG-SG 2.02Å; C330-C355 PolarHBondContact SG-SG 2.7Å; C355-K365 WeakPolarHBondContact CB-O 3.3Å; C355-K365 PolarHBondContact N-O 2.75Å; C355-K365 PolarHBondContact SG-O 2.68Å |
| 356 | D | 89.9 | Confident | 88.7 | Confident | 42 Ų | 42 | 53.8 Ų | 53.8 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -92.8 | 144.9 | 176 | -51.9 | -50.6 | 0 | 0 | 0 | 110.5 | R336 C337 H338 C358 | R336-D356 HydrophobicContact CB-CB 4.16Å; R336-D356 PolarHBondContact O-N 2.6Å; C337-D356 WeakPolarHBondContact CA-OD2 3.02Å; C337-D356 PolarHBondContact N-OD2 2.87Å; H338-D356 IonicContact CE1-OD1 3.79Å; H338-D356 PolarHBondContact CE1-OD1 2.75Å; H338-D356 IonicContact ND1-OD1 3.72Å; H338-D356 PolarHBondContact ND1-OD1 3.37Å; H338-D356 IonicContact ND1-OD2 3.27Å; D356-C358 PolarHBondContact O-N 2.97Å |
| 357 | D | 90.1 | Very high | 89.4 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 52.8 | 50.6 | 170.1 | -64.5 | -40 | 0 | 0 | 0 | 116.9 | Q359 | D357-Q359 PolarHBondContact O-N 3.48Å; D357-Q359 VanDerWaalsContact O-N 3.16Å; D357-Q359 PolarHBondContact O-NE2 2.78Å |
| 358 | C | 91.4 | Very high | 89.9 | Confident | 18 Ų | 18 | 51 Ų | 51 | 12% | 0.122 | 28% | 0.28 | C | S | . | . | trans | -49.5 | 118 | 177.8 | -63.2 | 0 | 0 | 0 | 0 | 114.6 | D356 T362 C367 K371 | D356-C358 PolarHBondContact O-N 2.97Å; C358-T362 VanDerWaalsContact CB-O 3.23Å; C358-T362 WeakPolarHBondContact CB-O 3.29Å; C358-C367 VanDerWaalsContact CA-SG 3.54Å; C358-C367 HydrophobicContact CB-CB 3.76Å; C358-C367 WeakPolarHBondContact CB-SG 3.33Å; C358-C367 WeakPolarHBondContact SG-CA 2.85Å; C358-C367 WeakPolarHBondContact SG-CB 3.29Å; C358-C367 CovalentContact SG-SG 2.04Å; C358-C367 PolarHBondContact SG-SG 2.63Å; C358-K371 PolarHBondContact O-NZ 2.68Å | ||
| 359 | Q | 91.8 | Very high | 90.5 | Very high | 111 Ų | 111 | 50.7 Ų | 50.7 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | trans | -84.7 | -173.7 | -178.1 | -60.9 | -58.3 | -43.3 | 0 | 0 | 112.6 | H333 D357 N361 T362 | H333-Q359 WeakPolarHBondContact O-CB 2.98Å; H333-Q359 PolarHBondContact O-N 2.84Å; D357-Q359 PolarHBondContact O-N 3.48Å; D357-Q359 VanDerWaalsContact O-N 3.16Å; D357-Q359 PolarHBondContact O-NE2 2.78Å; Q359-N361 PolarHBondContact O-N 2.64Å; Q359-T362 PolarHBondContact O-N 2.73Å; Q359-T362 PolarHBondContact O-OG1 3.4Å | ||
| 360 | H | 93.2 | Very high | 90.8 | Very high | 75 Ų | 75 | 45.1 Ų | 45.1 | 35% | 0.347 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 27.1 | 171.8 | -48.4 | 142.3 | 0 | 0 | 0 | 116.1 | H333 T362 P385 | H333-H360 AromaticContact CE1-CG 3.86Å; H333-H360 AromaticContact CE1-ND1 3.4Å; H333-H360 PolarHBondContact CE1-ND1 3.48Å; H333-H360 VanDerWaalsContact ND1-CB 3.3Å; H333-H360 WeakPolarHBondContact ND1-CB 3.34Å; H333-H360 AromaticContact ND1-CG 3.45Å; H333-H360 AromaticContact ND1-ND1 2.94Å; H333-H360 PolarHBondContact ND1-ND1 3.25Å; H360-T362 VanDerWaalsContact C-N 3.28Å; H360-T362 PolarHBondContact O-N 2.73Å; H360-P385 WeakPolarHBondContact CB-O 3.18Å |
| 361 | N | 92.3 | Very high | 91.2 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 26.4 | -173.4 | -52.7 | -53.9 | 0 | 0 | 0 | 115.3 | Q359 K371 F374 C388 | Q359-N361 PolarHBondContact O-N 2.64Å; N361-K371 WeakPolarHBondContact O-CG 3.5Å; N361-K371 PolarHBondContact O-N 2.67Å; N361-F374 HydrophobicContact CB-CD1 4.24Å; N361-F374 HydrophobicContact CB-CD2 4.2Å; N361-F374 HydrophobicContact CB-CE1 4.32Å; N361-F374 HydrophobicContact CB-CE2 4.28Å; N361-F374 HydrophobicContact CB-CG 4.2Å; N361-F374 HydrophobicContact CB-CZ 4.34Å; N361-F374 WeakPolarHBondContact ND2-CE1 3.03Å; N361-C388 HydrophobicContact CB-CB 4.2Å |
| 362 | T | 92.7 | Very high | 91 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 162.6 | 170.4 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | H333 C358 Q359 H360 C367 A369 K371 V387 | H333-T362 WeakPolarHBondContact CB-OG1 3.19Å; C358-T362 VanDerWaalsContact CB-O 3.23Å; C358-T362 WeakPolarHBondContact CB-O 3.29Å; Q359-T362 PolarHBondContact O-N 2.73Å; Q359-T362 PolarHBondContact O-OG1 3.4Å; H360-T362 VanDerWaalsContact C-N 3.28Å; H360-T362 PolarHBondContact O-N 2.73Å; T362-C367 WeakPolarHBondContact CB-O 3.15Å; T362-C367 PolarHBondContact OG1-O 3.38Å; T362-A369 CarbonylContact C-O 3.54Å; T362-A369 WeakPolarHBondContact CA-O 3.35Å; T362-A369 WeakPolarHBondContact CB-O 2.91Å; T362-K371 WeakPolarHBondContact O-CE 2.71Å; T362-V387 HydrophobicContact CG2-CG1 4.33Å |
| 363 | M | 91.2 | Very high | 91 | Very high | 83 Ų | 83 | 52 Ų | 52 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 174.3 | 177.9 | 56 | 156.6 | 49.1 | 0 | 0 | 109.9 | C367 E368 A369 K371 | M363-C367 CarbonylContact O-C 3.53Å; M363-E368 PolarHBondContact O-N 3.49Å; M363-E368 VanDerWaalsContact O-N 3.09Å; M363-A369 HydrophobicContact CG-CB 4.37Å; M363-A369 PolarHBondContact N-O 2.72Å; M363-A369 PolarHBondContact O-N 2.69Å; M363-K371 HydrophobicContact CB-CG 4.13Å; M363-K371 HydrophobicContact CE-CB 4.31Å; M363-K371 HydrophobicContact CE-CG 3.98Å; M363-K371 HydrophobicContact CG-CG 4.13Å |
| 364 | G | 87.6 | Confident | 91 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 103.6 | 166.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N366 C367 E368 | G364-N366 PolarHBondContact O-N 3.45Å; G364-C367 PolarHBondContact O-N 2.7Å; G364-C367 VanDerWaalsContact O-N 3.15Å; G364-E368 VanDerWaalsContact CA-OE2 3.27Å; G364-E368 WeakPolarHBondContact CA-OE2 3.09Å |
| 365 | K | 89.6 | Confident | 90.9 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.9 | -173.6 | 51.7 | 153.1 | -173.1 | 168.7 | 0 | 113.4 | V354 C355 E368 | V354-K365 HydrophobicContact CG1-CB 4.4Å; C355-K365 WeakPolarHBondContact CB-O 3.3Å; C355-K365 PolarHBondContact N-O 2.75Å; C355-K365 PolarHBondContact SG-O 2.68Å; K365-E368 PolarHBondContact N-OE2 2.78Å |
| 366 | N | 92 | Very high | 90.7 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 12.9 | 176.6 | -65.3 | 98.6 | 0 | 0 | 0 | 111 | N329 C330 N331 G364 E368 | N329-N366 WeakPolarHBondContact O-CA 2.98Å; N329-N366 VanDerWaalsContact O-CB 3.29Å; N329-N366 WeakPolarHBondContact O-CB 2.76Å; N329-N366 PolarHBondContact O-ND2 2.68Å; C330-N366 CarbonylContact C-O 3.57Å; C330-N366 VanDerWaalsContact C-O 3.25Å; C330-N366 WeakPolarHBondContact CA-O 3.45Å; N331-N366 PolarHBondContact ND2-O 3.49Å; G364-N366 PolarHBondContact O-N 3.45Å; N366-E368 VanDerWaalsContact C-N 3.3Å; N366-E368 VanDerWaalsContact C-OE2 3.22Å; N366-E368 VanDerWaalsContact CA-OE2 3.28Å; N366-E368 WeakPolarHBondContact CA-OE2 3.16Å; N366-E368 HydrophobicContact CB-CB 4.44Å; N366-E368 WeakPolarHBondContact CB-OE2 3.06Å; N366-E368 PolarHBondContact N-OE2 2.68Å; N366-E368 PolarHBondContact O-N 2.7Å |
| 367 | C | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 55.2 | 40 | -172.2 | -52.1 | 0 | 0 | 0 | 0 | 114 | H333 C358 T362 M363 G364 | H333-C367 HydrophobicContact CB-CB 3.51Å; C358-C367 VanDerWaalsContact CA-SG 3.54Å; C358-C367 HydrophobicContact CB-CB 3.76Å; C358-C367 WeakPolarHBondContact CB-SG 3.33Å; C358-C367 WeakPolarHBondContact SG-CA 2.85Å; C358-C367 WeakPolarHBondContact SG-CB 3.29Å; C358-C367 CovalentContact SG-SG 2.04Å; C358-C367 PolarHBondContact SG-SG 2.63Å; T362-C367 WeakPolarHBondContact CB-O 3.15Å; T362-C367 PolarHBondContact OG1-O 3.38Å; M363-C367 CarbonylContact O-C 3.53Å; G364-C367 PolarHBondContact O-N 2.7Å; G364-C367 VanDerWaalsContact O-N 3.15Å |
| 368 | E | 89.7 | Confident | 90.3 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | trans | -94.1 | -13.2 | -166.5 | 70.8 | -84.3 | -155.7 | 0 | 0 | 116 | M363 G364 K365 N366 I382 | M363-E368 PolarHBondContact O-N 3.49Å; M363-E368 VanDerWaalsContact O-N 3.09Å; G364-E368 VanDerWaalsContact CA-OE2 3.27Å; G364-E368 WeakPolarHBondContact CA-OE2 3.09Å; K365-E368 PolarHBondContact N-OE2 2.78Å; N366-E368 VanDerWaalsContact C-N 3.3Å; N366-E368 VanDerWaalsContact C-OE2 3.22Å; N366-E368 VanDerWaalsContact CA-OE2 3.28Å; N366-E368 WeakPolarHBondContact CA-OE2 3.16Å; N366-E368 HydrophobicContact CB-CB 4.44Å; N366-E368 WeakPolarHBondContact CB-OE2 3.06Å; N366-E368 PolarHBondContact N-OE2 2.68Å; N366-E368 PolarHBondContact O-N 2.7Å; E368-I382 HydrophobicContact CB-CD1 4.09Å; E368-I382 WeakPolarHBondContact O-CD1 3.47Å | ||
| 369 | A | 90 | Very high | 89.9 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 161.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T362 M363 | T362-A369 CarbonylContact C-O 3.54Å; T362-A369 WeakPolarHBondContact CA-O 3.35Å; T362-A369 WeakPolarHBondContact CB-O 2.91Å; M363-A369 HydrophobicContact CG-CB 4.37Å; M363-A369 PolarHBondContact N-O 2.72Å; M363-A369 PolarHBondContact O-N 2.69Å |
| 370 | C | 92.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 9% | 0.088 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 145.5 | 174.7 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | F374 C388 | C370-F374 HydrophobicContact CB-CB 4.17Å; C370-C388 WeakPolarHBondContact CA-SG 3.36Å; C370-C388 HydrophobicContact CB-CB 3.86Å; C370-C388 WeakPolarHBondContact CB-SG 3.43Å; C370-C388 WeakPolarHBondContact SG-CA 3.45Å; C370-C388 WeakPolarHBondContact SG-CB 3.45Å; C370-C388 CovalentContact SG-SG 2.04Å; C370-C388 PolarHBondContact SG-SG 2.93Å |
| 371 | K | 89.7 | Confident | 89.4 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 32% | 0.317 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 151.7 | 172.2 | -65 | 178.4 | -164.3 | -176.8 | 0 | 110.2 | C358 N361 T362 M363 F374 | C358-K371 PolarHBondContact O-NZ 2.68Å; N361-K371 WeakPolarHBondContact O-CG 3.5Å; N361-K371 PolarHBondContact O-N 2.67Å; T362-K371 WeakPolarHBondContact O-CE 2.71Å; M363-K371 HydrophobicContact CB-CG 4.13Å; M363-K371 HydrophobicContact CE-CB 4.31Å; M363-K371 HydrophobicContact CE-CG 3.98Å; M363-K371 HydrophobicContact CG-CG 4.13Å; K371-F374 WeakPolarHBondContact O-CB 3.22Å; K371-F374 PolarHBondContact O-N 2.73Å |
| 372 | P | 85.7 | Confident | 89.2 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 49% | 0.494 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 150.5 | 175.7 | -28.4 | 35.1 | 0 | 0 | 0 | 113.4 | F374 | P372-F374 PolarHBondContact O-N 3.29Š|
| 373 | Y | 89.4 | Confident | 88.9 | Confident | 106 Ų | 106 | 64 Ų | 64 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 1.5 | -167.4 | -49.2 | -83.5 | 0 | 0 | 0 | 115.5 | P390 C391 I403 | Y373-P390 WeakPolarHBondContact O-CA 3.02Å; Y373-C391 VanDerWaalsContact C-SG 3.53Å; Y373-C391 PolarHBondContact O-N 3.3Å; Y373-C391 PolarHBondContact O-SG 2.94Å; Y373-C391 VanDerWaalsContact O-SG 3.37Å; Y373-I403 HydrophobicContact CD1-CG1 3.77Å; Y373-I403 HydrophobicContact CE1-CD1 4.22Å; Y373-I403 HydrophobicContact CE1-CG1 3.41Å; Y373-I403 VanDerWaalsContact CE1-CG1 3.41Å; Y373-I403 HydrophobicContact CE2-CG1 4.37Å; Y373-I403 HydrophobicContact CG-CG1 4.4Å |
| 374 | F | 92.5 | Very high | 88.8 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150 | 167.5 | -60.6 | -102.6 | 0 | 0 | 0 | 111.1 | N361 C370 K371 P372 C388 R389 P390 | N361-F374 HydrophobicContact CB-CD1 4.24Å; N361-F374 HydrophobicContact CB-CD2 4.2Å; N361-F374 HydrophobicContact CB-CE1 4.32Å; N361-F374 HydrophobicContact CB-CE2 4.28Å; N361-F374 HydrophobicContact CB-CG 4.2Å; N361-F374 HydrophobicContact CB-CZ 4.34Å; N361-F374 WeakPolarHBondContact ND2-CE1 3.03Å; C370-F374 HydrophobicContact CB-CB 4.17Å; K371-F374 WeakPolarHBondContact O-CB 3.22Å; K371-F374 PolarHBondContact O-N 2.73Å; P372-F374 PolarHBondContact O-N 3.29Å; F374-C388 HydrophobicContact CB-CB 4.02Å; F374-C388 HydrophobicContact CD1-CB 4.41Å; F374-R389 CarbonylContact C-O 2.85Å; F374-R389 WeakPolarHBondContact CA-O 3.49Å; F374-R389 WeakPolarHBondContact CB-O 3.3Å; F374-P390 HydrophobicContact CD1-CB 4.27Å; F374-P390 HydrophobicContact CE1-CB 4.14Å |
| 375 | Y | 91.5 | Very high | 88.9 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 22% | 0.216 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.7 | 173.7 | 69.9 | -90.7 | 0 | 0 | 0 | 111.1 | D377 C388 R389 P390 D405 S406 G417 | Y375-D377 PolarHBondContact O-N 2.7Å; Y375-C388 CarbonylContact O-C 3.52Å; Y375-C388 WeakPolarHBondContact O-CA 3.48Å; Y375-R389 HydrophobicContact CD1-CB 4.22Å; Y375-R389 VanDerWaalsContact CD1-O 3.27Å; Y375-R389 WeakPolarHBondContact CD1-O 3.33Å; Y375-R389 HydrophobicContact CD2-CB 4.46Å; Y375-R389 HydrophobicContact CE1-CB 3.75Å; Y375-R389 HydrophobicContact CE2-CB 4.01Å; Y375-R389 HydrophobicContact CE2-CG 4.46Å; Y375-R389 PolarHBondContact N-O 3.04Å; Y375-R389 PolarHBondContact O-N 3.19Å; Y375-P390 WeakPolarHBondContact CE1-O 3.41Å; Y375-D405 VanDerWaalsContact CB-O 3.27Å; Y375-D405 WeakPolarHBondContact CB-O 3.37Å; Y375-S406 CarbonylContact C-O 3.45Å; Y375-S406 WeakPolarHBondContact CA-O 3.22Å; Y375-G417 VanDerWaalsContact CD1-CA 3.47Å; Y375-G417 VanDerWaalsContact CG-CA 3.47Å |
| 376 | R | 90.5 | Very high | 88.9 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 33% | 0.328 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 115.6 | 176.1 | -177.6 | 176.5 | 177.8 | 175.7 | -1.2 | 110.2 | P378 V387 S406 S416 | R376-P378 VanDerWaalsContact O-CD 3.26Å; R376-P378 WeakPolarHBondContact O-CD 3.29Å; R376-V387 HydrophobicContact CG-CG2 3.98Å; R376-S406 PolarHBondContact N-O 2.74Å; R376-S416 VanDerWaalsContact O-CB 3.28Å; R376-S416 WeakPolarHBondContact O-CB 3.35Å; R376-S416 PolarHBondContact O-OG 2.72Å |
| 377 | D | 89.1 | Confident | 88.9 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | trans | -63.5 | 110.5 | 171.3 | -172.6 | -20.7 | 0 | 0 | 0 | 108.7 | Y375 N379 R380 V387 R389 | Y375-D377 PolarHBondContact O-N 2.7Å; D377-N379 PolarHBondContact O-N 2.77Å; D377-N379 WeakPolarHBondContact OD1-CB 3.15Å; D377-N379 PolarHBondContact OD1-N 2.74Å; D377-N379 VanDerWaalsContact OD1-N 3.17Å; D377-N379 PolarHBondContact OD1-ND2 2.67Å; D377-R380 HydrophobicContact CB-CB 4.23Å; D377-R380 HydrophobicContact CB-CG 4.14Å; D377-R380 PolarHBondContact O-N 3.14Å; D377-R380 IonicContact OD2-NE 3.87Å; D377-R380 PolarHBondContact OD2-NE 2.71Å; D377-V387 PolarHBondContact N-O 3.2Å; D377-R389 HydrophobicContact CB-CG 3.83Å; D377-R389 IonicContact OD2-CZ 4Å; D377-R389 IonicContact OD2-NE 3.94Å; D377-R389 PolarHBondContact OD2-NE 3.35Å; D377-R389 IonicContact OD2-NH2 3.89Å | ||
| 378 | P | 82.8 | Confident | 89 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.9 | -174.4 | 28.5 | -34.9 | 0 | 0 | 0 | 113.1 | R376 | R376-P378 VanDerWaalsContact O-CD 3.26Å; R376-P378 WeakPolarHBondContact O-CD 3.29Å |
| 379 | N | 82.6 | Confident | 89.1 | Confident | 146 Ų | 146 | 67 Ų | 67 | 78% | 0.781 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -2 | 177 | -46.8 | -81 | 0 | 0 | 0 | 113.1 | D377 | D377-N379 PolarHBondContact O-N 2.77Å; D377-N379 WeakPolarHBondContact OD1-CB 3.15Å; D377-N379 PolarHBondContact OD1-N 2.74Å; D377-N379 VanDerWaalsContact OD1-N 3.17Å; D377-N379 PolarHBondContact OD1-ND2 2.67Å |
| 380 | R | 88.4 | Confident | 89.1 | Confident | 78 Ų | 78 | 68.7 Ų | 68.7 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -110.2 | 146.6 | 179.5 | -71.2 | -176.8 | 177.6 | -101.2 | -12.8 | 111.5 | D377 D384 Y386 V387 | D377-R380 HydrophobicContact CB-CB 4.23Å; D377-R380 HydrophobicContact CB-CG 4.14Å; D377-R380 PolarHBondContact O-N 3.14Å; D377-R380 IonicContact OD2-NE 3.87Å; D377-R380 PolarHBondContact OD2-NE 2.71Å; R380-D384 HydrophobicContact CB-CB 4.21Å; R380-D384 IonicContact CZ-OD1 2.77Å; R380-D384 IonicContact CZ-OD2 2.61Å; R380-D384 IonicContact NH1-OD1 2.66Å; R380-D384 PolarHBondContact NH1-OD1 2.78Å; R380-D384 IonicContact NH1-OD2 3.5Å; R380-D384 PolarHBondContact NH1-OD2 3.28Å; R380-Y386 WeakPolarHBondContact CD-O 3.19Å; R380-V387 HydrophobicContact CB-CB 4.34Å; R380-V387 HydrophobicContact CB-CG2 4.09Å |
| 381 | N | 85.2 | Confident | 89 | Confident | 106 Ų | 106 | 69.4 Ų | 69.4 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | trans | -66.2 | 149.4 | 171.1 | -164.2 | -49.9 | 0 | 0 | 0 | 109.5 | S383 D384 V387 | N381-S383 PolarHBondContact O-N 3.06Å; N381-S383 VanDerWaalsContact O-N 3.12Å; N381-S383 PolarHBondContact OD1-N 3.15Å; N381-S383 PolarHBondContact OD1-OG 3.36Å; N381-D384 WeakPolarHBondContact O-CB 3.05Å; N381-D384 PolarHBondContact O-N 3.49Å; N381-V387 WeakPolarHBondContact O-CG2 3.18Å | ||
| 382 | I | 87.6 | Confident | 89 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 19% | 0.185 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.9 | 176.6 | -163.5 | 165.2 | 0 | 0 | 0 | 113.2 | N331 H333 E368 | N331-I382 HydrophobicContact CB-CG1 4.5Å; N331-I382 HydrophobicContact CB-CG2 4.49Å; N331-I382 WeakPolarHBondContact OD1-CG2 3.45Å; H333-I382 PolarHBondContact CD2-O 3.03Å; H333-I382 PolarHBondContact NE2-O 2.75Å; E368-I382 HydrophobicContact CB-CD1 4.09Å; E368-I382 WeakPolarHBondContact O-CD1 3.47Å |
| 383 | S | 87.9 | Confident | 89.2 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 4.7 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 115.5 | N331 N381 | N331-S383 WeakPolarHBondContact O-CA 3.43Å; N331-S383 VanDerWaalsContact O-CB 3.25Å; N331-S383 WeakPolarHBondContact O-CB 3.42Å; N381-S383 PolarHBondContact O-N 3.06Å; N381-S383 VanDerWaalsContact O-N 3.12Å; N381-S383 PolarHBondContact OD1-N 3.15Å; N381-S383 PolarHBondContact OD1-OG 3.36Å |
| 384 | D | 88.7 | Confident | 89.1 | Confident | 45 Ų | 45 | 65.4 Ų | 65.4 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | trans | -76.9 | 127.4 | 177.4 | -175.8 | -70.4 | 0 | 0 | 0 | 110.7 | R380 N381 Y386 V387 | R380-D384 HydrophobicContact CB-CB 4.21Å; R380-D384 IonicContact CZ-OD1 2.77Å; R380-D384 IonicContact CZ-OD2 2.61Å; R380-D384 IonicContact NH1-OD1 2.66Å; R380-D384 PolarHBondContact NH1-OD1 2.78Å; R380-D384 IonicContact NH1-OD2 3.5Å; R380-D384 PolarHBondContact NH1-OD2 3.28Å; N381-D384 WeakPolarHBondContact O-CB 3.05Å; N381-D384 PolarHBondContact O-N 3.49Å; D384-Y386 PolarHBondContact O-N 3.02Å; D384-Y386 WeakPolarHBondContact OD1-CA 3.46Å; D384-Y386 PolarHBondContact OD1-N 3.44Å; D384-V387 HydrophobicContact CB-CB 4.3Å; D384-V387 WeakPolarHBondContact O-CB 3.49Å; D384-V387 WeakPolarHBondContact O-CG1 3.3Å; D384-V387 PolarHBondContact O-N 2.84Å; D384-V387 PolarHBondContact OD1-N 3.26Å | ||
| 385 | P | 89.6 | Confident | 88.7 | Confident | 60 Ų | 60 | 69.5 Ų | 69.5 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -9.4 | 178.8 | -29.4 | 37.3 | 0 | 0 | 0 | 116.6 | H360 | H360-P385 WeakPolarHBondContact CB-O 3.18Š|
| 386 | Y | 90.3 | Very high | 88.5 | Confident | 162 Ų | 162 | 71.8 Ų | 71.8 | 64% | 0.635 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 22.6 | 176.5 | -52 | -79.7 | 0 | 0 | 0 | 112.6 | R380 D384 C388 | R380-Y386 WeakPolarHBondContact CD-O 3.19Å; D384-Y386 PolarHBondContact O-N 3.02Å; D384-Y386 WeakPolarHBondContact OD1-CA 3.46Å; D384-Y386 PolarHBondContact OD1-N 3.44Å; Y386-C388 PolarHBondContact O-N 3.48Å |
| 387 | V | 92.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | trans | -58.2 | -34.4 | 174.9 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | T362 R376 D377 R380 N381 D384 | T362-V387 HydrophobicContact CG2-CG1 4.33Å; R376-V387 HydrophobicContact CG-CG2 3.98Å; D377-V387 PolarHBondContact N-O 3.2Å; R380-V387 HydrophobicContact CB-CB 4.34Å; R380-V387 HydrophobicContact CB-CG2 4.09Å; N381-V387 WeakPolarHBondContact O-CG2 3.18Å; D384-V387 HydrophobicContact CB-CB 4.3Å; D384-V387 WeakPolarHBondContact O-CB 3.49Å; D384-V387 WeakPolarHBondContact O-CG1 3.3Å; D384-V387 PolarHBondContact O-N 2.84Å; D384-V387 PolarHBondContact OD1-N 3.26Å | ||
| 388 | C | 93.3 | Very high | 88.3 | Confident | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.2 | 176.1 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | N361 C370 F374 Y375 Y386 | N361-C388 HydrophobicContact CB-CB 4.2Å; C370-C388 WeakPolarHBondContact CA-SG 3.36Å; C370-C388 HydrophobicContact CB-CB 3.86Å; C370-C388 WeakPolarHBondContact CB-SG 3.43Å; C370-C388 WeakPolarHBondContact SG-CA 3.45Å; C370-C388 WeakPolarHBondContact SG-CB 3.45Å; C370-C388 CovalentContact SG-SG 2.04Å; C370-C388 PolarHBondContact SG-SG 2.93Å; F374-C388 HydrophobicContact CB-CB 4.02Å; F374-C388 HydrophobicContact CD1-CB 4.41Å; Y375-C388 CarbonylContact O-C 3.52Å; Y375-C388 WeakPolarHBondContact O-CA 3.48Å; Y386-C388 PolarHBondContact O-N 3.48Å |
| 389 | R | 91.9 | Very high | 88.4 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 143 | 179.3 | -63.3 | -64.6 | -157.6 | 158.8 | 13 | 111.3 | F374 Y375 D377 | F374-R389 CarbonylContact C-O 2.85Å; F374-R389 WeakPolarHBondContact CA-O 3.49Å; F374-R389 WeakPolarHBondContact CB-O 3.3Å; Y375-R389 HydrophobicContact CD1-CB 4.22Å; Y375-R389 VanDerWaalsContact CD1-O 3.27Å; Y375-R389 WeakPolarHBondContact CD1-O 3.33Å; Y375-R389 HydrophobicContact CD2-CB 4.46Å; Y375-R389 HydrophobicContact CE1-CB 3.75Å; Y375-R389 HydrophobicContact CE2-CB 4.01Å; Y375-R389 HydrophobicContact CE2-CG 4.46Å; Y375-R389 PolarHBondContact N-O 3.04Å; Y375-R389 PolarHBondContact O-N 3.19Å; D377-R389 HydrophobicContact CB-CG 3.83Å; D377-R389 IonicContact OD2-CZ 4Å; D377-R389 IonicContact OD2-NE 3.94Å; D377-R389 PolarHBondContact OD2-NE 3.35Å; D377-R389 IonicContact OD2-NH2 3.89Å |
| 390 | P | 90.9 | Very high | 88.1 | Confident | 79 Ų | 79 | 65 Ų | 65 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 146.5 | 177.6 | 29.7 | -35 | 0 | 0 | 0 | 112.4 | Y373 F374 Y375 | Y373-P390 WeakPolarHBondContact O-CA 3.02Å; F374-P390 HydrophobicContact CD1-CB 4.27Å; F374-P390 HydrophobicContact CE1-CB 4.14Å; Y375-P390 WeakPolarHBondContact CE1-O 3.41Å |
| 391 | C | 89.9 | Confident | 87.5 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 146.9 | 173.5 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | Y373 C404 | Y373-C391 VanDerWaalsContact C-SG 3.53Å; Y373-C391 PolarHBondContact O-N 3.3Å; Y373-C391 PolarHBondContact O-SG 2.94Å; Y373-C391 VanDerWaalsContact O-SG 3.37Å; C391-C404 HydrophobicContact CB-CB 3.74Å; C391-C404 WeakPolarHBondContact CB-SG 3.5Å; C391-C404 WeakPolarHBondContact SG-CB 3.34Å; C391-C404 PolarHBondContact SG-N 2.95Å; C391-C404 CovalentContact SG-SG 2.03Å; C391-C404 PolarHBondContact SG-SG 2.94Å |
| 392 | E | 89.6 | Confident | 87.3 | Confident | 120 Ų | 120 | 63.4 Ų | 63.4 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | trans | -113.2 | 33.5 | -179.4 | -62.5 | -165 | 149.8 | 0 | 0 | 114.3 | R429 | E392-R429 WeakPolarHBondContact O-CD 3.29Å; E392-R429 VanDerWaalsContact O-CG 3.26Å; E392-R429 WeakPolarHBondContact O-CG 3.18Å; E392-R429 IonicContact OE1-NH2 2.66Å; E392-R429 IonicContact OE2-CZ 2.98Å; E392-R429 VanDerWaalsContact OE2-CZ 3.26Å; E392-R429 IonicContact OE2-NE 3.62Å; E392-R429 PolarHBondContact OE2-NE 3.05Å; E392-R429 IonicContact OE2-NH2 3.86Å; E392-R429 PolarHBondContact OE2-NH2 3.1Å | ||
| 393 | C | 90.1 | Very high | 87.3 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | trans | -82.7 | 135 | -172.7 | -51.7 | 0 | 0 | 0 | 0 | 113.9 | F395 S398 C419 | C393-F395 PolarHBondContact O-N 3.03Å; C393-S398 WeakPolarHBondContact CB-OG 3.34Å; C393-C419 WeakPolarHBondContact CA-SG 3.46Å; C393-C419 HydrophobicContact CB-CB 3.8Å; C393-C419 WeakPolarHBondContact CB-SG 3.29Å; C393-C419 WeakPolarHBondContact SG-CB 3.49Å; C393-C419 CovalentContact SG-SG 2.03Å; C393-C419 PolarHBondContact SG-SG 3.08Å | ||
| 394 | D | 86.6 | Confident | 87.4 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 19% | 0.193 | 30% | 0.303 | C | S | . | . | trans | -74.5 | 114.9 | 172.7 | -172.6 | -40.2 | 0 | 0 | 0 | 110.1 | R396 G397 S398 R429 | D394-R396 PolarHBondContact O-N 3Å; D394-R396 WeakPolarHBondContact OD1-CB 3.38Å; D394-R396 VanDerWaalsContact OD1-CG 3.24Å; D394-R396 WeakPolarHBondContact OD1-CG 2.98Å; D394-R396 IonicContact OD1-CZ 2.97Å; D394-R396 PolarHBondContact OD1-N 2.76Å; D394-R396 IonicContact OD1-NE 3.77Å; D394-R396 PolarHBondContact OD1-NE 3.49Å; D394-R396 VanDerWaalsContact OD1-NE 3.09Å; D394-R396 IonicContact OD2-CZ 3.67Å; D394-R396 IonicContact OD2-NE 2.89Å; D394-R396 PolarHBondContact OD2-NE 3.03Å; D394-R396 VanDerWaalsContact OD2-NE 3.17Å; D394-R396 IonicContact OD2-NH2 3.59Å; D394-R396 PolarHBondContact OD2-NH2 3.31Å; D394-G397 PolarHBondContact O-N 3.49Å; D394-G397 VanDerWaalsContact O-N 3.12Å; D394-S398 VanDerWaalsContact O-CB 3.27Å; D394-S398 WeakPolarHBondContact O-CB 3.48Å; D394-S398 PolarHBondContact O-N 3.37Å; D394-S398 PolarHBondContact O-OG 3.22Å; D394-R429 VanDerWaalsContact CB-O 3.26Å; D394-R429 WeakPolarHBondContact CB-O 3.37Å; D394-R429 PolarHBondContact N-O 2.85Å | ||
| 395 | F | 84.8 | Confident | 87.4 | Confident | 138 Ų | 138 | 60.1 Ų | 60.1 | 61% | 0.605 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.3 | -178.9 | -59.1 | -66.9 | 0 | 0 | 0 | 114.5 | C393 Q401 | C393-F395 PolarHBondContact O-N 3.03Å; F395-Q401 WeakPolarHBondContact CD1-O 3.48Å; F395-Q401 VanDerWaalsContact CE1-O 3.26Å; F395-Q401 WeakPolarHBondContact CE1-O 3.39Å |
| 396 | R | 86.6 | Confident | 87.2 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -35.7 | -179.5 | -51.8 | 175.7 | -69.1 | 156.1 | 0.2 | 111.7 | D394 K422 Q442 | D394-R396 PolarHBondContact O-N 3Å; D394-R396 WeakPolarHBondContact OD1-CB 3.38Å; D394-R396 VanDerWaalsContact OD1-CG 3.24Å; D394-R396 WeakPolarHBondContact OD1-CG 2.98Å; D394-R396 IonicContact OD1-CZ 2.97Å; D394-R396 PolarHBondContact OD1-N 2.76Å; D394-R396 IonicContact OD1-NE 3.77Å; D394-R396 PolarHBondContact OD1-NE 3.49Å; D394-R396 VanDerWaalsContact OD1-NE 3.09Å; D394-R396 IonicContact OD2-CZ 3.67Å; D394-R396 IonicContact OD2-NE 2.89Å; D394-R396 PolarHBondContact OD2-NE 3.03Å; D394-R396 VanDerWaalsContact OD2-NE 3.17Å; D394-R396 IonicContact OD2-NH2 3.59Å; D394-R396 PolarHBondContact OD2-NH2 3.31Å; R396-K422 WeakPolarHBondContact O-CD 3.46Å; R396-K422 WeakPolarHBondContact O-CE 3.19Å; R396-K422 PolarHBondContact O-NZ 3Å; R396-Q442 HydrophobicContact CB-CB 4.02Å; R396-Q442 HydrophobicContact CG-CB 3.97Å; R396-Q442 HydrophobicContact CG-CG 4.41Å |
| 397 | G | 87.4 | Confident | 87 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -7.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D394 C421 K422 C430 | D394-G397 PolarHBondContact O-N 3.49Å; D394-G397 VanDerWaalsContact O-N 3.12Å; G397-C421 CarbonylContact O-C 3.48Å; G397-C421 WeakPolarHBondContact O-CA 3.14Å; G397-K422 WeakPolarHBondContact O-CB 3.38Å; G397-K422 WeakPolarHBondContact O-CG 3.03Å; G397-K422 PolarHBondContact O-N 3.02Å; G397-C430 WeakPolarHBondContact CA-O 3.42Å; G397-C430 WeakPolarHBondContact O-CB 3.49Å |
| 398 | S | 88.4 | Confident | 86.6 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 150.5 | -179.7 | -54.4 | 0 | 0 | 0 | 0 | 113.1 | C393 D394 H420 C430 | C393-S398 WeakPolarHBondContact CB-OG 3.34Å; D394-S398 VanDerWaalsContact O-CB 3.27Å; D394-S398 WeakPolarHBondContact O-CB 3.48Å; D394-S398 PolarHBondContact O-N 3.37Å; D394-S398 PolarHBondContact O-OG 3.22Å; S398-H420 CarbonylContact C-O 3.56Å; S398-H420 WeakPolarHBondContact CA-O 3.43Å; S398-C430 WeakPolarHBondContact OG-CB 3.36Å |
| 399 | L | 83.8 | Confident | 85.9 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 42% | 0.419 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -78.9 | 173.2 | 166.5 | -59.9 | 173.7 | 0 | 0 | 0 | 110.2 | Q401 G402 H420 K422 | L399-Q401 PolarHBondContact O-N 2.82Å; L399-G402 PolarHBondContact O-N 3.47Å; L399-H420 HydrophobicContact CB-CB 4.19Å; L399-H420 HydrophobicContact CD1-CB 4.31Å; L399-H420 PolarHBondContact N-O 2.04Å; L399-K422 HydrophobicContact CD2-CG 4.03Å |
| 400 | N | 77.6 | Confident | 85.2 | Confident | 109 Ų | 109 | 62.4 Ų | 62.4 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | 50.1 | 31.9 | 171.4 | -58.8 | -16.5 | 0 | 0 | 0 | 115.4 | G402 I403 | N400-G402 PolarHBondContact O-N 2.96Å; N400-G402 VanDerWaalsContact O-N 3.15Å; N400-I403 HydrophobicContact CB-CB 4.42Å; N400-I403 WeakPolarHBondContact O-CG1 3.15Å; N400-I403 PolarHBondContact O-N 2.8Å |
| 401 | Q | 76 | Confident | 84.4 | Confident | 147 Ų | 147 | 67.6 Ų | 67.6 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | 53.6 | 31.3 | -178 | -55.1 | -177.4 | 7.7 | 0 | 0 | 113.9 | F395 L399 | F395-Q401 WeakPolarHBondContact CD1-O 3.48Å; F395-Q401 VanDerWaalsContact CE1-O 3.26Å; F395-Q401 WeakPolarHBondContact CE1-O 3.39Å; L399-Q401 PolarHBondContact O-N 2.82Å |
| 402 | G | 81 | Confident | 83.7 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | 83.6 | 15.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L399 N400 C404 | L399-G402 PolarHBondContact O-N 3.47Å; N400-G402 PolarHBondContact O-N 2.96Å; N400-G402 VanDerWaalsContact O-N 3.15Å; G402-C404 PolarHBondContact O-N 2.99Å |
| 403 | I | 87.5 | Confident | 83 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | trans | -65.4 | 128.6 | 164 | -60.8 | 170.5 | 0 | 0 | 0 | 108.6 | Y373 N400 | Y373-I403 HydrophobicContact CD1-CG1 3.77Å; Y373-I403 HydrophobicContact CE1-CD1 4.22Å; Y373-I403 HydrophobicContact CE1-CG1 3.41Å; Y373-I403 VanDerWaalsContact CE1-CG1 3.41Å; Y373-I403 HydrophobicContact CE2-CG1 4.37Å; Y373-I403 HydrophobicContact CG-CG1 4.4Å; N400-I403 HydrophobicContact CB-CB 4.42Å; N400-I403 WeakPolarHBondContact O-CG1 3.15Å; N400-I403 PolarHBondContact O-N 2.8Å | ||
| 404 | C | 89.7 | Confident | 82.7 | Confident | 6 Ų | 6 | 76.3 Ų | 76.3 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -105.4 | 165.1 | 176.2 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | C391 G402 S406 K418 | C391-C404 HydrophobicContact CB-CB 3.74Å; C391-C404 WeakPolarHBondContact CB-SG 3.5Å; C391-C404 WeakPolarHBondContact SG-CB 3.34Å; C391-C404 PolarHBondContact SG-N 2.95Å; C391-C404 CovalentContact SG-SG 2.03Å; C391-C404 PolarHBondContact SG-SG 2.94Å; G402-C404 PolarHBondContact O-N 2.99Å; C404-S406 PolarHBondContact O-N 2.86Å; C404-K418 WeakPolarHBondContact CA-O 3.17Å; C404-K418 VanDerWaalsContact CB-O 3.3Å; C404-K418 WeakPolarHBondContact CB-O 3.08Å |
| 405 | D | 88.9 | Confident | 82.6 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 4% | 0.043 | 39% | 0.386 | C | S | . | . | trans | -55.9 | 121.9 | 173.8 | -74.2 | -20.2 | 0 | 0 | 0 | 110.8 | Y375 E407 L414 I415 G417 K418 H420 | Y375-D405 VanDerWaalsContact CB-O 3.27Å; Y375-D405 WeakPolarHBondContact CB-O 3.37Å; D405-E407 PolarHBondContact O-N 3.03Å; D405-L414 HydrophobicContact CB-CB 4.37Å; D405-L414 VanDerWaalsContact OD1-CD2 3.28Å; D405-L414 WeakPolarHBondContact OD1-CD2 3.33Å; D405-L414 WeakPolarHBondContact OD2-CA 3.48Å; D405-I415 VanDerWaalsContact CB-O 3.25Å; D405-I415 WeakPolarHBondContact CB-O 3.49Å; D405-I415 PolarHBondContact OD2-N 3.06Å; D405-G417 PolarHBondContact O-N 3.06Å; D405-K418 HydrophobicContact CB-CB 4.38Å; D405-K418 PolarHBondContact N-O 2.72Å; D405-K418 VanDerWaalsContact N-O 3.11Å; D405-H420 IonicContact OD1-CE1 2.66Å; D405-H420 PolarHBondContact OD1-CE1 3.12Å; D405-H420 IonicContact OD1-NE2 3.19Å; D405-H420 PolarHBondContact OD1-NE2 3.46Å | ||
| 406 | S | 85.7 | Confident | 82.7 | Confident | 55 Ų | 55 | 73 Ų | 73 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -75.6 | -22.4 | -172.2 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | Y375 R376 C404 | Y375-S406 CarbonylContact C-O 3.45Å; Y375-S406 WeakPolarHBondContact CA-O 3.22Å; R376-S406 PolarHBondContact N-O 2.74Å; C404-S406 PolarHBondContact O-N 2.86Å |
| 407 | E | 85 | Confident | 82.7 | Confident | 76 Ų | 76 | 69 Ų | 69 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -150.3 | 166.5 | 179.1 | 66 | -175.5 | 167.9 | 0 | 0 | 111.2 | D405 L414 S416 | D405-E407 PolarHBondContact O-N 3.03Å; E407-L414 WeakPolarHBondContact O-CB 3.4Å; E407-S416 WeakPolarHBondContact CA-OG 3.45Å; E407-S416 PolarHBondContact O-N 3.27Å |
| 408 | T | 83.9 | Confident | 82.8 | Confident | 65 Ų | 65 | 73 Ų | 73 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | trans | -92.6 | 105.7 | 172.9 | -59.6 | 0 | 0 | 0 | 0 | 110 | L410 L414 S416 | T408-L410 HydrophobicContact CG2-CD2 4.37Å; T408-L410 HydrophobicContact CG2-CG 4.47Å; T408-L414 WeakPolarHBondContact CA-O 3.28Å; T408-S416 PolarHBondContact N-OG 3.1Å; T408-S416 VanDerWaalsContact OG1-CB 3.31Å; T408-S416 WeakPolarHBondContact OG1-CB 3.33Å; T408-S416 PolarHBondContact OG1-N 3.32Å; T408-S416 PolarHBondContact OG1-OG 3.32Å | ||
| 409 | D | 79.1 | Confident | 82.8 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 20% | 0.198 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -123.8 | 104.6 | 170.4 | 178.9 | -18.3 | 0 | 0 | 0 | 108.1 | E411 R412 N413 L414 | D409-E411 VanDerWaalsContact C-N 3.3Å; D409-E411 PolarHBondContact O-N 3.44Å; D409-E411 WeakPolarHBondContact OD1-CB 3.4Å; D409-E411 PolarHBondContact OD1-N 2.04Å; D409-R412 HydrophobicContact CB-CB 4.18Å; D409-R412 CarbonylContact O-C 3.25Å; D409-R412 PolarHBondContact O-N 3.39Å; D409-R412 PolarHBondContact OD1-N 3.41Å; D409-R412 WeakPolarHBondContact OD2-CD 3.47Å; D409-R412 WeakPolarHBondContact OD2-CG 3.21Å; D409-R412 IonicContact OD2-CZ 3.19Å; D409-R412 IonicContact OD2-NE 3.08Å; D409-R412 PolarHBondContact OD2-NE 2.85Å; D409-R412 IonicContact OD2-NH1 2.69Å; D409-N413 PolarHBondContact O-N 3.37Å; D409-N413 VanDerWaalsContact O-N 3.07Å; D409-L414 CarbonylContact C-O 3.6Å; D409-L414 HydrophobicContact CB-CB 4.28Å; D409-L414 HydrophobicContact CB-CD1 4.38Å; D409-L414 PolarHBondContact N-O 3.03Å; D409-L414 PolarHBondContact O-N 3.31Å |
| 410 | L | 77.7 | Confident | 83.1 | Confident | 140 Ų | 140 | 72.5 Ų | 72.5 | 73% | 0.733 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.1 | -177.3 | -65.3 | 174.4 | 0 | 0 | 0 | 112.9 | T408 | T408-L410 HydrophobicContact CG2-CD2 4.37Å; T408-L410 HydrophobicContact CG2-CG 4.47Å |
| 411 | E | 73.1 | Confident | 83.7 | Confident | 188 Ų | 188 | 69.3 Ų | 69.3 | 88% | 0.879 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -35 | 176.2 | -61.2 | -165.7 | 158.9 | 0 | 0 | 110.8 | D409 | D409-E411 VanDerWaalsContact C-N 3.3Å; D409-E411 PolarHBondContact O-N 3.44Å; D409-E411 WeakPolarHBondContact OD1-CB 3.4Å; D409-E411 PolarHBondContact OD1-N 2.04Å |
| 412 | R | 74.3 | Confident | 84.3 | Confident | 173 Ų | 173 | 63.1 Ų | 63.1 | 65% | 0.653 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 1.5 | 175.4 | -64.1 | -177.3 | -175.7 | 160.3 | -1.1 | 114.6 | D409 L414 | D409-R412 HydrophobicContact CB-CB 4.18Å; D409-R412 CarbonylContact O-C 3.25Å; D409-R412 PolarHBondContact O-N 3.39Å; D409-R412 PolarHBondContact OD1-N 3.41Å; D409-R412 WeakPolarHBondContact OD2-CD 3.47Å; D409-R412 WeakPolarHBondContact OD2-CG 3.21Å; D409-R412 IonicContact OD2-CZ 3.19Å; D409-R412 IonicContact OD2-NE 3.08Å; D409-R412 PolarHBondContact OD2-NE 2.85Å; D409-R412 IonicContact OD2-NH1 2.69Å; R412-L414 HydrophobicContact CB-CD1 3.95Å; R412-L414 HydrophobicContact CB-CG 3.86Å; R412-L414 PolarHBondContact O-N 3.08Å |
| 413 | N | 76.2 | Confident | 84.7 | Confident | 126 Ų | 126 | 66.8 Ų | 66.8 | 67% | 0.674 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 22.8 | -174.3 | -92.5 | -52.8 | 0 | 0 | 0 | 114.9 | D409 K418 | D409-N413 PolarHBondContact O-N 3.37Å; D409-N413 VanDerWaalsContact O-N 3.07Å; N413-K418 PolarHBondContact O-NZ 3.5Å |
| 414 | L | 82.8 | Confident | 84.7 | Confident | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -88.8 | 136.1 | 176.5 | -55.4 | 175.7 | 0 | 0 | 0 | 109.9 | D405 E407 T408 D409 R412 | D405-L414 HydrophobicContact CB-CB 4.37Å; D405-L414 VanDerWaalsContact OD1-CD2 3.28Å; D405-L414 WeakPolarHBondContact OD1-CD2 3.33Å; D405-L414 WeakPolarHBondContact OD2-CA 3.48Å; E407-L414 WeakPolarHBondContact O-CB 3.4Å; T408-L414 WeakPolarHBondContact CA-O 3.28Å; D409-L414 CarbonylContact C-O 3.6Å; D409-L414 HydrophobicContact CB-CB 4.28Å; D409-L414 HydrophobicContact CB-CD1 4.38Å; D409-L414 PolarHBondContact N-O 3.03Å; D409-L414 PolarHBondContact O-N 3.31Å; R412-L414 HydrophobicContact CB-CD1 3.95Å; R412-L414 HydrophobicContact CB-CG 3.86Å; R412-L414 PolarHBondContact O-N 3.08Å |
| 415 | I | 85.5 | Confident | 84.7 | Confident | 83 Ų | 83 | 64.8 Ų | 64.8 | 43% | 0.426 | 34% | 0.336 | S | S | . | . | trans | -133.6 | 116.6 | 177.9 | -57.3 | 178.4 | 0 | 0 | 0 | 109 | D405 G417 K418 | D405-I415 VanDerWaalsContact CB-O 3.25Å; D405-I415 WeakPolarHBondContact CB-O 3.49Å; D405-I415 PolarHBondContact OD2-N 3.06Å; I415-G417 PolarHBondContact O-N 3.32Å; I415-K418 HydrophobicContact CB-CB 4.1Å; I415-K418 HydrophobicContact CB-CD 3.9Å; I415-K418 HydrophobicContact CD1-CD 4.16Å; I415-K418 HydrophobicContact CG1-CD 4.17Å; I415-K418 WeakPolarHBondContact O-CB 3.45Å; I415-K418 PolarHBondContact O-N 2.98Å | ||
| 416 | S | 86.5 | Confident | 84.7 | Confident | 20 Ų | 20 | 68.8 Ų | 68.8 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -37 | 112.6 | -180 | -81.8 | 0 | 0 | 0 | 0 | 113.3 | R376 E407 T408 | R376-S416 VanDerWaalsContact O-CB 3.28Å; R376-S416 WeakPolarHBondContact O-CB 3.35Å; R376-S416 PolarHBondContact O-OG 2.72Å; E407-S416 WeakPolarHBondContact CA-OG 3.45Å; E407-S416 PolarHBondContact O-N 3.27Å; T408-S416 PolarHBondContact N-OG 3.1Å; T408-S416 VanDerWaalsContact OG1-CB 3.31Å; T408-S416 WeakPolarHBondContact OG1-CB 3.33Å; T408-S416 PolarHBondContact OG1-N 3.32Å; T408-S416 PolarHBondContact OG1-OG 3.32Å |
| 417 | G | 86.9 | Confident | 84.6 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -5.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y375 D405 I415 C419 | Y375-G417 VanDerWaalsContact CD1-CA 3.47Å; Y375-G417 VanDerWaalsContact CG-CA 3.47Å; D405-G417 PolarHBondContact O-N 3.06Å; I415-G417 PolarHBondContact O-N 3.32Å; G417-C419 PolarHBondContact O-N 3.47Å |
| 418 | K | 88.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | trans | -65.9 | 129.2 | -179.6 | 174.8 | 177.5 | 159.5 | -157.5 | 0 | 112.2 | C404 D405 N413 I415 | C404-K418 WeakPolarHBondContact CA-O 3.17Å; C404-K418 VanDerWaalsContact CB-O 3.3Å; C404-K418 WeakPolarHBondContact CB-O 3.08Å; D405-K418 HydrophobicContact CB-CB 4.38Å; D405-K418 PolarHBondContact N-O 2.72Å; D405-K418 VanDerWaalsContact N-O 3.11Å; N413-K418 PolarHBondContact O-NZ 3.5Å; I415-K418 HydrophobicContact CB-CB 4.1Å; I415-K418 HydrophobicContact CB-CD 3.9Å; I415-K418 HydrophobicContact CD1-CD 4.16Å; I415-K418 HydrophobicContact CG1-CD 4.17Å; I415-K418 WeakPolarHBondContact O-CB 3.45Å; I415-K418 PolarHBondContact O-N 2.98Å | ||
| 419 | C | 89.8 | Confident | 84.6 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 10% | 0.095 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -87.9 | 143.6 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | C393 G417 E428 | C393-C419 WeakPolarHBondContact CA-SG 3.46Å; C393-C419 HydrophobicContact CB-CB 3.8Å; C393-C419 WeakPolarHBondContact CB-SG 3.29Å; C393-C419 WeakPolarHBondContact SG-CB 3.49Å; C393-C419 CovalentContact SG-SG 2.03Å; C393-C419 PolarHBondContact SG-SG 3.08Å; G417-C419 PolarHBondContact O-N 3.47Å; C419-E428 WeakPolarHBondContact CB-O 3.28Å; C419-E428 PolarHBondContact SG-O 3.32Å |
| 420 | H | 89.5 | Confident | 85.2 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | trans | -92.3 | 106.8 | 174.8 | -51.5 | -66.8 | 0 | 0 | 0 | 110.5 | S398 L399 D405 | S398-H420 CarbonylContact C-O 3.56Å; S398-H420 WeakPolarHBondContact CA-O 3.43Å; L399-H420 HydrophobicContact CB-CB 4.19Å; L399-H420 HydrophobicContact CD1-CB 4.31Å; L399-H420 PolarHBondContact N-O 2.04Å; D405-H420 IonicContact OD1-CE1 2.66Å; D405-H420 PolarHBondContact OD1-CE1 3.12Å; D405-H420 IonicContact OD1-NE2 3.19Å; D405-H420 PolarHBondContact OD1-NE2 3.46Å | ||
| 421 | C | 89.9 | Confident | 85.7 | Confident | 42 Ų | 42 | 70 Ų | 70 | 28% | 0.284 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 148.1 | -177 | -50.2 | 0 | 0 | 0 | 0 | 113.6 | G397 V425 G427 C430 | G397-C421 CarbonylContact O-C 3.48Å; G397-C421 WeakPolarHBondContact O-CA 3.14Å; C421-V425 HydrophobicContact CB-CB 4.29Å; C421-G427 PolarHBondContact SG-O 3.15Å; C421-C430 WeakPolarHBondContact CA-SG 3.13Å; C421-C430 HydrophobicContact CB-CB 3.66Å; C421-C430 WeakPolarHBondContact CB-SG 3.47Å; C421-C430 PolarHBondContact N-SG 2.91Å; C421-C430 VanDerWaalsContact N-SG 3.38Å; C421-C430 WeakPolarHBondContact SG-CA 3.46Å; C421-C430 WeakPolarHBondContact SG-CB 3.21Å; C421-C430 CovalentContact SG-SG 2.04Å; C421-C430 PolarHBondContact SG-SG 2.88Å |
| 422 | K | 88.9 | Confident | 86.3 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | trans | -59.3 | 158.2 | 168 | -71.1 | 177.5 | 174.6 | 179.4 | 0 | 111.5 | R396 G397 L399 N424 V425 D441 Q442 N444 P445 | R396-K422 WeakPolarHBondContact O-CD 3.46Å; R396-K422 WeakPolarHBondContact O-CE 3.19Å; R396-K422 PolarHBondContact O-NZ 3Å; G397-K422 WeakPolarHBondContact O-CB 3.38Å; G397-K422 WeakPolarHBondContact O-CG 3.03Å; G397-K422 PolarHBondContact O-N 3.02Å; L399-K422 HydrophobicContact CD2-CG 4.03Å; K422-N424 VanDerWaalsContact C-N 3.32Å; K422-N424 PolarHBondContact O-N 2.77Å; K422-V425 HydrophobicContact CB-CB 4.43Å; K422-V425 HydrophobicContact CB-CG2 3.86Å; K422-V425 PolarHBondContact O-N 3.01Å; K422-D441 PolarHBondContact NZ-O 2.92Å; K422-Q442 PolarHBondContact NZ-O 3.37Å; K422-N444 WeakPolarHBondContact CE-O 3.32Å; K422-N444 PolarHBondContact NZ-O 3.16Å; K422-P445 WeakPolarHBondContact CD-O 3.12Å; K422-P445 WeakPolarHBondContact CG-O 3.38Å | ||
| 423 | T | 88.2 | Confident | 86.9 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | -45.3 | -167.2 | -41 | 0 | 0 | 0 | 0 | 115.1 | K434 D446 | T423-K434 WeakPolarHBondContact O-CE 3.43Å; T423-K434 PolarHBondContact O-NZ 3.28Å; T423-D446 WeakPolarHBondContact CB-OD1 3.25Å; T423-D446 PolarHBondContact OG1-OD1 3.31Å |
| 424 | N | 89.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 14.6 | -173.4 | -56.5 | -24 | 0 | 0 | 0 | 113.3 | K422 K434 F437 D446 C448 | K422-N424 VanDerWaalsContact C-N 3.32Å; K422-N424 PolarHBondContact O-N 2.77Å; N424-K434 PolarHBondContact O-N 3.36Å; N424-F437 HydrophobicContact CB-CB 4.41Å; N424-F437 HydrophobicContact CB-CD1 3.63Å; N424-F437 HydrophobicContact CB-CD2 4.35Å; N424-F437 HydrophobicContact CB-CE1 3.92Å; N424-F437 HydrophobicContact CB-CG 3.88Å; N424-F437 HydrophobicContact CB-CZ 4.39Å; N424-F437 VanDerWaalsContact CG-CD1 3.45Å; N424-F437 WeakPolarHBondContact ND2-CD1 3.35Å; N424-F437 WeakPolarHBondContact ND2-CE1 3.32Å; N424-F437 WeakPolarHBondContact OD1-CE1 3.39Å; N424-F437 WeakPolarHBondContact OD1-CZ 3.32Å; N424-D446 WeakPolarHBondContact CA-O 2.86Å; N424-D446 VanDerWaalsContact CB-O 3.31Å; N424-D446 WeakPolarHBondContact CB-O 3.16Å; N424-D446 PolarHBondContact N-O 2.75Å; N424-D446 WeakPolarHBondContact ND2-CB 3.03Å; N424-C448 HydrophobicContact CB-CB 3.86Å; N424-C448 PolarHBondContact ND2-O 3.22Å |
| 425 | V | 89.6 | Confident | 86.9 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 148.9 | -175.1 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | C421 K422 C430 H432 K434 L440 | C421-V425 HydrophobicContact CB-CB 4.29Å; K422-V425 HydrophobicContact CB-CB 4.43Å; K422-V425 HydrophobicContact CB-CG2 3.86Å; K422-V425 PolarHBondContact O-N 3.01Å; V425-C430 HydrophobicContact CG1-CB 4.06Å; V425-C430 VanDerWaalsContact CG1-O 3.32Å; V425-C430 WeakPolarHBondContact CG1-O 3.39Å; V425-H432 CarbonylContact C-O 3.48Å; V425-H432 WeakPolarHBondContact CA-O 3.2Å; V425-H432 VanDerWaalsContact CG1-O 3.31Å; V425-H432 WeakPolarHBondContact CG1-O 3.23Å; V425-K434 WeakPolarHBondContact O-CE 3.19Å; V425-L440 HydrophobicContact CB-CD1 4.47Å; V425-L440 HydrophobicContact CG1-CD1 4.04Å; V425-L440 HydrophobicContact CG2-CD1 3.53Å |
| 426 | I | 88.5 | Confident | 86.5 | Confident | 91 Ų | 91 | 55 Ų | 55 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 170.1 | -179.6 | -162.8 | 164.4 | 0 | 0 | 0 | 110.2 | D431 H432 K434 | I426-D431 PolarHBondContact O-N 2.95Å; I426-H432 HydrophobicContact CG2-CB 4.18Å; I426-H432 PolarHBondContact N-O 3.32Å; I426-H432 PolarHBondContact O-N 2.99Å; I426-K434 HydrophobicContact CB-CG 3.95Å; I426-K434 HydrophobicContact CG2-CG 4.26Å |
| 427 | G | 82.6 | Confident | 86.5 | Confident | 27 Ų | 27 | 56 Ų | 56 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 104.6 | 147.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | C421 R429 C430 | C421-G427 PolarHBondContact SG-O 3.15Å; G427-R429 PolarHBondContact O-N 3.31Å; G427-C430 PolarHBondContact O-N 3.05Å |
| 428 | E | 82.7 | Confident | 86.5 | Confident | 184 Ų | 184 | 59.3 Ų | 59.3 | 86% | 0.86 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26 | -176.6 | -61.7 | -159.1 | 143.8 | 0 | 0 | 112.9 | C419 | C419-E428 WeakPolarHBondContact CB-O 3.28Å; C419-E428 PolarHBondContact SG-O 3.32Å |
| 429 | R | 87.5 | Confident | 86.4 | Confident | 130 Ų | 130 | 58 Ų | 58 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 3 | 172.6 | -58.7 | -172.7 | 176.4 | 168.2 | -1.7 | 113.4 | E392 D394 G427 | E392-R429 WeakPolarHBondContact O-CD 3.29Å; E392-R429 VanDerWaalsContact O-CG 3.26Å; E392-R429 WeakPolarHBondContact O-CG 3.18Å; E392-R429 IonicContact OE1-NH2 2.66Å; E392-R429 IonicContact OE2-CZ 2.98Å; E392-R429 VanDerWaalsContact OE2-CZ 3.26Å; E392-R429 IonicContact OE2-NE 3.62Å; E392-R429 PolarHBondContact OE2-NE 3.05Å; E392-R429 IonicContact OE2-NH2 3.86Å; E392-R429 PolarHBondContact OE2-NH2 3.1Å; D394-R429 VanDerWaalsContact CB-O 3.26Å; D394-R429 WeakPolarHBondContact CB-O 3.37Å; D394-R429 PolarHBondContact N-O 2.85Å; G427-R429 PolarHBondContact O-N 3.31Å |
| 430 | C | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 59.1 | 52 | -175.8 | -48.9 | 0 | 0 | 0 | 0 | 114.2 | G397 S398 C421 V425 G427 | G397-C430 WeakPolarHBondContact CA-O 3.42Å; G397-C430 WeakPolarHBondContact O-CB 3.49Å; S398-C430 WeakPolarHBondContact OG-CB 3.36Å; C421-C430 WeakPolarHBondContact CA-SG 3.13Å; C421-C430 HydrophobicContact CB-CB 3.66Å; C421-C430 WeakPolarHBondContact CB-SG 3.47Å; C421-C430 PolarHBondContact N-SG 2.91Å; C421-C430 VanDerWaalsContact N-SG 3.38Å; C421-C430 WeakPolarHBondContact SG-CA 3.46Å; C421-C430 WeakPolarHBondContact SG-CB 3.21Å; C421-C430 CovalentContact SG-SG 2.04Å; C421-C430 PolarHBondContact SG-SG 2.88Å; V425-C430 HydrophobicContact CG1-CB 4.06Å; V425-C430 VanDerWaalsContact CG1-O 3.32Å; V425-C430 WeakPolarHBondContact CG1-O 3.39Å; G427-C430 PolarHBondContact O-N 3.05Å |
| 431 | D | 88.9 | Confident | 86 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 31% | 0.31 | 31% | 0.305 | S | S | . | . | trans | -114.4 | 0.5 | -169.3 | 60.6 | -35.3 | 0 | 0 | 0 | 115.1 | I426 L440 | I426-D431 PolarHBondContact O-N 2.95Å; D431-L440 WeakPolarHBondContact O-CD2 3.42Å | ||
| 432 | H | 86.9 | Confident | 85.7 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 152.4 | -176.4 | -62.3 | -16.4 | 0 | 0 | 0 | 113.7 | V425 I426 | V425-H432 CarbonylContact C-O 3.48Å; V425-H432 WeakPolarHBondContact CA-O 3.2Å; V425-H432 VanDerWaalsContact CG1-O 3.31Å; V425-H432 WeakPolarHBondContact CG1-O 3.23Å; I426-H432 HydrophobicContact CG2-CB 4.18Å; I426-H432 PolarHBondContact N-O 3.32Å; I426-H432 PolarHBondContact O-N 2.99Å |
| 433 | C | 86.3 | Confident | 85.4 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 143.6 | 171 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | F437 C448 K466 | C433-F437 HydrophobicContact CB-CB 4.3Å; C433-F437 WeakPolarHBondContact CB-O 3.5Å; C433-C448 WeakPolarHBondContact CA-SG 3.42Å; C433-C448 HydrophobicContact CB-CB 3.77Å; C433-C448 WeakPolarHBondContact CB-SG 3.47Å; C433-C448 WeakPolarHBondContact SG-CB 2.87Å; C433-C448 CovalentContact SG-SG 2.04Å; C433-C448 PolarHBondContact SG-SG 3.26Å; C433-K466 PolarHBondContact O-NZ 2.67Å |
| 434 | K | 83.8 | Confident | 85 | Confident | 80 Ų | 80 | 67 Ų | 67 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 155.2 | 168.1 | -71.8 | 179.7 | -175.7 | 173.4 | 0 | 110.8 | T423 N424 V425 I426 F437 | T423-K434 WeakPolarHBondContact O-CE 3.43Å; T423-K434 PolarHBondContact O-NZ 3.28Å; N424-K434 PolarHBondContact O-N 3.36Å; V425-K434 WeakPolarHBondContact O-CE 3.19Å; I426-K434 HydrophobicContact CB-CG 3.95Å; I426-K434 HydrophobicContact CG2-CG 4.26Å; K434-F437 HydrophobicContact CB-CD2 3.85Å; K434-F437 HydrophobicContact CB-CE2 4.4Å; K434-F437 PolarHBondContact O-N 2.85Å |
| 435 | N | 75.1 | Confident | 84.7 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 143.6 | 172.7 | -64.7 | 8.2 | 0 | 0 | 0 | 109.4 | F437 K466 | N435-F437 VanDerWaalsContact C-N 3.29Å; N435-F437 WeakPolarHBondContact O-CD2 3.42Å; N435-K466 WeakPolarHBondContact OD1-CE 2.99Å; N435-K466 PolarHBondContact OD1-NZ 3.2Å |
| 436 | G | 77 | Confident | 84.5 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 7% | 0.072 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 7.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C451 E462 | G436-C451 VanDerWaalsContact CA-SG 3.51Å; G436-C451 PolarHBondContact O-N 2.99Å; G436-C451 PolarHBondContact O-SG 2.96Å; G436-E462 PolarHBondContact N-O 3.32Å; G436-E462 VanDerWaalsContact N-O 3.08Å |
| 437 | F | 86.6 | Confident | 84.5 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 154 | 174.4 | -58.1 | -96.7 | 0 | 0 | 0 | 112.8 | N424 C433 K434 N435 C448 I449 Q450 | N424-F437 HydrophobicContact CB-CB 4.41Å; N424-F437 HydrophobicContact CB-CD1 3.63Å; N424-F437 HydrophobicContact CB-CD2 4.35Å; N424-F437 HydrophobicContact CB-CE1 3.92Å; N424-F437 HydrophobicContact CB-CG 3.88Å; N424-F437 HydrophobicContact CB-CZ 4.39Å; N424-F437 VanDerWaalsContact CG-CD1 3.45Å; N424-F437 WeakPolarHBondContact ND2-CD1 3.35Å; N424-F437 WeakPolarHBondContact ND2-CE1 3.32Å; N424-F437 WeakPolarHBondContact OD1-CE1 3.39Å; N424-F437 WeakPolarHBondContact OD1-CZ 3.32Å; C433-F437 HydrophobicContact CB-CB 4.3Å; C433-F437 WeakPolarHBondContact CB-O 3.5Å; K434-F437 HydrophobicContact CB-CD2 3.85Å; K434-F437 HydrophobicContact CB-CE2 4.4Å; K434-F437 PolarHBondContact O-N 2.85Å; N435-F437 VanDerWaalsContact C-N 3.29Å; N435-F437 WeakPolarHBondContact O-CD2 3.42Å; F437-C448 HydrophobicContact CB-CB 3.82Å; F437-I449 CarbonylContact C-O 3.54Å; F437-I449 WeakPolarHBondContact CA-O 2.97Å; F437-I449 WeakPolarHBondContact CB-O 3.04Å; F437-Q450 HydrophobicContact CD1-CB 3.93Å; F437-Q450 HydrophobicContact CD1-CG 4.31Å; F437-Q450 HydrophobicContact CE1-CB 3.76Å; F437-Q450 HydrophobicContact CE1-CG 3.88Å; F437-Q450 HydrophobicContact CZ-CG 4.28Å |
| 438 | W | 86.8 | Confident | 84.8 | Confident | 91 Ų | 91 | 68 Ų | 68 | 35% | 0.345 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 166.5 | -179.4 | 70.1 | -68.2 | 0 | 0 | 0 | 111.6 | C448 I449 K466 | W438-C448 WeakPolarHBondContact O-CB 3.41Å; W438-I449 PolarHBondContact N-O 2.98Å; W438-I449 PolarHBondContact O-N 2.89Å; W438-K466 WeakPolarHBondContact CA-O 3.09Å; W438-K466 VanDerWaalsContact CB-O 3.29Å; W438-K466 WeakPolarHBondContact CB-O 3.26Å |
| 439 | S | 87.5 | Confident | 84.9 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | 59.5 | 85.8 | 176.3 | -171.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 440 | L | 87.2 | Confident | 84.7 | Confident | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | trans | -76.7 | 122.5 | 175.6 | 179.3 | 63.7 | 0 | 0 | 0 | 112.9 | V425 D431 G447 | V425-L440 HydrophobicContact CB-CD1 4.47Å; V425-L440 HydrophobicContact CG1-CD1 4.04Å; V425-L440 HydrophobicContact CG2-CD1 3.53Å; D431-L440 WeakPolarHBondContact O-CD2 3.42Å; L440-G447 CarbonylContact C-O 3.45Å; L440-G447 WeakPolarHBondContact CA-O 2.73Å | ||
| 441 | D | 83.7 | Confident | 84 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | trans | -133.2 | 144.6 | -176.4 | -166.2 | -15.6 | 0 | 0 | 0 | 112.6 | K422 D443 N444 G447 | K422-D441 PolarHBondContact NZ-O 2.92Å; D441-D443 PolarHBondContact OD1-N 2.76Å; D441-N444 HydrophobicContact CB-CB 3.9Å; D441-G447 PolarHBondContact N-O 2.97Å | ||
| 442 | Q | 81.9 | Confident | 83.6 | Confident | 113 Ų | 113 | 66.6 Ų | 66.6 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -69.8 | -38.5 | 174.7 | -174.1 | 166.9 | -17.9 | 0 | 0 | 112.1 | R396 K422 N444 | R396-Q442 HydrophobicContact CB-CB 4.02Å; R396-Q442 HydrophobicContact CG-CB 3.97Å; R396-Q442 HydrophobicContact CG-CG 4.41Å; K422-Q442 PolarHBondContact NZ-O 3.37Å; Q442-N444 VanDerWaalsContact C-N 3.33Å |
| 443 | D | 82.4 | Confident | 83.4 | Confident | 145 Ų | 145 | 61.9 Ų | 61.9 | 78% | 0.775 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -82 | -16.2 | -175.4 | -68.1 | -21.1 | 0 | 0 | 0 | 112.1 | D441 P445 | D441-D443 PolarHBondContact OD1-N 2.76Å; D443-P445 WeakPolarHBondContact O-CD 3.23Å |
| 444 | N | 80.6 | Confident | 83 | Confident | 32 Ų | 32 | 64 Ų | 64 | 17% | 0.171 | 34% | 0.341 | C | S | . | . | trans | -75.5 | 118.1 | 171 | -177.9 | -4.1 | 0 | 0 | 0 | 110.1 | K422 D441 Q442 D446 G447 C448 | K422-N444 WeakPolarHBondContact CE-O 3.32Å; K422-N444 PolarHBondContact NZ-O 3.16Å; D441-N444 HydrophobicContact CB-CB 3.9Å; Q442-N444 VanDerWaalsContact C-N 3.33Å; N444-D446 PolarHBondContact O-N 3.35Å; N444-D446 PolarHBondContact OD1-N 2.94Å; N444-G447 PolarHBondContact ND2-O 2.96Å; N444-G447 VanDerWaalsContact ND2-O 3.16Å; N444-G447 PolarHBondContact O-N 3.38Å; N444-G447 PolarHBondContact OD1-N 3.1Å; N444-C448 PolarHBondContact ND2-N 3.02Å; N444-C448 PolarHBondContact ND2-O 2.96Å | ||
| 445 | P | 82.5 | Confident | 82.7 | Confident | 97 Ų | 97 | 64 Ų | 64 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.1 | 178.9 | 26 | -34.8 | 0 | 0 | 0 | 113 | K422 D443 | K422-P445 WeakPolarHBondContact CD-O 3.12Å; K422-P445 WeakPolarHBondContact CG-O 3.38Å; D443-P445 WeakPolarHBondContact O-CD 3.23Å |
| 446 | D | 86.2 | Confident | 82.9 | Confident | 67 Ų | 67 | 63 Ų | 63 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -6 | 175.7 | -62.9 | -52.5 | 0 | 0 | 0 | 113.1 | T423 N424 N444 C448 | T423-D446 WeakPolarHBondContact CB-OD1 3.25Å; T423-D446 PolarHBondContact OG1-OD1 3.31Å; N424-D446 WeakPolarHBondContact CA-O 2.86Å; N424-D446 VanDerWaalsContact CB-O 3.31Å; N424-D446 WeakPolarHBondContact CB-O 3.16Å; N424-D446 PolarHBondContact N-O 2.75Å; N424-D446 WeakPolarHBondContact ND2-CB 3.03Å; N444-D446 PolarHBondContact O-N 3.35Å; N444-D446 PolarHBondContact OD1-N 2.94Å; D446-C448 VanDerWaalsContact C-N 3.28Å; D446-C448 PolarHBondContact O-N 2.96Å |
| 447 | G | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 79.7 | -54.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L440 D441 N444 | L440-G447 CarbonylContact C-O 3.45Å; L440-G447 WeakPolarHBondContact CA-O 2.73Å; D441-G447 PolarHBondContact N-O 2.97Å; N444-G447 PolarHBondContact ND2-O 2.96Å; N444-G447 VanDerWaalsContact ND2-O 3.16Å; N444-G447 PolarHBondContact O-N 3.38Å; N444-G447 PolarHBondContact OD1-N 3.1Å |
| 448 | C | 88.7 | Confident | 82.8 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -122.8 | 162.5 | -176.9 | -57.2 | 0 | 0 | 0 | 0 | 114.1 | N424 C433 F437 W438 N444 D446 | N424-C448 HydrophobicContact CB-CB 3.86Å; N424-C448 PolarHBondContact ND2-O 3.22Å; C433-C448 WeakPolarHBondContact CA-SG 3.42Å; C433-C448 HydrophobicContact CB-CB 3.77Å; C433-C448 WeakPolarHBondContact CB-SG 3.47Å; C433-C448 WeakPolarHBondContact SG-CB 2.87Å; C433-C448 CovalentContact SG-SG 2.04Å; C433-C448 PolarHBondContact SG-SG 3.26Å; F437-C448 HydrophobicContact CB-CB 3.82Å; W438-C448 WeakPolarHBondContact O-CB 3.41Å; N444-C448 PolarHBondContact ND2-N 3.02Å; N444-C448 PolarHBondContact ND2-O 2.96Å; D446-C448 VanDerWaalsContact C-N 3.28Å; D446-C448 PolarHBondContact O-N 2.96Å |
| 449 | I | 84.5 | Confident | 82.3 | Confident | 86 Ų | 86 | 59.5 Ų | 59.5 | 44% | 0.441 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 143.9 | -175.8 | -52.9 | 174.2 | 0 | 0 | 0 | 110.5 | F437 W438 | F437-I449 CarbonylContact C-O 3.54Å; F437-I449 WeakPolarHBondContact CA-O 2.97Å; F437-I449 WeakPolarHBondContact CB-O 3.04Å; W438-I449 PolarHBondContact N-O 2.98Å; W438-I449 PolarHBondContact O-N 2.89Å |
| 450 | Q | 83.3 | Confident | 81.5 | Confident | 142 Ų | 142 | 62.5 Ų | 62.5 | 66% | 0.664 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 145.5 | -172.5 | -163 | 179.8 | -0.2 | 0 | 0 | 114.5 | F437 | F437-Q450 HydrophobicContact CD1-CB 3.93Å; F437-Q450 HydrophobicContact CD1-CG 4.31Å; F437-Q450 HydrophobicContact CE1-CB 3.76Å; F437-Q450 HydrophobicContact CE1-CG 3.88Å; F437-Q450 HydrophobicContact CZ-CG 4.28Å |
| 451 | C | 77 | Confident | 80.5 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | trans | -74.2 | 161.1 | 169.9 | -56.9 | 0 | 0 | 0 | 0 | 113 | G436 C464 | G436-C451 VanDerWaalsContact CA-SG 3.51Å; G436-C451 PolarHBondContact O-N 2.99Å; G436-C451 PolarHBondContact O-SG 2.96Å; C451-C464 HydrophobicContact CB-CB 3.67Å; C451-C464 WeakPolarHBondContact CB-SG 3.04Å; C451-C464 WeakPolarHBondContact SG-CB 3.43Å; C451-C464 PolarHBondContact SG-N 3.3Å; C451-C464 VanDerWaalsContact SG-N 3.39Å; C451-C464 CovalentContact SG-SG 2.02Å; C451-C464 PolarHBondContact SG-SG 2.73Å | ||
| 452 | S | 80.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 69% | 0.685 | 35% | 0.349 | S | S | * | . | trans | -96.5 | -3.8 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 453 | C | 81.5 | Confident | 79.1 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.088 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -80.8 | 138.6 | -172.2 | -43.7 | 0 | 0 | 0 | 0 | 112.7 | L455 G463 C471 | C453-L455 PolarHBondContact O-N 2.97Å; C453-G463 WeakPolarHBondContact CB-O 3.1Å; C453-G463 PolarHBondContact SG-O 2.85Å; C453-C471 VanDerWaalsContact CA-SG 3.59Å; C453-C471 HydrophobicContact CB-CB 3.69Å; C453-C471 WeakPolarHBondContact CB-SG 2.96Å; C453-C471 WeakPolarHBondContact SG-CA 3.29Å; C453-C471 WeakPolarHBondContact SG-CB 3.24Å; C453-C471 CovalentContact SG-SG 2.02Å; C453-C471 PolarHBondContact SG-SG 2.65Å |
| 454 | N | 78 | Confident | 78.9 | Confident | 53 Ų | 53 | 52.9 Ų | 52.9 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | trans | -74.9 | 113.4 | 173.2 | -174.8 | -25.5 | 0 | 0 | 0 | 110.1 | L456 G457 T458 N481 C482 | N454-L456 VanDerWaalsContact C-N 3.28Å; N454-L456 PolarHBondContact O-N 3Å; N454-L456 PolarHBondContact OD1-N 2.88Å; N454-L456 VanDerWaalsContact OD1-N 3.1Å; N454-G457 PolarHBondContact O-N 2.85Å; N454-T458 WeakPolarHBondContact O-CB 2.86Å; N454-T458 PolarHBondContact O-N 3.15Å; N454-T458 PolarHBondContact O-OG1 2.86Å; N454-N481 WeakPolarHBondContact CB-O 3.37Å; N454-N481 PolarHBondContact N-O 2.93Å; N454-C482 WeakPolarHBondContact CB-O 3.13Å | ||
| 455 | L | 77.4 | Confident | 78.7 | Confident | 82 Ų | 82 | 55.1 Ų | 55.1 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -39 | -176.2 | -63.1 | 172.4 | 0 | 0 | 0 | 113.1 | C453 G457 T458 N461 G463 | C453-L455 PolarHBondContact O-N 2.97Å; L455-G457 PolarHBondContact O-N 2.66Å; L455-T458 PolarHBondContact O-N 3.44Å; L455-N461 WeakPolarHBondContact CD2-O 2.89Å; L455-N461 PolarHBondContact O-OD1 2.82Å; L455-N461 VanDerWaalsContact O-OD1 3.11Å; L455-G463 VanDerWaalsContact CD2-CA 3.4Å |
| 456 | L | 80.9 | Confident | 78.5 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 38% | 0.377 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -39.6 | -176.7 | -63.4 | 175.6 | 0 | 0 | 0 | 112 | N454 K474 L492 S493 D494 | N454-L456 VanDerWaalsContact C-N 3.28Å; N454-L456 PolarHBondContact O-N 3Å; N454-L456 PolarHBondContact OD1-N 2.88Å; N454-L456 VanDerWaalsContact OD1-N 3.1Å; L456-K474 WeakPolarHBondContact O-CD 3.39Å; L456-K474 VanDerWaalsContact O-CE 3.25Å; L456-K474 WeakPolarHBondContact O-CE 3.13Å; L456-K474 PolarHBondContact O-NZ 2.57Å; L456-L492 HydrophobicContact CB-CG 4.17Å; L456-S493 VanDerWaalsContact O-O 3.14Å; L456-D494 HydrophobicContact CD2-CB 4.21Å |
| 457 | G | 80.6 | Confident | 78 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -12.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N454 L455 C473 K474 C482 | N454-G457 PolarHBondContact O-N 2.85Å; L455-G457 PolarHBondContact O-N 2.66Å; G457-C473 CarbonylContact O-C 3.53Å; G457-C473 VanDerWaalsContact O-CA 3.23Å; G457-C473 WeakPolarHBondContact O-CA 2.95Å; G457-K474 PolarHBondContact O-N 2.86Å; G457-C482 WeakPolarHBondContact CA-O 3.46Å |
| 458 | T | 79.4 | Confident | 77.6 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -88.7 | 139 | -175.6 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | N454 L455 N460 N461 T472 K474 | N454-T458 WeakPolarHBondContact O-CB 2.86Å; N454-T458 PolarHBondContact O-N 3.15Å; N454-T458 PolarHBondContact O-OG1 2.86Å; L455-T458 PolarHBondContact O-N 3.44Å; T458-N460 PolarHBondContact O-N 2.96Å; T458-N461 PolarHBondContact O-N 2.96Å; T458-T472 CarbonylContact C-O 3.49Å; T458-T472 WeakPolarHBondContact CA-O 2.83Å; T458-T472 WeakPolarHBondContact CG2-O 3.2Å; T458-K474 WeakPolarHBondContact O-CE 3.1Å |
| 459 | V | 76.3 | Confident | 77 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -56.8 | 137 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | N461 T472 | V459-N461 PolarHBondContact O-N 3.27Å; V459-T472 PolarHBondContact N-O 2.7Å |
| 460 | N | 71.6 | Confident | 76.7 | Confident | 118 Ų | 118 | 68 Ų | 68 | 63% | 0.631 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | 56 | 6.8 | -176.5 | -60.1 | -8.7 | 0 | 0 | 0 | 116.7 | T458 E462 | T458-N460 PolarHBondContact O-N 2.96Å; N460-E462 HydrophobicContact CB-CG 3.77Å; N460-E462 WeakPolarHBondContact CB-OE1 2.76Å; N460-E462 PolarHBondContact ND2-OE1 3.12Å; N460-E462 PolarHBondContact O-N 2.91Å; N460-E462 VanDerWaalsContact O-N 3.15Å |
| 461 | N | 66.5 | Low | 76.6 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | 53.1 | 27.2 | -172.5 | -48.5 | -16 | 0 | 0 | 0 | 113.1 | L455 T458 V459 G463 K474 | L455-N461 WeakPolarHBondContact CD2-O 2.89Å; L455-N461 PolarHBondContact O-OD1 2.82Å; L455-N461 VanDerWaalsContact O-OD1 3.11Å; T458-N461 PolarHBondContact O-N 2.96Å; V459-N461 PolarHBondContact O-N 3.27Å; N461-G463 PolarHBondContact O-N 2.89Å; N461-K474 PolarHBondContact OD1-NZ 3.33Å; N461-K474 VanDerWaalsContact OD1-NZ 3.13Å |
| 462 | E | 65.6 | Low | 76.9 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | trans | -73.8 | -16.1 | -176.5 | -74.7 | 172.3 | -147.5 | 0 | 0 | 113 | G436 N460 C464 | G436-E462 PolarHBondContact N-O 3.32Å; G436-E462 VanDerWaalsContact N-O 3.08Å; N460-E462 HydrophobicContact CB-CG 3.77Å; N460-E462 WeakPolarHBondContact CB-OE1 2.76Å; N460-E462 PolarHBondContact ND2-OE1 3.12Å; N460-E462 PolarHBondContact O-N 2.91Å; N460-E462 VanDerWaalsContact O-N 3.15Å; E462-C464 PolarHBondContact O-N 2.82Å; E462-C464 VanDerWaalsContact O-N 3.17Å | ||
| 463 | G | 70.6 | Confident | 77.1 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | trans | 82 | -85.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | C453 L455 N461 | C453-G463 WeakPolarHBondContact CB-O 3.1Å; C453-G463 PolarHBondContact SG-O 2.85Å; L455-G463 VanDerWaalsContact CD2-CA 3.4Å; N461-G463 PolarHBondContact O-N 2.89Å | ||
| 464 | C | 78 | Confident | 77.2 | Confident | 10 Ų | 10 | 65 Ų | 65 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -148.9 | 167.9 | 175.1 | 76.2 | 0 | 0 | 0 | 0 | 111.6 | C451 E462 K466 G469 E470 | C451-C464 HydrophobicContact CB-CB 3.67Å; C451-C464 WeakPolarHBondContact CB-SG 3.04Å; C451-C464 WeakPolarHBondContact SG-CB 3.43Å; C451-C464 PolarHBondContact SG-N 3.3Å; C451-C464 VanDerWaalsContact SG-N 3.39Å; C451-C464 CovalentContact SG-SG 2.02Å; C451-C464 PolarHBondContact SG-SG 2.73Å; E462-C464 PolarHBondContact O-N 2.82Å; E462-C464 VanDerWaalsContact O-N 3.17Å; C464-K466 PolarHBondContact O-N 2.72Å; C464-G469 VanDerWaalsContact CB-C 3.48Å; C464-G469 VanDerWaalsContact SG-CA 3.54Å; C464-E470 VanDerWaalsContact CA-O 3.3Å; C464-E470 WeakPolarHBondContact CA-O 3.35Å; C464-E470 VanDerWaalsContact CB-O 3.32Å; C464-E470 WeakPolarHBondContact CB-O 3.27Å |
| 465 | D | 76.4 | Confident | 77.4 | Confident | 79 Ų | 79 | 70.9 Ų | 70.9 | 42% | 0.422 | 37% | 0.369 | S | S | . | . | trans | -57.5 | 127.7 | 172.4 | -179.5 | -68.6 | 0 | 0 | 0 | 111.1 | H467 T468 G469 | D465-H467 PolarHBondContact O-N 2.67Å; D465-H467 WeakPolarHBondContact OD1-CA 2.85Å; D465-H467 WeakPolarHBondContact OD1-CB 2.99Å; D465-H467 PolarHBondContact OD1-N 2.87Å; D465-T468 VanDerWaalsContact CB-OG1 3.26Å; D465-T468 WeakPolarHBondContact CB-OG1 2.92Å; D465-T468 PolarHBondContact O-N 2.58Å; D465-T468 PolarHBondContact OD1-N 3.3Å; D465-T468 PolarHBondContact OD1-OG1 2.63Å; D465-G469 PolarHBondContact O-N 2.96Å; D465-G469 VanDerWaalsContact O-N 3.13Å | ||
| 466 | K | 78.1 | Confident | 77.9 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8 | -173.5 | -60.1 | -169.6 | 178.9 | -162.9 | 0 | 114.8 | C433 N435 W438 C464 | C433-K466 PolarHBondContact O-NZ 2.67Å; N435-K466 WeakPolarHBondContact OD1-CE 2.99Å; N435-K466 PolarHBondContact OD1-NZ 3.2Å; W438-K466 WeakPolarHBondContact CA-O 3.09Å; W438-K466 VanDerWaalsContact CB-O 3.29Å; W438-K466 WeakPolarHBondContact CB-O 3.26Å; C464-K466 PolarHBondContact O-N 2.72Å |
| 467 | H | 76.5 | Confident | 78.1 | Confident | 165 Ų | 165 | 65.5 Ų | 65.5 | 76% | 0.764 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -30.1 | 175.9 | -61.5 | -66.5 | 0 | 0 | 0 | 113.3 | D465 | D465-H467 PolarHBondContact O-N 2.67Å; D465-H467 WeakPolarHBondContact OD1-CA 2.85Å; D465-H467 WeakPolarHBondContact OD1-CB 2.99Å; D465-H467 PolarHBondContact OD1-N 2.87Å |
| 468 | T | 77.9 | Confident | 78.3 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -32.5 | -170.1 | 73.4 | 0 | 0 | 0 | 0 | 117.1 | D465 | D465-T468 VanDerWaalsContact CB-OG1 3.26Å; D465-T468 WeakPolarHBondContact CB-OG1 2.92Å; D465-T468 PolarHBondContact O-N 2.58Å; D465-T468 PolarHBondContact OD1-N 3.3Å; D465-T468 PolarHBondContact OD1-OG1 2.63Å |
| 469 | G | 77.5 | Confident | 78.3 | Confident | 27 Ų | 27 | 70 Ų | 70 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | trans | 103.1 | 5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | C464 D465 | C464-G469 VanDerWaalsContact CB-C 3.48Å; C464-G469 VanDerWaalsContact SG-CA 3.54Å; D465-G469 PolarHBondContact O-N 2.96Å; D465-G469 VanDerWaalsContact O-N 3.13Å | ||
| 470 | E | 76.8 | Confident | 78.4 | Confident | 158 Ų | 158 | 74.7 Ų | 74.7 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | trans | -91.8 | 155 | -169.7 | -164.6 | 170.7 | -172.5 | 0 | 0 | 116.1 | C464 | C464-E470 VanDerWaalsContact CA-O 3.3Å; C464-E470 WeakPolarHBondContact CA-O 3.35Å; C464-E470 VanDerWaalsContact CB-O 3.32Å; C464-E470 WeakPolarHBondContact CB-O 3.27Å | ||
| 471 | C | 82.6 | Confident | 78.9 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 24% | 0.243 | 39% | 0.385 | C | S | . | . | trans | -111.2 | 154.7 | -173.1 | -43.4 | 0 | 0 | 0 | 0 | 114.8 | C453 | C453-C471 VanDerWaalsContact CA-SG 3.59Å; C453-C471 HydrophobicContact CB-CB 3.69Å; C453-C471 WeakPolarHBondContact CB-SG 2.96Å; C453-C471 WeakPolarHBondContact SG-CA 3.29Å; C453-C471 WeakPolarHBondContact SG-CB 3.24Å; C453-C471 CovalentContact SG-SG 2.02Å; C453-C471 PolarHBondContact SG-SG 2.65Å | ||
| 472 | T | 83.1 | Confident | 79.7 | Confident | 91 Ų | 91 | 70 Ų | 70 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | trans | -144.2 | 127.2 | 174.9 | 41.7 | 0 | 0 | 0 | 0 | 113.9 | T458 V459 | T458-T472 CarbonylContact C-O 3.49Å; T458-T472 WeakPolarHBondContact CA-O 2.83Å; T458-T472 WeakPolarHBondContact CG2-O 3.2Å; V459-T472 PolarHBondContact N-O 2.7Å | ||
| 473 | C | 84.1 | Confident | 80.7 | Confident | 57 Ų | 57 | 68 Ų | 68 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -98.3 | 158.4 | -166.8 | -47.2 | 0 | 0 | 0 | 0 | 117.8 | G457 C482 | G457-C473 CarbonylContact O-C 3.53Å; G457-C473 VanDerWaalsContact O-CA 3.23Å; G457-C473 WeakPolarHBondContact O-CA 2.95Å; C473-C482 WeakPolarHBondContact CA-SG 3.41Å; C473-C482 HydrophobicContact CB-CB 3.73Å; C473-C482 WeakPolarHBondContact CB-SG 3.37Å; C473-C482 VanDerWaalsContact SG-CA 3.52Å; C473-C482 WeakPolarHBondContact SG-CB 3.27Å; C473-C482 CovalentContact SG-SG 2.04Å; C473-C482 PolarHBondContact SG-SG 2.72Å |
| 474 | K | 84.1 | Confident | 81.3 | Confident | 24 Ų | 24 | 75 Ų | 75 | 10% | 0.104 | 39% | 0.389 | C | S | . | . | trans | -81.5 | 168.3 | 175.3 | -67.2 | -180 | -172.1 | 167.4 | 0 | 114.8 | L456 G457 T458 N461 V477 D494 E495 | L456-K474 WeakPolarHBondContact O-CD 3.39Å; L456-K474 VanDerWaalsContact O-CE 3.25Å; L456-K474 WeakPolarHBondContact O-CE 3.13Å; L456-K474 PolarHBondContact O-NZ 2.57Å; G457-K474 PolarHBondContact O-N 2.86Å; T458-K474 WeakPolarHBondContact O-CE 3.1Å; N461-K474 PolarHBondContact OD1-NZ 3.33Å; N461-K474 VanDerWaalsContact OD1-NZ 3.13Å; K474-V477 HydrophobicContact CB-CB 4.36Å; K474-V477 HydrophobicContact CB-CG2 3.91Å; K474-V477 PolarHBondContact O-N 3.25Å; K474-D494 VanDerWaalsContact NZ-C 3.31Å; K474-D494 PolarHBondContact NZ-O 2.56Å; K474-E495 WeakPolarHBondContact CD-O 3.03Å | ||
| 475 | R | 81.8 | Confident | 81.7 | Confident | 175 Ų | 175 | 75.9 Ų | 75.9 | 66% | 0.66 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -43.9 | -164.6 | -171 | 173.5 | 75.2 | 112.1 | -0.9 | 116.4 | V477 D497 | R475-V477 VanDerWaalsContact C-N 3.35Å; R475-D497 IonicContact CZ-OD1 3.91Å; R475-D497 IonicContact CZ-OD2 3.59Å; R475-D497 IonicContact NE-OD1 3.01Å; R475-D497 PolarHBondContact NE-OD1 2.79Å; R475-D497 IonicContact NE-OD2 2.75Å; R475-D497 IonicContact NH2-OD1 3.62Å; R475-D497 PolarHBondContact NH2-OD1 3.15Å; R475-D497 IonicContact NH2-OD2 2.76Å; R475-D497 PolarHBondContact NH2-OD2 2.99Å |
| 476 | L | 87 | Confident | 81.9 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 15% | 0.147 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 21.6 | 179.7 | -54.6 | -179.8 | 0 | 0 | 0 | 111.9 | L486 D497 C499 | L476-L486 HydrophobicContact CB-CD1 4.26Å; L476-L486 HydrophobicContact CD2-CD1 4.3Å; L476-D497 WeakPolarHBondContact CA-O 3.31Å; L476-D497 VanDerWaalsContact CB-O 3.28Å; L476-D497 WeakPolarHBondContact CB-O 2.94Å; L476-D497 HydrophobicContact CD1-CB 3.85Å; L476-D497 HydrophobicContact CG-CB 3.94Å; L476-D497 PolarHBondContact N-O 3.33Å; L476-C499 HydrophobicContact CB-CB 4.27Å |
| 477 | V | 86 | Confident | 82 | Confident | 14 Ų | 14 | 81.6 Ų | 81.6 | 9% | 0.085 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148.8 | -177.5 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | K474 R475 C482 R484 L492 | K474-V477 HydrophobicContact CB-CB 4.36Å; K474-V477 HydrophobicContact CB-CG2 3.91Å; K474-V477 PolarHBondContact O-N 3.25Å; R475-V477 VanDerWaalsContact C-N 3.35Å; V477-C482 HydrophobicContact CG1-CB 4.34Å; V477-R484 CarbonylContact C-O 3.51Å; V477-R484 VanDerWaalsContact CA-O 3.28Å; V477-R484 WeakPolarHBondContact CA-O 3.32Å; V477-L492 HydrophobicContact CB-CD1 4.19Å; V477-L492 HydrophobicContact CG1-CD1 3.65Å; V477-L492 HydrophobicContact CG2-CD1 3.43Å; V477-L492 VanDerWaalsContact CG2-CD1 3.43Å |
| 478 | T | 84.4 | Confident | 82.3 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 166.8 | -179.5 | -168.7 | 0 | 0 | 0 | 0 | 112.4 | D483 R484 | T478-D483 PolarHBondContact O-N 2.96Å; T478-R484 HydrophobicContact CG2-CB 3.96Å; T478-R484 PolarHBondContact N-O 2.69Å; T478-R484 PolarHBondContact O-N 2.83Å |
| 479 | G | 79.3 | Confident | 82.8 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.6 | 152.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N481 C482 | G479-N481 VanDerWaalsContact C-N 3.25Å; G479-N481 PolarHBondContact O-N 2.97Å; G479-C482 WeakPolarHBondContact O-CA 2.9Å; G479-C482 PolarHBondContact O-N 2.76Å |
| 480 | D | 78.4 | Confident | 83.3 | Confident | 159 Ų | 159 | 78.7 Ų | 78.7 | 85% | 0.85 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32 | -174.9 | -57.8 | -29.2 | 0 | 0 | 0 | 113.3 | ||
| 481 | N | 81.3 | Confident | 83.6 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 40% | 0.401 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 9.6 | 174.3 | -61.9 | -32 | 0 | 0 | 0 | 112.7 | N454 G479 | N454-N481 WeakPolarHBondContact CB-O 3.37Å; N454-N481 PolarHBondContact N-O 2.93Å; G479-N481 VanDerWaalsContact C-N 3.25Å; G479-N481 PolarHBondContact O-N 2.97Å |
| 482 | C | 85 | Confident | 83.7 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 56.8 | -173.7 | -45.8 | 0 | 0 | 0 | 0 | 114 | N454 G457 C473 V477 G479 | N454-C482 WeakPolarHBondContact CB-O 3.13Å; G457-C482 WeakPolarHBondContact CA-O 3.46Å; C473-C482 WeakPolarHBondContact CA-SG 3.41Å; C473-C482 HydrophobicContact CB-CB 3.73Å; C473-C482 WeakPolarHBondContact CB-SG 3.37Å; C473-C482 VanDerWaalsContact SG-CA 3.52Å; C473-C482 WeakPolarHBondContact SG-CB 3.27Å; C473-C482 CovalentContact SG-SG 2.04Å; C473-C482 PolarHBondContact SG-SG 2.72Å; V477-C482 HydrophobicContact CG1-CB 4.34Å; G479-C482 WeakPolarHBondContact O-CA 2.9Å; G479-C482 PolarHBondContact O-N 2.76Å |
| 483 | D | 84.8 | Confident | 83.5 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 32% | 0.316 | 35% | 0.351 | S | S | . | . | trans | -117.3 | -0.7 | -161.7 | 67.2 | 3.4 | 0 | 0 | 0 | 117.7 | T478 | T478-D483 PolarHBondContact O-N 2.96Š| ||
| 484 | R | 84.9 | Confident | 83.1 | Confident | 149 Ų | 149 | 71.4 Ų | 71.4 | 56% | 0.562 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 150.7 | -173.7 | -82.8 | 166 | -81.9 | -179.4 | -9.9 | 115.1 | V477 T478 | V477-R484 CarbonylContact C-O 3.51Å; V477-R484 VanDerWaalsContact CA-O 3.28Å; V477-R484 WeakPolarHBondContact CA-O 3.32Å; T478-R484 HydrophobicContact CG2-CB 3.96Å; T478-R484 PolarHBondContact N-O 2.69Å; T478-R484 PolarHBondContact O-N 2.83Å |
| 485 | C | 85.1 | Confident | 82.7 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 164.2 | 171.6 | -63.7 | 0 | 0 | 0 | 0 | 113.4 | L492 C499 | C485-L492 PolarHBondContact SG-N 3.02Å; C485-C499 WeakPolarHBondContact CA-SG 2.92Å; C485-C499 HydrophobicContact CB-CB 3.78Å; C485-C499 WeakPolarHBondContact CB-SG 3.16Å; C485-C499 WeakPolarHBondContact SG-CB 3.31Å; C485-C499 CovalentContact SG-SG 2.04Å; C485-C499 PolarHBondContact SG-SG 3.48Å |
| 486 | L | 81.1 | Confident | 82.5 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 48% | 0.482 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 164.8 | 166 | -78.6 | 126 | 0 | 0 | 0 | 113.1 | L476 H489 | L476-L486 HydrophobicContact CB-CD1 4.26Å; L476-L486 HydrophobicContact CD2-CD1 4.3Å; L486-H489 PolarHBondContact O-N 2.57Å |
| 487 | E | 80.2 | Confident | 82.2 | Confident | 184 Ų | 184 | 72.4 Ų | 72.4 | 86% | 0.86 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 156.6 | 176.6 | -69.7 | -174.5 | 153.3 | 0 | 0 | 113.3 | H489 | E487-H489 PolarHBondContact O-N 2.75Å; E487-H489 VanDerWaalsContact O-N 3.08Å; E487-H489 PolarHBondContact O-ND1 2.69Å |
| 488 | E | 83.3 | Confident | 82 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 10.7 | -168.2 | -59.8 | -168.3 | 164.3 | 0 | 0 | 114.9 | P501 C502 | E488-P501 WeakPolarHBondContact O-CA 3.36Å; E488-C502 PolarHBondContact O-N 2.58Å; E488-C502 PolarHBondContact O-SG 2.98Å; E488-C502 VanDerWaalsContact O-SG 3.34Å |
| 489 | H | 87.9 | Confident | 82.1 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 154.6 | 176.5 | -58.9 | 68.9 | 0 | 0 | 0 | 111.8 | L486 E487 C499 K500 | L486-H489 PolarHBondContact O-N 2.57Å; E487-H489 PolarHBondContact O-N 2.75Å; E487-H489 VanDerWaalsContact O-N 3.08Å; E487-H489 PolarHBondContact O-ND1 2.69Å; H489-C499 HydrophobicContact CB-CB 4.22Å; H489-K500 CarbonylContact C-O 3.58Å; H489-K500 WeakPolarHBondContact CA-O 2.96Å; H489-K500 WeakPolarHBondContact CB-O 2.9Å |
| 490 | Y | 87.4 | Confident | 82.4 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 15% | 0.153 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 166 | -177 | 77.8 | -85 | 0 | 0 | 0 | 112.7 | K500 P501 D515 S516 N518 G519 R530 | Y490-K500 HydrophobicContact CD1-CB 4.42Å; Y490-K500 VanDerWaalsContact CD1-O 3.29Å; Y490-K500 WeakPolarHBondContact CD1-O 3Å; Y490-K500 HydrophobicContact CE1-CB 4.11Å; Y490-K500 PolarHBondContact N-O 3.32Å; Y490-K500 PolarHBondContact O-N 2.64Å; Y490-P501 WeakPolarHBondContact CE1-O 3.43Å; Y490-D515 VanDerWaalsContact CB-O 3.26Å; Y490-D515 WeakPolarHBondContact CB-O 2.86Å; Y490-S516 VanDerWaalsContact CA-O 3.24Å; Y490-S516 WeakPolarHBondContact CA-O 2.98Å; Y490-S516 WeakPolarHBondContact CB-O 3.05Å; Y490-N518 VanDerWaalsContact CD2-C 3.41Å; Y490-N518 WeakPolarHBondContact CE2-O 3.14Å; Y490-G519 VanDerWaalsContact CD2-CA 3.42Å; Y490-G519 VanDerWaalsContact CD2-N 3.27Å; Y490-R530 VanDerWaalsContact OH-CD 3.31Å; Y490-R530 WeakPolarHBondContact OH-CD 2.92Å; Y490-R530 PolarHBondContact OH-NE 3.1Å |
| 491 | G | 84.7 | Confident | 82.7 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | trans | 71.7 | 73.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S493 S516 | G491-S493 WeakPolarHBondContact O-CB 2.77Å; G491-S493 PolarHBondContact O-N 2.79Å; G491-S493 PolarHBondContact O-OG 2.87Å; G491-S516 PolarHBondContact N-O 3.1Å; G491-S516 VanDerWaalsContact N-O 3.14Å | ||
| 492 | L | 83.1 | Confident | 82.8 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 20% | 0.204 | 33% | 0.331 | C | S | . | . | trans | -56.4 | 118.2 | 170.5 | -178.8 | 64.3 | 0 | 0 | 0 | 109.8 | L456 V477 C485 G498 | L456-L492 HydrophobicContact CB-CG 4.17Å; V477-L492 HydrophobicContact CB-CD1 4.19Å; V477-L492 HydrophobicContact CG1-CD1 3.65Å; V477-L492 HydrophobicContact CG2-CD1 3.43Å; V477-L492 VanDerWaalsContact CG2-CD1 3.43Å; C485-L492 PolarHBondContact SG-N 3.02Å; L492-G498 CarbonylContact C-O 3.5Å; L492-G498 WeakPolarHBondContact CA-O 3.4Å | ||
| 493 | S | 79.3 | Confident | 82.8 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | trans | -144.5 | 176.1 | -166.8 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | L456 G491 E495 G498 | L456-S493 VanDerWaalsContact O-O 3.14Å; G491-S493 WeakPolarHBondContact O-CB 2.77Å; G491-S493 PolarHBondContact O-N 2.79Å; G491-S493 PolarHBondContact O-OG 2.87Å; S493-E495 PolarHBondContact O-N 2.67Å; S493-G498 PolarHBondContact N-O 3.22Å; S493-G498 PolarHBondContact OG-O 3.23Å; S493-G498 VanDerWaalsContact OG-O 3.07Å | ||
| 494 | D | 76 | Confident | 82.8 | Confident | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -76.3 | -8.6 | -179.3 | 95.4 | -34 | 0 | 0 | 0 | 114 | L456 K474 | L456-D494 HydrophobicContact CD2-CB 4.21Å; K474-D494 VanDerWaalsContact NZ-C 3.31Å; K474-D494 PolarHBondContact NZ-O 2.56Å |
| 495 | E | 76.8 | Confident | 82.6 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -54.4 | 153.9 | -177.4 | -71.6 | -168.6 | 178.4 | 0 | 0 | 112.8 | K474 S493 D497 G498 K500 | K474-E495 WeakPolarHBondContact CD-O 3.03Å; S493-E495 PolarHBondContact O-N 2.67Å; E495-D497 PolarHBondContact O-N 2.56Å; E495-G498 WeakPolarHBondContact O-CA 3.49Å; E495-G498 PolarHBondContact O-N 3.29Å; E495-K500 WeakPolarHBondContact OE1-CE 3.29Å; E495-K500 IonicContact OE1-NZ 2.79Å; E495-K500 PolarHBondContact OE1-NZ 2.69Å; E495-K500 WeakPolarHBondContact OE2-CE 3.35Å; E495-K500 IonicContact OE2-NZ 3.48Å |
| 496 | P | 76.7 | Confident | 82.1 | Confident | 119 Ų | 119 | 62.8 Ų | 62.8 | 77% | 0.773 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.1 | -171 | -27.5 | 35.2 | 0 | 0 | 0 | 114.6 | ||
| 497 | D | 81.1 | Confident | 81.8 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -21.6 | 176.7 | -82.3 | -20 | 0 | 0 | 0 | 113.5 | R475 L476 E495 | R475-D497 IonicContact CZ-OD1 3.91Å; R475-D497 IonicContact CZ-OD2 3.59Å; R475-D497 IonicContact NE-OD1 3.01Å; R475-D497 PolarHBondContact NE-OD1 2.79Å; R475-D497 IonicContact NE-OD2 2.75Å; R475-D497 IonicContact NH2-OD1 3.62Å; R475-D497 PolarHBondContact NH2-OD1 3.15Å; R475-D497 IonicContact NH2-OD2 2.76Å; R475-D497 PolarHBondContact NH2-OD2 2.99Å; L476-D497 WeakPolarHBondContact CA-O 3.31Å; L476-D497 VanDerWaalsContact CB-O 3.28Å; L476-D497 WeakPolarHBondContact CB-O 2.94Å; L476-D497 HydrophobicContact CD1-CB 3.85Å; L476-D497 HydrophobicContact CG-CB 3.94Å; L476-D497 PolarHBondContact N-O 3.33Å; E495-D497 PolarHBondContact O-N 2.56Å |
| 498 | G | 81.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 91.3 | -32.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L492 S493 E495 | L492-G498 CarbonylContact C-O 3.5Å; L492-G498 WeakPolarHBondContact CA-O 3.4Å; S493-G498 PolarHBondContact N-O 3.22Å; S493-G498 PolarHBondContact OG-O 3.23Å; S493-G498 VanDerWaalsContact OG-O 3.07Å; E495-G498 WeakPolarHBondContact O-CA 3.49Å; E495-G498 PolarHBondContact O-N 3.29Å |
| 499 | C | 87.6 | Confident | 81.7 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -140.2 | 158.9 | -176.5 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | L476 C485 H489 | L476-C499 HydrophobicContact CB-CB 4.27Å; C485-C499 WeakPolarHBondContact CA-SG 2.92Å; C485-C499 HydrophobicContact CB-CB 3.78Å; C485-C499 WeakPolarHBondContact CB-SG 3.16Å; C485-C499 WeakPolarHBondContact SG-CB 3.31Å; C485-C499 CovalentContact SG-SG 2.04Å; C485-C499 PolarHBondContact SG-SG 3.48Å; H489-C499 HydrophobicContact CB-CB 4.22Å | ||
| 500 | K | 84.9 | Confident | 81.3 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 149 | -171.5 | -65.6 | -179.4 | 177.9 | -178.6 | 0 | 114.1 | H489 Y490 E495 | H489-K500 CarbonylContact C-O 3.58Å; H489-K500 WeakPolarHBondContact CA-O 2.96Å; H489-K500 WeakPolarHBondContact CB-O 2.9Å; Y490-K500 HydrophobicContact CD1-CB 4.42Å; Y490-K500 VanDerWaalsContact CD1-O 3.29Å; Y490-K500 WeakPolarHBondContact CD1-O 3Å; Y490-K500 HydrophobicContact CE1-CB 4.11Å; Y490-K500 PolarHBondContact N-O 3.32Å; Y490-K500 PolarHBondContact O-N 2.64Å; E495-K500 WeakPolarHBondContact OE1-CE 3.29Å; E495-K500 IonicContact OE1-NZ 2.79Å; E495-K500 PolarHBondContact OE1-NZ 2.69Å; E495-K500 WeakPolarHBondContact OE2-CE 3.35Å; E495-K500 IonicContact OE2-NZ 3.48Å |
| 501 | P | 83.8 | Confident | 80.7 | Confident | 84 Ų | 84 | 48.2 Ų | 48.2 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 156 | -179.2 | 31.6 | -36.7 | 0 | 0 | 0 | 114.9 | E488 Y490 | E488-P501 WeakPolarHBondContact O-CA 3.36Å; Y490-P501 WeakPolarHBondContact CE1-O 3.43Å |
| 502 | C | 84.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | trans | -65.3 | -56.2 | -174.1 | -70.3 | 0 | 0 | 0 | 0 | 117.3 | E488 C514 R530 | E488-C502 PolarHBondContact O-N 2.58Å; E488-C502 PolarHBondContact O-SG 2.98Å; E488-C502 VanDerWaalsContact O-SG 3.34Å; C502-C514 WeakPolarHBondContact CA-SG 2.96Å; C502-C514 HydrophobicContact CB-CB 3.7Å; C502-C514 WeakPolarHBondContact CB-SG 3.04Å; C502-C514 WeakPolarHBondContact SG-CB 3Å; C502-C514 PolarHBondContact SG-N 2.68Å; C502-C514 CovalentContact SG-SG 2.03Å; C502-C514 PolarHBondContact SG-SG 2.92Å; C502-R530 PolarHBondContact O-NH1 2.8Å; C502-R530 PolarHBondContact O-NH2 3.39Å | ||
| 503 | D | 84.8 | Confident | 80.5 | Confident | 84 Ų | 84 | 53.3 Ų | 53.3 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | trans | 49.3 | 75.7 | 176.6 | 178.1 | 40.2 | 0 | 0 | 0 | 116.6 | R530 R531 | D503-R530 PolarHBondContact O-NH2 3.24Å; D503-R531 VanDerWaalsContact O-CG 3.3Å; D503-R531 WeakPolarHBondContact O-CG 3.02Å; D503-R531 PolarHBondContact O-NE 3.18Å; D503-R531 IonicContact OD1-CZ 3.6Å; D503-R531 IonicContact OD1-NE 2.72Å; D503-R531 IonicContact OD1-NH2 3.72Å; D503-R531 PolarHBondContact OD1-NH2 2.66Å; D503-R531 IonicContact OD2-CZ 3.77Å; D503-R531 VanDerWaalsContact OD2-CZ 3.27Å; D503-R531 IonicContact OD2-NE 2.86Å; D503-R531 PolarHBondContact OD2-NE 3.44Å; D503-R531 IonicContact OD2-NH2 3.27Å; D503-R531 PolarHBondContact OD2-NH2 3.04Å | ||
| 504 | C | 84.3 | Confident | 80.8 | Confident | 13 Ų | 13 | 53 Ų | 53 | 9% | 0.088 | 29% | 0.289 | C | S | . | . | trans | -96.1 | 153.2 | 179.7 | -53 | 0 | 0 | 0 | 0 | 114.1 | A509 D511 N512 C521 | C504-A509 HydrophobicContact CB-CB 4.12Å; C504-D511 WeakPolarHBondContact CB-O 3.38Å; C504-N512 PolarHBondContact N-OD1 2.64Å; C504-C521 WeakPolarHBondContact CA-SG 2.9Å; C504-C521 HydrophobicContact CB-CB 3.66Å; C504-C521 WeakPolarHBondContact CB-SG 3.31Å; C504-C521 WeakPolarHBondContact SG-CB 3.38Å; C504-C521 CovalentContact SG-SG 2.02Å; C504-C521 PolarHBondContact SG-SG 3.35Å | ||
| 505 | D | 80.3 | Confident | 81 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | trans | -76.8 | 142.5 | 179.9 | -175.7 | 65.7 | 0 | 0 | 0 | 114 | G507 G508 A509 R531 D533 | D505-G507 WeakPolarHBondContact OD2-CA 3.31Å; D505-G507 PolarHBondContact OD2-N 2.76Å; D505-G508 PolarHBondContact OD2-N 3.28Å; D505-A509 WeakPolarHBondContact O-CB 2.96Å; D505-A509 PolarHBondContact O-N 2.68Å; D505-A509 VanDerWaalsContact O-N 3.13Å; D505-R531 VanDerWaalsContact CB-O 3.23Å; D505-R531 WeakPolarHBondContact CB-O 3.46Å; D505-R531 PolarHBondContact N-O 2.67Å; D505-D533 HydrophobicContact CB-CB 4.06Å | ||
| 506 | V | 75.3 | Confident | 80.9 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 42% | 0.418 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -24.3 | -172.5 | -178 | 0 | 0 | 0 | 0 | 113.5 | ||
| 507 | G | 73.5 | Confident | 80.9 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -54.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D505 R524 | D505-G507 WeakPolarHBondContact OD2-CA 3.31Å; D505-G507 PolarHBondContact OD2-N 2.76Å; G507-R524 WeakPolarHBondContact O-CD 2.92Å; G507-R524 PolarHBondContact O-NE 2.63Å |
| 508 | G | 79 | Confident | 80.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -13.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D505 C523 R524 C532 | D505-G508 PolarHBondContact OD2-N 3.28Å; G508-C523 CarbonylContact O-C 3.52Å; G508-C523 WeakPolarHBondContact O-CA 3.3Å; G508-R524 PolarHBondContact O-N 3.46Å; G508-C532 VanDerWaalsContact C-CB 3.45Å; G508-C532 VanDerWaalsContact CA-O 3.26Å; G508-C532 WeakPolarHBondContact CA-O 3.32Å; G508-C532 WeakPolarHBondContact O-CB 3.38Å |
| 509 | A | 83.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -97.7 | 160.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C504 D505 R522 C532 | C504-A509 HydrophobicContact CB-CB 4.12Å; D505-A509 WeakPolarHBondContact O-CB 2.96Å; D505-A509 PolarHBondContact O-N 2.68Å; D505-A509 VanDerWaalsContact O-N 3.13Å; A509-R522 CarbonylContact C-O 3.48Å; A509-R522 VanDerWaalsContact CA-O 3.3Å; A509-R522 WeakPolarHBondContact CA-O 3.25Å; A509-C532 HydrophobicContact CB-CB 3.88Å |
| 510 | Y | 78.3 | Confident | 81.1 | Confident | 134 Ų | 134 | 54.6 Ų | 54.6 | 53% | 0.525 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -84.7 | -35.5 | 172.1 | -68.2 | -67.7 | 0 | 0 | 0 | 113.1 | R522 C523 R524 | Y510-R522 HydrophobicContact CD2-CB 4.33Å; Y510-R522 WeakPolarHBondContact CD2-O 3.05Å; Y510-R522 PolarHBondContact N-O 2.6Å; Y510-C523 WeakPolarHBondContact CE2-O 3.43Å; Y510-R524 HydrophobicContact CD1-CG 4.33Å; Y510-R524 HydrophobicContact CE1-CG 3.97Å |
| 511 | D | 76.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 51.1 Ų | 51.1 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | trans | -157.9 | -179.1 | -176.7 | 63.9 | 65.2 | 0 | 0 | 0 | 111.6 | C504 V513 R522 | C504-D511 WeakPolarHBondContact CB-O 3.38Å; D511-V513 WeakPolarHBondContact OD1-CB 3.23Å; D511-V513 PolarHBondContact OD1-N 3.44Å; D511-R522 IonicContact OD2-CZ 3.18Å; D511-R522 IonicContact OD2-NH1 2.69Å; D511-R522 PolarHBondContact OD2-NH1 2.59Å | ||
| 512 | N | 80.4 | Confident | 81.5 | Confident | 72 Ų | 72 | 54.2 Ų | 54.2 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -100.4 | 12.7 | -176.3 | -166 | 62.4 | 0 | 0 | 0 | 114.3 | C504 | C504-N512 PolarHBondContact N-OD1 2.64Š|
| 513 | V | 81.9 | Confident | 81.6 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | trans | -87.5 | 132 | 179 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | D511 | D511-V513 WeakPolarHBondContact OD1-CB 3.23Å; D511-V513 PolarHBondContact OD1-N 3.44Å | ||
| 514 | C | 85.6 | Confident | 81.5 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 14% | 0.142 | 29% | 0.293 | C | S | . | . | trans | -126.8 | 160.6 | 179.7 | 79.6 | 0 | 0 | 0 | 0 | 113.3 | C502 G519 Q520 | C502-C514 WeakPolarHBondContact CA-SG 2.96Å; C502-C514 HydrophobicContact CB-CB 3.7Å; C502-C514 WeakPolarHBondContact CB-SG 3.04Å; C502-C514 WeakPolarHBondContact SG-CB 3Å; C502-C514 PolarHBondContact SG-N 2.68Å; C502-C514 CovalentContact SG-SG 2.03Å; C502-C514 PolarHBondContact SG-SG 2.92Å; C514-G519 WeakPolarHBondContact CB-O 2.88Å; C514-Q520 WeakPolarHBondContact CA-O 3.08Å | ||
| 515 | D | 80.6 | Confident | 81.6 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | trans | -66.7 | 134.1 | 175 | 176.5 | -83.5 | 0 | 0 | 0 | 111.9 | Y490 G517 N518 G519 Q520 | Y490-D515 VanDerWaalsContact CB-O 3.26Å; Y490-D515 WeakPolarHBondContact CB-O 2.86Å; D515-G517 VanDerWaalsContact C-N 3.28Å; D515-G517 PolarHBondContact O-N 2.73Å; D515-G517 VanDerWaalsContact OD1-CA 3.32Å; D515-G517 WeakPolarHBondContact OD1-CA 3.39Å; D515-G517 PolarHBondContact OD1-N 2.72Å; D515-N518 WeakPolarHBondContact CB-OD1 3.25Å; D515-N518 PolarHBondContact OD1-N 2.77Å; D515-N518 PolarHBondContact OD1-OD1 3.31Å; D515-G519 WeakPolarHBondContact O-CA 3.33Å; D515-G519 PolarHBondContact O-N 3.09Å; D515-Q520 PolarHBondContact N-O 2.75Å | ||
| 516 | S | 75.6 | Confident | 82 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14.4 | -174.6 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | Y490 G491 | Y490-S516 VanDerWaalsContact CA-O 3.24Å; Y490-S516 WeakPolarHBondContact CA-O 2.98Å; Y490-S516 WeakPolarHBondContact CB-O 3.05Å; G491-S516 PolarHBondContact N-O 3.1Å; G491-S516 VanDerWaalsContact N-O 3.14Å |
| 517 | G | 74.8 | Confident | 82.5 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -54.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D515 | D515-G517 VanDerWaalsContact C-N 3.28Å; D515-G517 PolarHBondContact O-N 2.73Å; D515-G517 VanDerWaalsContact OD1-CA 3.32Å; D515-G517 WeakPolarHBondContact OD1-CA 3.39Å; D515-G517 PolarHBondContact OD1-N 2.72Å |
| 518 | N | 82.2 | Confident | 83 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -11 | -168.4 | 67.9 | 38.4 | 0 | 0 | 0 | 115.3 | Y490 D515 Q520 | Y490-N518 VanDerWaalsContact CD2-C 3.41Å; Y490-N518 WeakPolarHBondContact CE2-O 3.14Å; D515-N518 WeakPolarHBondContact CB-OD1 3.25Å; D515-N518 PolarHBondContact OD1-N 2.77Å; D515-N518 PolarHBondContact OD1-OD1 3.31Å; N518-Q520 VanDerWaalsContact C-N 3.35Å; N518-Q520 PolarHBondContact O-N 3Å; N518-Q520 WeakPolarHBondContact OD1-CB 3.21Å; N518-Q520 PolarHBondContact OD1-N 3.49Å |
| 519 | G | 85.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | 74.9 | 15.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y490 C514 D515 C521 R530 | Y490-G519 VanDerWaalsContact CD2-CA 3.42Å; Y490-G519 VanDerWaalsContact CD2-N 3.27Å; C514-G519 WeakPolarHBondContact CB-O 2.88Å; D515-G519 WeakPolarHBondContact O-CA 3.33Å; D515-G519 PolarHBondContact O-N 3.09Å; G519-C521 PolarHBondContact O-N 3.4Å; G519-R530 VanDerWaalsContact O-CG 3.24Å; G519-R530 WeakPolarHBondContact O-CG 3.32Å; G519-R530 PolarHBondContact O-NH1 3.2Å | ||
| 520 | Q | 88.1 | Confident | 83.3 | Confident | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | trans | -69.4 | 126.5 | -177.7 | -177.8 | 59.1 | 54.6 | 0 | 0 | 112.2 | C514 D515 N518 G529 R530 | C514-Q520 WeakPolarHBondContact CA-O 3.08Å; D515-Q520 PolarHBondContact N-O 2.75Å; N518-Q520 VanDerWaalsContact C-N 3.35Å; N518-Q520 PolarHBondContact O-N 3Å; N518-Q520 WeakPolarHBondContact OD1-CB 3.21Å; N518-Q520 PolarHBondContact OD1-N 3.49Å; Q520-G529 PolarHBondContact NE2-O 2.91Å; Q520-R530 PolarHBondContact NE2-O 3Å | ||
| 521 | C | 87.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.034 | 32% | 0.322 | C | S | . | . | trans | -83.3 | 163.7 | 172.4 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | C504 G519 R530 | C504-C521 WeakPolarHBondContact CA-SG 2.9Å; C504-C521 HydrophobicContact CB-CB 3.66Å; C504-C521 WeakPolarHBondContact CB-SG 3.31Å; C504-C521 WeakPolarHBondContact SG-CB 3.38Å; C504-C521 CovalentContact SG-SG 2.02Å; C504-C521 PolarHBondContact SG-SG 3.35Å; G519-C521 PolarHBondContact O-N 3.4Å; C521-R530 WeakPolarHBondContact CB-O 2.82Å; C521-R530 PolarHBondContact N-O 3.03Å; C521-R530 PolarHBondContact SG-O 3.3Å | ||
| 522 | R | 88.4 | Confident | 84.2 | Confident | 149 Ų | 149 | 55.6 Ų | 55.6 | 56% | 0.562 | 31% | 0.308 | S | S | * | . | trans | -90.4 | 103.8 | -177.4 | -60 | 175.4 | 66.7 | -146.7 | 2 | 111.6 | A509 Y510 D511 | A509-R522 CarbonylContact C-O 3.48Å; A509-R522 VanDerWaalsContact CA-O 3.3Å; A509-R522 WeakPolarHBondContact CA-O 3.25Å; Y510-R522 HydrophobicContact CD2-CB 4.33Å; Y510-R522 WeakPolarHBondContact CD2-O 3.05Å; Y510-R522 PolarHBondContact N-O 2.6Å; D511-R522 IonicContact OD2-CZ 3.18Å; D511-R522 IonicContact OD2-NH1 2.69Å; D511-R522 PolarHBondContact OD2-NH1 2.59Å | ||
| 523 | C | 87 | Confident | 84.3 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 150.7 | -171.1 | -47.1 | 0 | 0 | 0 | 0 | 114.9 | G508 Y510 F527 C532 | G508-C523 CarbonylContact O-C 3.52Å; G508-C523 WeakPolarHBondContact O-CA 3.3Å; Y510-C523 WeakPolarHBondContact CE2-O 3.43Å; C523-F527 HydrophobicContact CB-CB 4.42Å; C523-F527 WeakPolarHBondContact CB-O 3.14Å; C523-C532 WeakPolarHBondContact CA-SG 3.39Å; C523-C532 HydrophobicContact CB-CB 3.53Å; C523-C532 WeakPolarHBondContact CB-SG 3.32Å; C523-C532 PolarHBondContact N-SG 2.85Å; C523-C532 VanDerWaalsContact SG-CA 3.57Å; C523-C532 WeakPolarHBondContact SG-CB 3.26Å; C523-C532 CovalentContact SG-SG 2.03Å; C523-C532 PolarHBondContact SG-SG 2.83Å |
| 524 | R | 84.4 | Confident | 84.4 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 167.4 | 167.1 | -66.1 | -168.8 | -165.5 | -103.9 | -7.7 | 111.5 | G507 G508 Y510 H526 F527 D756 | G507-R524 WeakPolarHBondContact O-CD 2.92Å; G507-R524 PolarHBondContact O-NE 2.63Å; G508-R524 PolarHBondContact O-N 3.46Å; Y510-R524 HydrophobicContact CD1-CG 4.33Å; Y510-R524 HydrophobicContact CE1-CG 3.97Å; R524-H526 PolarHBondContact O-N 3.11Å; R524-F527 HydrophobicContact CB-CD2 4.11Å; R524-F527 PolarHBondContact O-N 2.8Å; R524-F527 VanDerWaalsContact O-N 3.15Å; R524-D756 IonicContact CZ-OD1 2.67Å; R524-D756 IonicContact NH1-OD1 3.6Å; R524-D756 PolarHBondContact NH1-OD1 2.86Å |
| 525 | S | 85.8 | Confident | 84.2 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | -61.9 | 131.3 | 179.5 | -159.5 | 0 | 0 | 0 | 0 | 111.7 | F527 Q757 G758 | S525-F527 VanDerWaalsContact C-N 3.26Å; S525-F527 PolarHBondContact O-N 3.41Å; S525-Q757 VanDerWaalsContact O-CA 3.31Å; S525-Q757 WeakPolarHBondContact O-CA 3.36Å; S525-G758 PolarHBondContact O-N 3.13Å; S525-G758 VanDerWaalsContact O-N 3.12Å |
| 526 | H | 88.1 | Confident | 84.3 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 21% | 0.213 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 25.3 | -175.6 | -48.3 | -55.7 | 0 | 0 | 0 | 115.7 | R524 P535 D536 Y539 | R524-H526 PolarHBondContact O-N 3.11Å; H526-P535 CarbonylContact O-C 3.5Å; H526-P535 VanDerWaalsContact O-CA 3.28Å; H526-P535 WeakPolarHBondContact O-CA 3.48Å; H526-D536 WeakPolarHBondContact CA-OD2 3.38Å; H526-D536 HydrophobicContact CB-CB 4.34Å; H526-D536 IonicContact ND1-OD2 2.87Å; H526-D536 PolarHBondContact O-N 2.73Å; H526-Y539 HydrophobicContact CB-CD1 3.81Å; H526-Y539 HydrophobicContact CB-CD2 4.3Å; H526-Y539 HydrophobicContact CB-CE1 4.21Å; H526-Y539 HydrophobicContact CB-CG 3.87Å; H526-Y539 AromaticContact CD2-CD1 3.8Å; H526-Y539 AromaticContact CD2-CE1 3.41Å; H526-Y539 VanDerWaalsContact CD2-CE1 3.41Å; H526-Y539 WeakPolarHBondContact CD2-CE1 3.12Å; H526-Y539 AromaticContact CD2-CZ 3.95Å; H526-Y539 AromaticContact CE1-CE1 3.76Å; H526-Y539 AromaticContact CE1-CZ 3.47Å; H526-Y539 VanDerWaalsContact CE1-CZ 3.47Å; H526-Y539 PolarHBondContact CE1-OH 3.11Å; H526-Y539 AromaticContact CG-CD1 3.61Å; H526-Y539 AromaticContact CG-CE1 3.49Å; H526-Y539 VanDerWaalsContact CG-CE1 3.49Å; H526-Y539 AromaticContact CG-CZ 3.76Å; H526-Y539 AromaticContact ND1-CE1 3.71Å; H526-Y539 AromaticContact ND1-CE2 3.7Å; H526-Y539 AromaticContact ND1-CZ 3.46Å; H526-Y539 AromaticContact NE2-CE1 3.63Å; H526-Y539 AromaticContact NE2-CZ 3.8Å |
| 527 | F | 85.8 | Confident | 84.6 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136 | 163.7 | -75.3 | -93.5 | 0 | 0 | 0 | 110.6 | C523 R524 S525 H534 A752 | C523-F527 HydrophobicContact CB-CB 4.42Å; C523-F527 WeakPolarHBondContact CB-O 3.14Å; R524-F527 HydrophobicContact CB-CD2 4.11Å; R524-F527 PolarHBondContact O-N 2.8Å; R524-F527 VanDerWaalsContact O-N 3.15Å; S525-F527 VanDerWaalsContact C-N 3.26Å; S525-F527 PolarHBondContact O-N 3.41Å; F527-H534 CarbonylContact C-O 3.54Å; F527-H534 VanDerWaalsContact CA-O 3.3Å; F527-H534 WeakPolarHBondContact CA-O 3.29Å; F527-A752 HydrophobicContact CE2-CB 4.08Å; F527-A752 HydrophobicContact CZ-CB 3.73Å |
| 528 | T | 85.4 | Confident | 84.9 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | -179.7 | -176.7 | 33.2 | 0 | 0 | 0 | 0 | 111.9 | C532 D533 H534 D536 | T528-C532 CarbonylContact O-C 3.58Å; T528-C532 WeakPolarHBondContact O-CA 3.48Å; T528-D533 PolarHBondContact O-N 2.89Å; T528-H534 PolarHBondContact N-O 3.24Å; T528-H534 PolarHBondContact O-N 2.87Å; T528-D536 WeakPolarHBondContact CB-OD1 3.19Å; T528-D536 WeakPolarHBondContact CG2-OD1 2.83Å; T528-D536 PolarHBondContact OG1-OD1 2.77Å |
| 529 | G | 81.9 | Confident | 85.1 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 94.6 | 159.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q520 R531 C532 | Q520-G529 PolarHBondContact NE2-O 2.91Å; G529-R531 PolarHBondContact O-N 2.96Å; G529-R531 VanDerWaalsContact O-N 3.17Å; G529-C532 PolarHBondContact O-N 2.71Å |
| 530 | R | 86 | Confident | 85.2 | Confident | 64 Ų | 64 | 53.9 Ų | 53.9 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -37.2 | -178.6 | -165.9 | -162 | 64.8 | 70.4 | -6.3 | 112 | Y490 C502 D503 G519 Q520 C521 | Y490-R530 VanDerWaalsContact OH-CD 3.31Å; Y490-R530 WeakPolarHBondContact OH-CD 2.92Å; Y490-R530 PolarHBondContact OH-NE 3.1Å; C502-R530 PolarHBondContact O-NH1 2.8Å; C502-R530 PolarHBondContact O-NH2 3.39Å; D503-R530 PolarHBondContact O-NH2 3.24Å; G519-R530 VanDerWaalsContact O-CG 3.24Å; G519-R530 WeakPolarHBondContact O-CG 3.32Å; G519-R530 PolarHBondContact O-NH1 3.2Å; Q520-R530 PolarHBondContact NE2-O 3Å; C521-R530 WeakPolarHBondContact CB-O 2.82Å; C521-R530 PolarHBondContact N-O 3.03Å; C521-R530 PolarHBondContact SG-O 3.3Å |
| 531 | R | 87.3 | Confident | 85 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 28% | 0.279 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -8 | -178.4 | -52.8 | 177.8 | 69.7 | -131 | 8.9 | 113.2 | D503 D505 G529 D533 | D503-R531 VanDerWaalsContact O-CG 3.3Å; D503-R531 WeakPolarHBondContact O-CG 3.02Å; D503-R531 PolarHBondContact O-NE 3.18Å; D503-R531 IonicContact OD1-CZ 3.6Å; D503-R531 IonicContact OD1-NE 2.72Å; D503-R531 IonicContact OD1-NH2 3.72Å; D503-R531 PolarHBondContact OD1-NH2 2.66Å; D503-R531 IonicContact OD2-CZ 3.77Å; D503-R531 VanDerWaalsContact OD2-CZ 3.27Å; D503-R531 IonicContact OD2-NE 2.86Å; D503-R531 PolarHBondContact OD2-NE 3.44Å; D503-R531 IonicContact OD2-NH2 3.27Å; D503-R531 PolarHBondContact OD2-NH2 3.04Å; D505-R531 VanDerWaalsContact CB-O 3.23Å; D505-R531 WeakPolarHBondContact CB-O 3.46Å; D505-R531 PolarHBondContact N-O 2.67Å; G529-R531 PolarHBondContact O-N 2.96Å; G529-R531 VanDerWaalsContact O-N 3.17Å; R531-D533 HydrophobicContact CB-CB 4.42Å; R531-D533 IonicContact NH1-OD2 3.52Å; R531-D533 PolarHBondContact NH1-OD2 3.36Å |
| 532 | C | 87.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 66 | 33 | -170.4 | -43.2 | 0 | 0 | 0 | 0 | 114.5 | G508 A509 C523 T528 G529 | G508-C532 VanDerWaalsContact C-CB 3.45Å; G508-C532 VanDerWaalsContact CA-O 3.26Å; G508-C532 WeakPolarHBondContact CA-O 3.32Å; G508-C532 WeakPolarHBondContact O-CB 3.38Å; A509-C532 HydrophobicContact CB-CB 3.88Å; C523-C532 WeakPolarHBondContact CA-SG 3.39Å; C523-C532 HydrophobicContact CB-CB 3.53Å; C523-C532 WeakPolarHBondContact CB-SG 3.32Å; C523-C532 PolarHBondContact N-SG 2.85Å; C523-C532 VanDerWaalsContact SG-CA 3.57Å; C523-C532 WeakPolarHBondContact SG-CB 3.26Å; C523-C532 CovalentContact SG-SG 2.03Å; C523-C532 PolarHBondContact SG-SG 2.83Å; T528-C532 CarbonylContact O-C 3.58Å; T528-C532 WeakPolarHBondContact O-CA 3.48Å; G529-C532 PolarHBondContact O-N 2.71Å |
| 533 | D | 80.9 | Confident | 84.1 | Confident | 56 Ų | 56 | 44.2 Ų | 44.2 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | trans | -93.6 | -1.2 | -173.9 | 46.5 | 0.7 | 0 | 0 | 0 | 115.1 | D505 T528 R531 | D505-D533 HydrophobicContact CB-CB 4.06Å; T528-D533 PolarHBondContact O-N 2.89Å; R531-D533 HydrophobicContact CB-CB 4.42Å; R531-D533 IonicContact NH1-OD2 3.52Å; R531-D533 PolarHBondContact NH1-OD2 3.36Å | ||
| 534 | H | 84.2 | Confident | 83.7 | Confident | 114 Ų | 114 | 42.8 Ų | 42.8 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.2 | -176.3 | -64.6 | 75.2 | 0 | 0 | 0 | 111.4 | F527 T528 | F527-H534 CarbonylContact C-O 3.54Å; F527-H534 VanDerWaalsContact CA-O 3.3Å; F527-H534 WeakPolarHBondContact CA-O 3.29Å; T528-H534 PolarHBondContact N-O 3.24Å; T528-H534 PolarHBondContact O-N 2.87Å |
| 535 | P | 82 | Confident | 83.5 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 16% | 0.156 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 152.8 | 167.7 | 31.3 | -33.5 | 0 | 0 | 0 | 111.3 | H526 P775 | H526-P535 CarbonylContact O-C 3.5Å; H526-P535 VanDerWaalsContact O-CA 3.28Å; H526-P535 WeakPolarHBondContact O-CA 3.48Å; P535-P775 HydrophobicContact CG-CB 3.79Å |
| 536 | D | 83 | Confident | 83.3 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 150.4 | 177.3 | -76.2 | -5.3 | 0 | 0 | 0 | 112.8 | H526 T528 G538 Y539 | H526-D536 WeakPolarHBondContact CA-OD2 3.38Å; H526-D536 HydrophobicContact CB-CB 4.34Å; H526-D536 IonicContact ND1-OD2 2.87Å; H526-D536 PolarHBondContact O-N 2.73Å; T528-D536 WeakPolarHBondContact CB-OD1 3.19Å; T528-D536 WeakPolarHBondContact CG2-OD1 2.83Å; T528-D536 PolarHBondContact OG1-OD1 2.77Å; D536-G538 PolarHBondContact O-N 3.1Å; D536-Y539 HydrophobicContact CB-CD2 3.72Å; D536-Y539 HydrophobicContact CB-CE2 4.44Å; D536-Y539 HydrophobicContact CB-CG 4.36Å; D536-Y539 WeakPolarHBondContact O-CA 3.48Å; D536-Y539 WeakPolarHBondContact O-CB 3.45Å; D536-Y539 PolarHBondContact O-N 3.17Å |
| 537 | S | 80.7 | Confident | 83.2 | Confident | 118 Ų | 118 | 38.3 Ų | 38.3 | 83% | 0.825 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 121.7 | 173.2 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 538 | G | 81.7 | Confident | 83.3 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 25% | 0.247 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 0.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D536 C761 | D536-G538 PolarHBondContact O-N 3.1Å; G538-C761 PolarHBondContact O-N 3.11Å; G538-C761 PolarHBondContact O-SG 3.06Å |
| 539 | Y | 87.7 | Confident | 83.5 | Confident | 80 Ų | 80 | 37.8 Ų | 37.8 | 31% | 0.314 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 159.4 | 168.7 | -63 | -101.2 | 0 | 0 | 0 | 110.5 | H526 D536 V759 | H526-Y539 HydrophobicContact CB-CD1 3.81Å; H526-Y539 HydrophobicContact CB-CD2 4.3Å; H526-Y539 HydrophobicContact CB-CE1 4.21Å; H526-Y539 HydrophobicContact CB-CG 3.87Å; H526-Y539 AromaticContact CD2-CD1 3.8Å; H526-Y539 AromaticContact CD2-CE1 3.41Å; H526-Y539 VanDerWaalsContact CD2-CE1 3.41Å; H526-Y539 WeakPolarHBondContact CD2-CE1 3.12Å; H526-Y539 AromaticContact CD2-CZ 3.95Å; H526-Y539 AromaticContact CE1-CE1 3.76Å; H526-Y539 AromaticContact CE1-CZ 3.47Å; H526-Y539 VanDerWaalsContact CE1-CZ 3.47Å; H526-Y539 PolarHBondContact CE1-OH 3.11Å; H526-Y539 AromaticContact CG-CD1 3.61Å; H526-Y539 AromaticContact CG-CE1 3.49Å; H526-Y539 VanDerWaalsContact CG-CE1 3.49Å; H526-Y539 AromaticContact CG-CZ 3.76Å; H526-Y539 AromaticContact ND1-CE1 3.71Å; H526-Y539 AromaticContact ND1-CE2 3.7Å; H526-Y539 AromaticContact ND1-CZ 3.46Å; H526-Y539 AromaticContact NE2-CE1 3.63Å; H526-Y539 AromaticContact NE2-CZ 3.8Å; D536-Y539 HydrophobicContact CB-CD2 3.72Å; D536-Y539 HydrophobicContact CB-CE2 4.44Å; D536-Y539 HydrophobicContact CB-CG 4.36Å; D536-Y539 WeakPolarHBondContact O-CA 3.48Å; D536-Y539 WeakPolarHBondContact O-CB 3.45Å; D536-Y539 PolarHBondContact O-N 3.17Å; Y539-V759 CarbonylContact C-O 3.55Å; Y539-V759 WeakPolarHBondContact CA-O 3.48Å |
| 540 | F | 86.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 158.3 | 174.2 | 67.4 | -84.9 | 0 | 0 | 0 | 111.1 | A542 F546 V759 G760 C773 N774 G777 G778 | F540-A542 HydrophobicContact CE2-CB 4.47Å; F540-F546 HydrophobicContact CE2-CD2 4.15Å; F540-F546 HydrophobicContact CE2-CE2 4.05Å; F540-F546 HydrophobicContact CZ-CD2 4.22Å; F540-F546 AromaticContact CZ-CE2 3.67Å; F540-F546 HydrophobicContact CZ-CE2 3.67Å; F540-F546 HydrophobicContact CZ-CZ 4.23Å; F540-V759 HydrophobicContact CD1-CB 4.16Å; F540-V759 HydrophobicContact CD1-CG1 4.46Å; F540-V759 WeakPolarHBondContact CD1-O 3.48Å; F540-V759 HydrophobicContact CD2-CB 4.47Å; F540-V759 HydrophobicContact CE1-CB 3.75Å; F540-V759 HydrophobicContact CE1-CG1 3.61Å; F540-V759 HydrophobicContact CE2-CB 4.08Å; F540-V759 HydrophobicContact CE2-CG1 4.34Å; F540-V759 HydrophobicContact CZ-CB 3.7Å; F540-V759 HydrophobicContact CZ-CG1 3.53Å; F540-V759 PolarHBondContact N-O 2.94Å; F540-V759 PolarHBondContact O-N 2.86Å; F540-G760 WeakPolarHBondContact CE1-O 3.49Å; F540-C773 WeakPolarHBondContact CD1-SG 3.28Å; F540-N774 VanDerWaalsContact CB-O 3.29Å; F540-N774 WeakPolarHBondContact CB-O 3.02Å; F540-G777 VanDerWaalsContact CD2-C 3.48Å; F540-G778 VanDerWaalsContact CD1-CA 3.48Å |
| 541 | C | 82.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -84.3 | 120.4 | 168 | -154.5 | 0 | 0 | 0 | 0 | 109.2 | C748 P775 G777 | C541-C748 HydrophobicContact CB-CB 3.76Å; C541-C748 WeakPolarHBondContact CB-SG 3.24Å; C541-C748 VanDerWaalsContact SG-C 3.52Å; C541-C748 WeakPolarHBondContact SG-CA 3.45Å; C541-C748 WeakPolarHBondContact SG-CB 3.15Å; C541-C748 PolarHBondContact SG-O 2.66Å; C541-C748 CovalentContact SG-SG 2.03Å; C541-C748 PolarHBondContact SG-SG 3.21Å; C541-P775 PolarHBondContact N-O 2.94Å; C541-G777 PolarHBondContact O-N 2.79Å |
| 542 | A | 79.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 153.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F540 F546 A751 V755 V759 | F540-A542 HydrophobicContact CE2-CB 4.47Å; A542-F546 HydrophobicContact CB-CB 3.93Å; A542-F546 HydrophobicContact CB-CD1 3.85Å; A542-F546 HydrophobicContact CB-CD2 4.49Å; A542-F546 HydrophobicContact CB-CG 3.82Å; A542-A751 HydrophobicContact CB-CB 4.1Å; A542-A751 WeakPolarHBondContact O-CB 3.13Å; A542-V755 HydrophobicContact CB-CG2 4.16Å; A542-V759 HydrophobicContact CB-CG2 4.22Å |
| 543 | N | 77.7 | Confident | 84.1 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -92 | 170.2 | 168.7 | -163.5 | 19 | 0 | 0 | 0 | 110.5 | D545 F546 | N543-D545 VanDerWaalsContact C-N 3.28Å; N543-D545 WeakPolarHBondContact CB-OD1 3.45Å; N543-D545 PolarHBondContact ND2-OD1 2.79Å; N543-D545 PolarHBondContact O-N 3.2Å; N543-F546 WeakPolarHBondContact O-CB 3.04Å; N543-F546 PolarHBondContact O-N 3.38Å |
| 544 | L | 79 | Confident | 84.4 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -33.7 | 178.9 | -116.6 | 89.5 | 0 | 0 | 0 | 113.6 | F546 L698 Y721 R727 A730 M731 L747 V750 | L544-F546 VanDerWaalsContact C-N 3.31Å; L544-L698 HydrophobicContact CB-CD2 4.42Å; L544-L698 VanDerWaalsContact O-CD2 3.23Å; L544-L698 WeakPolarHBondContact O-CD2 3.1Å; L544-Y721 VanDerWaalsContact CD1-OH 3.29Å; L544-Y721 WeakPolarHBondContact CD1-OH 3.08Å; L544-Y721 VanDerWaalsContact CD2-OH 3.28Å; L544-Y721 WeakPolarHBondContact CD2-OH 3.48Å; L544-R727 HydrophobicContact CD2-CG 4.41Å; L544-A730 HydrophobicContact CB-CB 4.44Å; L544-M731 HydrophobicContact CB-CE 4.11Å; L544-L747 HydrophobicContact CD1-CD2 3.65Å; L544-V750 HydrophobicContact CD1-CG1 3.8Å |
| 545 | D | 80.6 | Confident | 84.7 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 16 | 178.2 | 60.2 | -20.2 | 0 | 0 | 0 | 113.9 | N543 L547 T548 R607 V696 M731 | N543-D545 VanDerWaalsContact C-N 3.28Å; N543-D545 WeakPolarHBondContact CB-OD1 3.45Å; N543-D545 PolarHBondContact ND2-OD1 2.79Å; N543-D545 PolarHBondContact O-N 3.2Å; D545-L547 PolarHBondContact O-N 2.84Å; D545-T548 PolarHBondContact O-N 2.03Å; D545-T548 PolarHBondContact O-OG1 2.85Å; D545-R607 IonicContact OD2-CZ 2.67Å; D545-R607 IonicContact OD2-NH1 3.5Å; D545-R607 IonicContact OD2-NH2 2.72Å; D545-R607 PolarHBondContact OD2-NH2 3.3Å; D545-V696 HydrophobicContact CB-CG1 3.72Å; D545-M731 HydrophobicContact CB-CE 3.67Å; D545-M731 HydrophobicContact CB-SD 4.26Å |
| 546 | F | 82.6 | Confident | 85 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | trans | -56.7 | -24.4 | -177.4 | 176.8 | -119.3 | 0 | 0 | 0 | 114.2 | F540 A542 N543 L544 T548 Y597 V759 | F540-F546 HydrophobicContact CE2-CD2 4.15Å; F540-F546 HydrophobicContact CE2-CE2 4.05Å; F540-F546 HydrophobicContact CZ-CD2 4.22Å; F540-F546 AromaticContact CZ-CE2 3.67Å; F540-F546 HydrophobicContact CZ-CE2 3.67Å; F540-F546 HydrophobicContact CZ-CZ 4.23Å; A542-F546 HydrophobicContact CB-CB 3.93Å; A542-F546 HydrophobicContact CB-CD1 3.85Å; A542-F546 HydrophobicContact CB-CD2 4.49Å; A542-F546 HydrophobicContact CB-CG 3.82Å; N543-F546 WeakPolarHBondContact O-CB 3.04Å; N543-F546 PolarHBondContact O-N 3.38Å; L544-F546 VanDerWaalsContact C-N 3.31Å; F546-T548 VanDerWaalsContact C-N 3.34Å; F546-T548 PolarHBondContact O-N 3.45Å; F546-Y597 HydrophobicContact CD1-CE2 4.35Å; F546-Y597 AromaticContact CE1-CE2 3.75Å; F546-Y597 HydrophobicContact CE1-CE2 3.75Å; F546-Y597 AromaticContact CE1-CZ 3.94Å; F546-Y597 WeakPolarHBondContact CE1-OH 3.41Å; F546-V759 HydrophobicContact CE1-CG1 4.29Å; F546-V759 HydrophobicContact CE1-CG2 4.19Å; F546-V759 HydrophobicContact CE2-CG1 4.39Å; F546-V759 HydrophobicContact CZ-CG1 3.72Å; F546-V759 HydrophobicContact CZ-CG2 4.38Å | ||
| 547 | L | 85.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -91.3 | 61.2 | 172.2 | -58.2 | 179.9 | 0 | 0 | 0 | 111.8 | D545 Y549 N595 I596 Y597 F602 V696 L697 | D545-L547 PolarHBondContact O-N 2.84Å; L547-Y549 HydrophobicContact CB-CE2 4.5Å; L547-Y549 WeakPolarHBondContact O-CE2 3.43Å; L547-N595 WeakPolarHBondContact CD2-ND2 3.47Å; L547-N595 VanDerWaalsContact CD2-O 3.27Å; L547-N595 WeakPolarHBondContact CD2-O 3.17Å; L547-I596 HydrophobicContact CD1-CD1 4.09Å; L547-Y597 HydrophobicContact CD2-CE2 4.29Å; L547-F602 HydrophobicContact CD1-CD1 4.28Å; L547-F602 HydrophobicContact CD1-CE1 3.6Å; L547-F602 HydrophobicContact CD1-CZ 4.23Å; L547-V696 WeakPolarHBondContact O-CA 3.31Å; L547-L697 HydrophobicContact CB-CB 3.9Å; L547-L697 HydrophobicContact CD1-CB 4.16Å; L547-L697 PolarHBondContact O-N 2.93Å |
| 548 | T | 87.4 | Confident | 85.3 | Confident | 37 Ų | 37 | 37.5 Ų | 37.5 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 142.8 | 175.1 | -66 | 0 | 0 | 0 | 0 | 111.2 | D545 F546 L695 V696 | D545-T548 PolarHBondContact O-N 2.03Å; D545-T548 PolarHBondContact O-OG1 2.85Å; F546-T548 VanDerWaalsContact C-N 3.34Å; F546-T548 PolarHBondContact O-N 3.45Å; T548-L695 CarbonylContact C-O 3.45Å; T548-L695 WeakPolarHBondContact CA-O 3.05Å; T548-V696 HydrophobicContact CG2-CG2 4.18Å; T548-V696 WeakPolarHBondContact OG1-CG2 3.36Å |
| 549 | Y | 90.3 | Very high | 85.5 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 118.6 | 176.6 | -53.2 | -90.7 | 0 | 0 | 0 | 109.8 | L547 F591 V593 N595 S694 L695 L697 | L547-Y549 HydrophobicContact CB-CE2 4.5Å; L547-Y549 WeakPolarHBondContact O-CE2 3.43Å; Y549-F591 WeakPolarHBondContact O-CE1 3.14Å; Y549-V593 HydrophobicContact CD2-CG2 4.24Å; Y549-V593 HydrophobicContact CE1-CB 4.46Å; Y549-V593 HydrophobicContact CE1-CG2 4.16Å; Y549-V593 HydrophobicContact CE2-CG2 3.82Å; Y549-N595 PolarHBondContact OH-OD1 2.87Å; Y549-S694 CarbonylContact O-C 3.55Å; Y549-S694 VanDerWaalsContact O-CA 3.27Å; Y549-S694 WeakPolarHBondContact O-CA 3.08Å; Y549-S694 WeakPolarHBondContact O-CB 3.47Å; Y549-L695 HydrophobicContact CD2-CD2 4.09Å; Y549-L695 WeakPolarHBondContact CD2-O 3.41Å; Y549-L695 PolarHBondContact N-O 2.03Å; Y549-L695 PolarHBondContact O-N 2.85Å; Y549-L697 HydrophobicContact CE2-CD1 3.9Å; Y549-L697 HydrophobicContact CE2-CG 4.17Å |
| 550 | E | 88.3 | Confident | 85.4 | Confident | 38 Ų | 38 | 36.9 Ų | 36.9 | 18% | 0.178 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 146.3 | -175 | -46.8 | -66.2 | -160.4 | 0 | 0 | 112.2 | E552 E553 T576 G577 S694 | E550-E552 HydrophobicContact CB-CG 4.14Å; E550-E553 HydrophobicContact CB-CG 4.35Å; E550-E553 PolarHBondContact O-N 3.35Å; E550-T576 WeakPolarHBondContact OE1-CB 3.27Å; E550-T576 PolarHBondContact OE1-OG1 3.29Å; E550-T576 VanDerWaalsContact OE2-CB 3.28Å; E550-T576 WeakPolarHBondContact OE2-CB 3.18Å; E550-T576 PolarHBondContact OE2-OG1 3.25Å; E550-G577 PolarHBondContact OE1-N 3.3Å; E550-S694 WeakPolarHBondContact OE2-CB 3.39Å |
| 551 | A | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -69.9 | -34 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E553 A554 V581 L589 F591 I692 D693 | A551-E553 PolarHBondContact O-N 3.38Å; A551-A554 WeakPolarHBondContact O-CB 3.45Å; A551-A554 PolarHBondContact O-N 3.48Å; A551-V581 HydrophobicContact CB-CB 4.04Å; A551-V581 HydrophobicContact CB-CG2 3.77Å; A551-V581 WeakPolarHBondContact O-CG2 3.26Å; A551-L589 HydrophobicContact CB-CD1 4.35Å; A551-F591 HydrophobicContact CB-CZ 4.35Å; A551-I692 HydrophobicContact CB-CB 4.16Å; A551-I692 HydrophobicContact CB-CG2 4Å; A551-I692 WeakPolarHBondContact CB-O 3.18Å; A551-D693 WeakPolarHBondContact CB-O 3.19Å; A551-D693 PolarHBondContact N-O 2.78Å |
| 552 | E | 87 | Confident | 85.5 | Confident | 27 Ų | 27 | 46 Ų | 46 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -65.7 | -22.2 | 177 | 51.7 | -97.2 | -120.9 | 0 | 0 | 113.6 | E550 I562 P578 G579 V581 | E550-E552 HydrophobicContact CB-CG 4.14Å; E552-I562 HydrophobicContact CB-CG2 4.42Å; E552-P578 HydrophobicContact CG-CG 3.99Å; E552-P578 WeakPolarHBondContact OE1-CD 3.08Å; E552-P578 VanDerWaalsContact OE1-CG 3.28Å; E552-P578 WeakPolarHBondContact OE1-CG 3.02Å; E552-P578 VanDerWaalsContact OE1-N 3.14Å; E552-G579 PolarHBondContact OE1-N 3.13Å; E552-G579 VanDerWaalsContact OE1-N 3.09Å; E552-V581 HydrophobicContact CB-CG2 4.39Å |
| 553 | E | 87.2 | Confident | 85.7 | Confident | 155 Ų | 155 | 47.7 Ų | 47.7 | 72% | 0.724 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -86.6 | -14.7 | 172.5 | -62 | -169 | 170.7 | 0 | 0 | 112.8 | E550 A551 | E550-E553 HydrophobicContact CB-CG 4.35Å; E550-E553 PolarHBondContact O-N 3.35Å; A551-E553 PolarHBondContact O-N 3.38Å |
| 554 | A | 88.5 | Confident | 85.7 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -67.2 | 146.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | A551 L556 L589 F591 | A551-A554 WeakPolarHBondContact O-CB 3.45Å; A551-A554 PolarHBondContact O-N 3.48Å; A554-L556 HydrophobicContact CB-CD2 4.5Å; A554-L556 VanDerWaalsContact O-CD2 3.31Å; A554-L556 WeakPolarHBondContact O-CD2 3.43Å; A554-L556 WeakPolarHBondContact O-CG 3.3Å; A554-L556 PolarHBondContact O-N 3.02Å; A554-L589 HydrophobicContact CB-CB 4.11Å; A554-F591 HydrophobicContact CB-CD1 3.98Å; A554-F591 HydrophobicContact CB-CD2 4.45Å; A554-F591 HydrophobicContact CB-CE1 3.97Å; A554-F591 HydrophobicContact CB-CE2 4.42Å; A554-F591 HydrophobicContact CB-CG 4.24Å; A554-F591 HydrophobicContact CB-CZ 4.19Å |
| 555 | N | 89.2 | Confident | 85.5 | Confident | 94 Ų | 94 | 56 Ų | 56 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | trans | -72.1 | 102.4 | 175.7 | -177.7 | -11.8 | 0 | 0 | 0 | 109.7 | N590 | N555-N590 HydrophobicContact CB-CB 4.28Å; N555-N590 PolarHBondContact N-O 3.03Å; N555-N590 PolarHBondContact O-N 3.08Å | ||
| 556 | L | 89.5 | Confident | 85 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | trans | -74.3 | 126.3 | -173.6 | -52.6 | -170.7 | 0 | 0 | 0 | 112 | A554 I562 V581 L589 | A554-L556 HydrophobicContact CB-CD2 4.5Å; A554-L556 VanDerWaalsContact O-CD2 3.31Å; A554-L556 WeakPolarHBondContact O-CD2 3.43Å; A554-L556 WeakPolarHBondContact O-CG 3.3Å; A554-L556 PolarHBondContact O-N 3.02Å; L556-I562 HydrophobicContact CD1-CD1 4.19Å; L556-I562 HydrophobicContact CD1-CG1 3.78Å; L556-V581 HydrophobicContact CD1-CG1 4.34Å; L556-V581 HydrophobicContact CD1-CG2 4.39Å; L556-V581 HydrophobicContact CD2-CG1 3.98Å; L556-V581 HydrophobicContact CD2-CG2 3.97Å; L556-L589 HydrophobicContact CD2-CD2 3.38Å | ||
| 557 | Q | 86.6 | Confident | 84.1 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -131.3 | 139.8 | 175.5 | -61.8 | 179 | 4.4 | 0 | 0 | 110.8 | S587 V588 | Q557-S587 CarbonylContact O-C 3.58Å; Q557-S587 WeakPolarHBondContact O-CA 3.3Å; Q557-V588 HydrophobicContact CB-CB 4.18Å; Q557-V588 PolarHBondContact N-O 2.88Å; Q557-V588 PolarHBondContact O-N 3.1Å |
| 558 | G | 83.6 | Confident | 83 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 58% | 0.577 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 85 | -162 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S560 | G558-S560 PolarHBondContact O-N 2.96Š|
| 559 | P | 84.9 | Confident | 81.3 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -80.3 | 60.1 | -171.9 | 32.9 | -36.3 | 0 | 0 | 0 | 113.3 | R584 E585 S587 | P559-R584 HydrophobicContact CB-CB 4.26Å; P559-R584 HydrophobicContact CG-CB 4.04Å; P559-R584 WeakPolarHBondContact O-CB 3.31Å; P559-R584 VanDerWaalsContact O-CG 3.3Å; P559-R584 WeakPolarHBondContact O-CG 3.42Å; P559-E585 WeakPolarHBondContact CG-O 3.21Å; P559-S587 VanDerWaalsContact C-OG 3.3Å; P559-S587 PolarHBondContact O-OG 2.95Å |
| 560 | S | 85.7 | Confident | 79.5 | Confident | 25 Ų | 25 | 77.4 Ų | 77.4 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | trans | -110 | 147.1 | 177 | 43.2 | 0 | 0 | 0 | 0 | 112.5 | G558 R582 S587 | G558-S560 PolarHBondContact O-N 2.96Å; S560-R582 VanDerWaalsContact CA-O 3.29Å; S560-R582 WeakPolarHBondContact CA-O 3.23Å; S560-S587 PolarHBondContact N-OG 3.04Å | ||
| 561 | E | 86.5 | Confident | 77.8 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 139.4 | -176.9 | -176 | 170.3 | -163.6 | 0 | 0 | 110.1 | R582 R584 | E561-R582 PolarHBondContact N-O 3.42Å; E561-R582 PolarHBondContact O-N 3.08Å; E561-R584 IonicContact OE2-NH2 3.33Å |
| 562 | I | 85.5 | Confident | 76.2 | Confident | 83 Ų | 83 | 84.2 Ų | 84.2 | 43% | 0.426 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125 | 175.9 | -60.5 | 175.1 | 0 | 0 | 0 | 108.3 | E552 L556 L564 | E552-I562 HydrophobicContact CB-CG2 4.42Å; L556-I562 HydrophobicContact CD1-CD1 4.19Å; L556-I562 HydrophobicContact CD1-CG1 3.78Å; I562-L564 HydrophobicContact CG2-CD2 4.19Å; I562-L564 HydrophobicContact CG2-CG 4.5Å |
| 563 | E | 82.6 | Confident | 74.9 | Confident | 40 Ų | 40 | 90.3 Ų | 90.3 | 19% | 0.187 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 94 | -179.6 | -173.9 | 165.5 | 137.5 | 0 | 0 | 110.4 | R565 G579 F580 R582 | E563-R565 IonicContact OE1-CZ 2.7Å; E563-R565 IonicContact OE1-NE 3.08Å; E563-R565 PolarHBondContact OE1-NE 2.78Å; E563-R565 IonicContact OE1-NH2 2.96Å; E563-R565 PolarHBondContact OE1-NH2 2.03Å; E563-G579 WeakPolarHBondContact O-CA 3.39Å; E563-F580 PolarHBondContact N-O 2.77Å; E563-F580 PolarHBondContact O-N 2.75Å; E563-F580 VanDerWaalsContact O-N 3.13Å; E563-R582 VanDerWaalsContact CD-NH2 3.33Å; E563-R582 IonicContact OE1-NH2 2.63Å; E563-R582 PolarHBondContact OE1-NH2 3.14Å; E563-R582 IonicContact OE2-CZ 3.52Å; E563-R582 IonicContact OE2-NE 3.53Å; E563-R582 PolarHBondContact OE2-NE 2.91Å; E563-R582 IonicContact OE2-NH2 3.09Å; E563-R582 PolarHBondContact OE2-NH2 2.83Å |
| 564 | L | 78.2 | Confident | 74.1 | Confident | 90 Ų | 90 | 88.4 Ų | 88.4 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 138.2 | 176.5 | -64.9 | 178.6 | 0 | 0 | 0 | 111.2 | I562 P578 | I562-L564 HydrophobicContact CG2-CD2 4.19Å; I562-L564 HydrophobicContact CG2-CG 4.5Å; L564-P578 HydrophobicContact CD2-CB 4.2Å |
| 565 | R | 75 | Confident | 73.5 | Confident | 110 Ų | 110 | 90.9 Ų | 90.9 | 42% | 0.415 | 48% | 0.476 | S | S | . | . | trans | -121.2 | 131.2 | 176.9 | -68.9 | -66.2 | -179 | 141.8 | -6.8 | 110.8 | E563 W575 P578 F580 S796 | E563-R565 IonicContact OE1-CZ 2.7Å; E563-R565 IonicContact OE1-NE 3.08Å; E563-R565 PolarHBondContact OE1-NE 2.78Å; E563-R565 IonicContact OE1-NH2 2.96Å; E563-R565 PolarHBondContact OE1-NH2 2.03Å; R565-W575 HydrophobicContact CB-CH2 4.19Å; R565-W575 HydrophobicContact CB-CZ2 3.7Å; R565-P578 PolarHBondContact N-O 2.85Å; R565-F580 HydrophobicContact CG-CD2 4.33Å; R565-F580 HydrophobicContact CG-CE2 4.5Å; R565-S796 WeakPolarHBondContact O-CB 3.05Å; R565-S796 PolarHBondContact O-OG 3.49Å | ||
| 566 | E | 69.7 | Low | 73 | Confident | 71 Ų | 71 | 87.7 Ų | 87.7 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | trans | -68.7 | 126.2 | 167.4 | -66.3 | -177.3 | 156 | 0 | 0 | 108.4 | Y568 N819 F820 | E566-Y568 PolarHBondContact O-N 3.17Å; E566-N819 PolarHBondContact OE1-ND2 3.48Å; E566-F820 HydrophobicContact CG-CE1 4.25Å | ||
| 567 | P | 63.5 | Low | 72.2 | Confident | 62 Ų | 62 | 86.5 Ų | 86.5 | 40% | 0.403 | 46% | 0.46 | S | S | . | . | trans | -72.1 | 110.7 | 175.5 | 28 | -31.9 | 0 | 0 | 0 | 109.9 | A795 | P567-A795 HydrophobicContact CG-CB 3.68Š| ||
| 568 | Y | 62.4 | Low | 71.6 | Confident | 194 Ų | 194 | 83.1 Ų | 83.1 | 76% | 0.761 | 45% | 0.446 | S | S | * | . | trans | -79.2 | 134.4 | 174.4 | -115 | -99.9 | 0 | 0 | 0 | 111 | E566 | E566-Y568 PolarHBondContact O-N 3.17Š| ||
| 569 | D | 50.8 | Low | 71.4 | Confident | 171 Ų | 171 | 80.4 Ų | 80.4 | 91% | 0.914 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 127.2 | 176.9 | -153.4 | 1.4 | 0 | 0 | 0 | 110.3 | ||
| 570 | G | 53.9 | Low | 71.6 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 81% | 0.814 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.7 | -5.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 571 | D | 52.1 | Low | 71.8 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -106.1 | 148.2 | 172 | -155.5 | -8 | 0 | 0 | 0 | 110.8 | K573 R574 | D571-K573 PolarHBondContact O-N 2.78Å; D571-R574 IonicContact OD1-NH2 2.56Å; D571-R574 PolarHBondContact OD1-NH2 3.34Å; D571-R574 IonicContact OD2-CZ 3.75Å; D571-R574 IonicContact OD2-NH2 2.91Å; D571-R574 PolarHBondContact OD2-NH2 2.67Å |
| 572 | T | 57.2 | Low | 71.9 | Confident | 80 Ų | 80 | 73.5 Ų | 73.5 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | trans | -66.4 | 118.3 | -179.3 | 42.5 | 0 | 0 | 0 | 0 | 110 | R574 | T572-R574 WeakPolarHBondContact O-CG 3.34Å; T572-R574 PolarHBondContact O-N 3.29Å | ||
| 573 | K | 60 | Low | 72.1 | Confident | 155 Ų | 155 | 69.5 Ų | 69.5 | 67% | 0.674 | 36% | 0.355 | S | S | * | . | trans | -47.9 | 122.9 | 177.9 | -76.4 | -171 | 176.6 | -175.9 | 0 | 110.3 | D571 | D571-K573 PolarHBondContact O-N 2.78Š| ||
| 574 | R | 70.1 | Confident | 72.3 | Confident | 116 Ų | 116 | 71.8 Ų | 71.8 | 44% | 0.438 | 36% | 0.362 | S | S | . | . | trans | -105.4 | -5.5 | -174.8 | -52.9 | -173.4 | -178.5 | 172.4 | 9.9 | 113.7 | D571 T572 | D571-R574 IonicContact OD1-NH2 2.56Å; D571-R574 PolarHBondContact OD1-NH2 3.34Å; D571-R574 IonicContact OD2-CZ 3.75Å; D571-R574 IonicContact OD2-NH2 2.91Å; D571-R574 PolarHBondContact OD2-NH2 2.67Å; T572-R574 WeakPolarHBondContact O-CG 3.34Å; T572-R574 PolarHBondContact O-N 3.29Å | ||
| 575 | W | 77.6 | Confident | 72.6 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | trans | -140.5 | 157 | -175.3 | 71.9 | 96.7 | 0 | 0 | 0 | 109.8 | R565 G577 F580 D693 | R565-W575 HydrophobicContact CB-CH2 4.19Å; R565-W575 HydrophobicContact CB-CZ2 3.7Å; W575-G577 PolarHBondContact NE1-O 2.71Å; W575-F580 HydrophobicContact CB-CE1 3.86Å; W575-F580 HydrophobicContact CB-CE2 3.92Å; W575-F580 HydrophobicContact CB-CZ 3.53Å; W575-F580 HydrophobicContact CD2-CE2 4.2Å; W575-F580 HydrophobicContact CE3-CE2 4.3Å; W575-F580 HydrophobicContact CG-CE2 4.04Å; W575-F580 HydrophobicContact CG-CZ 4.15Å; W575-D693 WeakPolarHBondContact CA-OD1 3.39Å; W575-D693 WeakPolarHBondContact CB-OD1 3.05Å | ||
| 576 | T | 76.9 | Confident | 73.1 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 17% | 0.172 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -102 | 160.5 | 168.7 | 52.7 | 0 | 0 | 0 | 0 | 108.9 | E550 D693 S694 L733 | E550-T576 WeakPolarHBondContact OE1-CB 3.27Å; E550-T576 PolarHBondContact OE1-OG1 3.29Å; E550-T576 VanDerWaalsContact OE2-CB 3.28Å; E550-T576 WeakPolarHBondContact OE2-CB 3.18Å; E550-T576 PolarHBondContact OE2-OG1 3.25Å; T576-D693 PolarHBondContact N-OD1 2.85Å; T576-D693 PolarHBondContact OG1-OD2 2.9Å; T576-S694 PolarHBondContact OG1-OG 2.86Å; T576-L733 HydrophobicContact CG2-CD1 3.96Å; T576-L733 HydrophobicContact CG2-CD2 3.92Å |
| 577 | G | 73.1 | Confident | 74.1 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 69.4 | -174.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | E550 W575 G579 | E550-G577 PolarHBondContact OE1-N 3.3Å; W575-G577 PolarHBondContact NE1-O 2.71Å; G577-G579 VanDerWaalsContact C-N 3.32Å; G577-G579 PolarHBondContact O-N 3.48Å |
| 578 | P | 74.2 | Confident | 75.5 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -69.4 | -10.8 | 176.7 | 25.5 | -36.4 | 0 | 0 | 0 | 116.8 | E552 L564 R565 I787 | E552-P578 HydrophobicContact CG-CG 3.99Å; E552-P578 WeakPolarHBondContact OE1-CD 3.08Å; E552-P578 VanDerWaalsContact OE1-CG 3.28Å; E552-P578 WeakPolarHBondContact OE1-CG 3.02Å; E552-P578 VanDerWaalsContact OE1-N 3.14Å; L564-P578 HydrophobicContact CD2-CB 4.2Å; R565-P578 PolarHBondContact N-O 2.85Å; P578-I787 HydrophobicContact CB-CD1 4Å |
| 579 | G | 79.6 | Confident | 77 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -129.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E552 E563 G577 | E552-G579 PolarHBondContact OE1-N 3.13Å; E552-G579 VanDerWaalsContact OE1-N 3.09Å; E563-G579 WeakPolarHBondContact O-CA 3.39Å; G577-G579 VanDerWaalsContact C-N 3.32Å; G577-G579 PolarHBondContact O-N 3.48Å |
| 580 | F | 88.3 | Confident | 79.1 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.022 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 162.6 | 175.7 | -63.8 | -93.9 | 0 | 0 | 0 | 110.1 | E563 R565 W575 E609 L691 I692 D693 | E563-F580 PolarHBondContact N-O 2.77Å; E563-F580 PolarHBondContact O-N 2.75Å; E563-F580 VanDerWaalsContact O-N 3.13Å; R565-F580 HydrophobicContact CG-CD2 4.33Å; R565-F580 HydrophobicContact CG-CE2 4.5Å; W575-F580 HydrophobicContact CB-CE1 3.86Å; W575-F580 HydrophobicContact CB-CE2 3.92Å; W575-F580 HydrophobicContact CB-CZ 3.53Å; W575-F580 HydrophobicContact CD2-CE2 4.2Å; W575-F580 HydrophobicContact CE3-CE2 4.3Å; W575-F580 HydrophobicContact CG-CE2 4.04Å; W575-F580 HydrophobicContact CG-CZ 4.15Å; F580-E609 HydrophobicContact CE1-CB 4.33Å; F580-E609 HydrophobicContact CE1-CG 4.02Å; F580-E609 HydrophobicContact CZ-CG 4.1Å; F580-L691 HydrophobicContact CB-CB 3.89Å; F580-L691 HydrophobicContact CB-CD1 4.49Å; F580-L691 HydrophobicContact CB-CD2 4.16Å; F580-L691 HydrophobicContact CB-CG 4.4Å; F580-L691 HydrophobicContact CD1-CB 3.74Å; F580-L691 HydrophobicContact CD2-CD1 4.1Å; F580-L691 HydrophobicContact CE1-CB 4.33Å; F580-L691 HydrophobicContact CE2-CD1 4.4Å; F580-L691 HydrophobicContact CG-CB 3.85Å; F580-L691 HydrophobicContact CG-CD1 4.19Å; F580-L691 HydrophobicContact CG-CG 4.47Å; F580-I692 WeakPolarHBondContact CA-O 3.33Å; F580-D693 HydrophobicContact CD1-CB 3.98Å; F580-D693 HydrophobicContact CE1-CB 3.95Å |
| 581 | V | 90.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.5 | 160.4 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | A551 E552 L556 V583 L589 I692 | A551-V581 HydrophobicContact CB-CB 4.04Å; A551-V581 HydrophobicContact CB-CG2 3.77Å; A551-V581 WeakPolarHBondContact O-CG2 3.26Å; E552-V581 HydrophobicContact CB-CG2 4.39Å; L556-V581 HydrophobicContact CD1-CG1 4.34Å; L556-V581 HydrophobicContact CD1-CG2 4.39Å; L556-V581 HydrophobicContact CD2-CG1 3.98Å; L556-V581 HydrophobicContact CD2-CG2 3.97Å; V581-V583 HydrophobicContact CG1-CG1 4.05Å; V581-V583 PolarHBondContact O-N 2.61Å; V581-L589 HydrophobicContact CB-CD2 4.49Å; V581-L589 HydrophobicContact CG1-CD2 3.88Å; V581-I692 PolarHBondContact N-O 3.41Å; V581-I692 PolarHBondContact O-N 2.85Å |
| 582 | R | 89.5 | Confident | 82.8 | Confident | 53 Ų | 53 | 38.7 Ų | 38.7 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 102.4 | 169.1 | -175.4 | 175.7 | -69.5 | -84.7 | -2.2 | 109.4 | S560 E561 E563 S689 M690 L691 | S560-R582 VanDerWaalsContact CA-O 3.29Å; S560-R582 WeakPolarHBondContact CA-O 3.23Å; E561-R582 PolarHBondContact N-O 3.42Å; E561-R582 PolarHBondContact O-N 3.08Å; E563-R582 VanDerWaalsContact CD-NH2 3.33Å; E563-R582 IonicContact OE1-NH2 2.63Å; E563-R582 PolarHBondContact OE1-NH2 3.14Å; E563-R582 IonicContact OE2-CZ 3.52Å; E563-R582 IonicContact OE2-NE 3.53Å; E563-R582 PolarHBondContact OE2-NE 2.91Å; E563-R582 IonicContact OE2-NH2 3.09Å; E563-R582 PolarHBondContact OE2-NH2 2.83Å; R582-S689 PolarHBondContact NH1-OG 2.73Å; R582-M690 CarbonylContact C-O 3.52Å; R582-M690 WeakPolarHBondContact CA-O 3.19Å; R582-L691 HydrophobicContact CB-CD2 3.8Å; R582-L691 HydrophobicContact CG-CD2 4.18Å |
| 583 | V | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 147.7 | 173.7 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | V581 L589 F676 S689 M690 I692 | V581-V583 HydrophobicContact CG1-CG1 4.05Å; V581-V583 PolarHBondContact O-N 2.61Å; V583-L589 HydrophobicContact CG1-CD1 4.08Å; V583-L589 HydrophobicContact CG1-CD2 4.06Å; V583-L589 HydrophobicContact CG1-CG 4.18Å; V583-F676 HydrophobicContact CB-CD2 4.17Å; V583-F676 HydrophobicContact CB-CG 4.22Å; V583-F676 HydrophobicContact CG1-CD2 4.01Å; V583-F676 HydrophobicContact CG1-CE2 4Å; V583-F676 HydrophobicContact CG2-CD1 3.87Å; V583-F676 HydrophobicContact CG2-CD2 4.24Å; V583-F676 HydrophobicContact CG2-CE1 4.05Å; V583-F676 HydrophobicContact CG2-CE2 4.41Å; V583-F676 HydrophobicContact CG2-CG 3.98Å; V583-F676 HydrophobicContact CG2-CZ 4.32Å; V583-S689 WeakPolarHBondContact O-CA 3.49Å; V583-S689 WeakPolarHBondContact O-CB 3.15Å; V583-M690 HydrophobicContact CG2-CB 3.93Å; V583-M690 WeakPolarHBondContact CG2-O 3.39Å; V583-M690 PolarHBondContact N-O 3.36Å; V583-M690 PolarHBondContact O-N 2.86Å; V583-I692 HydrophobicContact CB-CG1 4.49Å; V583-I692 HydrophobicContact CG1-CG1 3.85Å; V583-I692 HydrophobicContact CG2-CD1 4.1Å; V583-I692 HydrophobicContact CG2-CG1 3.78Å |
| 584 | R | 87 | Confident | 85.5 | Confident | 88 Ų | 88 | 35.2 Ų | 35.2 | 33% | 0.332 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 178.3 | 171.8 | -55.2 | -174.1 | -164 | -145.8 | 7.4 | 109.8 | P559 E561 G586 S587 R686 | P559-R584 HydrophobicContact CB-CB 4.26Å; P559-R584 HydrophobicContact CG-CB 4.04Å; P559-R584 WeakPolarHBondContact O-CB 3.31Å; P559-R584 VanDerWaalsContact O-CG 3.3Å; P559-R584 WeakPolarHBondContact O-CG 3.42Å; E561-R584 IonicContact OE2-NH2 3.33Å; R584-G586 PolarHBondContact O-N 3.05Å; R584-S587 PolarHBondContact N-OG 3.37Å; R584-S587 VanDerWaalsContact O-CB 3.28Å; R584-S587 WeakPolarHBondContact O-CB 3.38Å; R584-S587 PolarHBondContact O-N 2.88Å; R584-S587 PolarHBondContact O-OG 3.03Å; R584-R686 PolarHBondContact NH1-O 2.78Å |
| 585 | E | 84.5 | Confident | 86.2 | Confident | 40 Ų | 40 | 32.8 Ų | 32.8 | 19% | 0.187 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 124.7 | 174.1 | -65.1 | -169.8 | 126.8 | 0 | 0 | 111.5 | P559 W616 Y679 S684 D685 | P559-E585 WeakPolarHBondContact CG-O 3.21Å; E585-W616 HydrophobicContact CG-CH2 4.3Å; E585-W616 HydrophobicContact CG-CZ2 4.14Å; E585-Y679 WeakPolarHBondContact OE1-CB 3.21Å; E585-Y679 PolarHBondContact OE1-N 3.34Å; E585-S684 WeakPolarHBondContact OE2-CA 3.45Å; E585-S684 PolarHBondContact OE2-OG 3.04Å; E585-S684 VanDerWaalsContact OE2-OG 3.12Å; E585-D685 PolarHBondContact OE2-N 3.38Å |
| 586 | G | 85.7 | Confident | 86.6 | Confident | 42 Ų | 42 | 30.5 Ų | 30.5 | 43% | 0.433 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 1.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R584 F676 | R584-G586 PolarHBondContact O-N 3.05Å; G586-F676 PolarHBondContact N-O 2.94Å |
| 587 | S | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 146.5 | 170.8 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | Q557 P559 S560 R584 F676 | Q557-S587 CarbonylContact O-C 3.58Å; Q557-S587 WeakPolarHBondContact O-CA 3.3Å; P559-S587 VanDerWaalsContact C-OG 3.3Å; P559-S587 PolarHBondContact O-OG 2.95Å; S560-S587 PolarHBondContact N-OG 3.04Å; R584-S587 PolarHBondContact N-OG 3.37Å; R584-S587 VanDerWaalsContact O-CB 3.28Å; R584-S587 WeakPolarHBondContact O-CB 3.38Å; R584-S587 PolarHBondContact O-N 2.88Å; R584-S587 PolarHBondContact O-OG 3.03Å; S587-F676 PolarHBondContact O-N 3.25Å |
| 588 | V | 92.6 | Very high | 87.4 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128 | 175 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | Q557 R673 V674 A675 | Q557-V588 HydrophobicContact CB-CB 4.18Å; Q557-V588 PolarHBondContact N-O 2.88Å; Q557-V588 PolarHBondContact O-N 3.1Å; V588-R673 HydrophobicContact CG1-CG 3.61Å; V588-V674 CarbonylContact C-O 3.48Å; V588-V674 VanDerWaalsContact CA-O 3.31Å; V588-V674 WeakPolarHBondContact CA-O 3.46Å; V588-A675 HydrophobicContact CG2-CB 3.94Å |
| 589 | L | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 137.5 | 172.3 | -51.8 | 179.9 | 0 | 0 | 0 | 108.3 | A551 A554 L556 V581 V583 F591 R673 V674 F676 I692 | A551-L589 HydrophobicContact CB-CD1 4.35Å; A554-L589 HydrophobicContact CB-CB 4.11Å; L556-L589 HydrophobicContact CD2-CD2 3.38Å; V581-L589 HydrophobicContact CB-CD2 4.49Å; V581-L589 HydrophobicContact CG1-CD2 3.88Å; V583-L589 HydrophobicContact CG1-CD1 4.08Å; V583-L589 HydrophobicContact CG1-CD2 4.06Å; V583-L589 HydrophobicContact CG1-CG 4.18Å; L589-F591 HydrophobicContact CB-CD2 4.42Å; L589-F591 HydrophobicContact CB-CE2 3.75Å; L589-F591 HydrophobicContact CB-CZ 4.28Å; L589-F591 HydrophobicContact CD1-CE2 4.28Å; L589-F591 HydrophobicContact CD1-CZ 4.18Å; L589-R673 CarbonylContact O-C 3.52Å; L589-R673 WeakPolarHBondContact O-CA 3.48Å; L589-V674 HydrophobicContact CB-CB 4.46Å; L589-V674 PolarHBondContact N-O 2.8Å; L589-V674 PolarHBondContact O-N 3.23Å; L589-F676 HydrophobicContact CD1-CE2 3.88Å; L589-F676 HydrophobicContact CD1-CZ 4.37Å; L589-F676 HydrophobicContact CG-CE2 3.95Å; L589-I692 HydrophobicContact CD1-CB 3.92Å; L589-I692 HydrophobicContact CD1-CG1 3.99Å; L589-I692 HydrophobicContact CD1-CG2 3.83Å |
| 590 | N | 93.6 | Very high | 88.4 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 16% | 0.155 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 103.8 | 178.1 | 180 | 25.7 | 0 | 0 | 0 | 110 | N555 | N555-N590 HydrophobicContact CB-CB 4.28Å; N555-N590 PolarHBondContact N-O 3.03Å; N555-N590 PolarHBondContact O-N 3.08Å |
| 591 | F | 93 | Very high | 88.4 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 142 | -179.8 | -61.1 | -93 | 0 | 0 | 0 | 110.4 | Y549 A551 A554 L589 H671 I672 V674 L695 | Y549-F591 WeakPolarHBondContact O-CE1 3.14Å; A551-F591 HydrophobicContact CB-CZ 4.35Å; A554-F591 HydrophobicContact CB-CD1 3.98Å; A554-F591 HydrophobicContact CB-CD2 4.45Å; A554-F591 HydrophobicContact CB-CE1 3.97Å; A554-F591 HydrophobicContact CB-CE2 4.42Å; A554-F591 HydrophobicContact CB-CG 4.24Å; A554-F591 HydrophobicContact CB-CZ 4.19Å; L589-F591 HydrophobicContact CB-CD2 4.42Å; L589-F591 HydrophobicContact CB-CE2 3.75Å; L589-F591 HydrophobicContact CB-CZ 4.28Å; L589-F591 HydrophobicContact CD1-CE2 4.28Å; L589-F591 HydrophobicContact CD1-CZ 4.18Å; F591-H671 WeakPolarHBondContact O-CA 3.43Å; F591-I672 HydrophobicContact CB-CB 4.49Å; F591-I672 PolarHBondContact N-O 3.09Å; F591-I672 PolarHBondContact O-N 2.79Å; F591-V674 HydrophobicContact CD2-CG2 3.87Å; F591-V674 HydrophobicContact CE2-CB 4.44Å; F591-V674 HydrophobicContact CE2-CG2 3.64Å; F591-L695 HydrophobicContact CD1-CB 3.99Å; F591-L695 HydrophobicContact CD2-CB 4.22Å; F591-L695 HydrophobicContact CD2-CD1 3.82Å; F591-L695 HydrophobicContact CE1-CB 3.89Å; F591-L695 HydrophobicContact CE2-CB 4.14Å; F591-L695 HydrophobicContact CE2-CD1 4.12Å; F591-L695 HydrophobicContact CG-CB 4.15Å; F591-L695 HydrophobicContact CG-CD1 4.25Å; F591-L695 HydrophobicContact CZ-CB 3.97Å |
| 592 | V | 90.6 | Very high | 88.3 | Confident | 53 Ų | 53 | 38.6 Ų | 38.6 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 104.8 | -178 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | R594 Q669 | V592-R594 HydrophobicContact CG1-CG 4.35Å; V592-Q669 HydrophobicContact CG1-CG 3.86Å |
| 593 | V | 88.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.5 | -175 | 169.5 | 0 | 0 | 0 | 0 | 109.4 | Y549 I596 Q669 Y670 I672 L697 | Y549-V593 HydrophobicContact CD2-CG2 4.24Å; Y549-V593 HydrophobicContact CE1-CB 4.46Å; Y549-V593 HydrophobicContact CE1-CG2 4.16Å; Y549-V593 HydrophobicContact CE2-CG2 3.82Å; V593-I596 HydrophobicContact CG1-CD1 4.01Å; V593-I596 HydrophobicContact CG1-CG1 4.23Å; V593-Q669 CarbonylContact O-C 3.56Å; V593-Q669 VanDerWaalsContact O-CA 3.32Å; V593-Q669 WeakPolarHBondContact O-CA 3.48Å; V593-Y670 HydrophobicContact CG1-CD2 4.23Å; V593-Y670 PolarHBondContact N-O 3.41Å; V593-Y670 PolarHBondContact O-N 2.84Å; V593-I672 HydrophobicContact CG2-CD1 3.73Å; V593-I672 HydrophobicContact CG2-CG1 3.99Å; V593-L697 HydrophobicContact CG1-CD1 3.74Å; V593-L697 HydrophobicContact CG2-CD1 4.18Å |
| 594 | R | 86.4 | Confident | 88.3 | Confident | 162 Ų | 162 | 37.6 Ų | 37.6 | 61% | 0.611 | 19% | 0.188 | S | C | * | . | trans | -134.8 | -20.2 | -173.9 | -70.6 | 177.9 | 172.9 | 150.8 | 2.4 | 115.6 | V592 Q669 | V592-R594 HydrophobicContact CG1-CG 4.35Å; R594-Q669 HydrophobicContact CG-CB 4.33Å; R594-Q669 HydrophobicContact CG-CG 3.93Å; R594-Q669 VanDerWaalsContact NH2-OE1 3.1Å | ||
| 595 | N | 84.5 | Confident | 88.4 | Confident | 65 Ų | 65 | 33.4 Ų | 33.4 | 35% | 0.348 | 17% | 0.172 | S | C | . | . | trans | -112.5 | 51.7 | -162.4 | 48.8 | -53.8 | 0 | 0 | 0 | 112.7 | L547 Y549 Y597 | L547-N595 WeakPolarHBondContact CD2-ND2 3.47Å; L547-N595 VanDerWaalsContact CD2-O 3.27Å; L547-N595 WeakPolarHBondContact CD2-O 3.17Å; Y549-N595 PolarHBondContact OH-OD1 2.87Å; N595-Y597 WeakPolarHBondContact O-CE2 3.08Å | ||
| 596 | I | 86.7 | Confident | 88.7 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | trans | -84.6 | 129.1 | 171.7 | -54.7 | -58.1 | 0 | 0 | 0 | 109.2 | L547 V593 M598 F602 L664 P666 Y670 L697 | L547-I596 HydrophobicContact CD1-CD1 4.09Å; V593-I596 HydrophobicContact CG1-CD1 4.01Å; V593-I596 HydrophobicContact CG1-CG1 4.23Å; I596-M598 WeakPolarHBondContact CG2-O 3.29Å; I596-F602 HydrophobicContact CD1-CE2 4.43Å; I596-F602 HydrophobicContact CD1-CZ 4.36Å; I596-F602 HydrophobicContact CG2-CE2 4.03Å; I596-F602 HydrophobicContact CG2-CZ 4.13Å; I596-L664 HydrophobicContact CD1-CB 4.25Å; I596-L664 HydrophobicContact CD1-CD1 3.91Å; I596-L664 HydrophobicContact CG1-CB 4.14Å; I596-L664 HydrophobicContact CG1-CD1 4.47Å; I596-L664 HydrophobicContact CG2-CB 4.29Å; I596-P666 VanDerWaalsContact O-CA 3.27Å; I596-P666 WeakPolarHBondContact O-CA 3.43Å; I596-P666 VanDerWaalsContact O-CB 3.28Å; I596-P666 WeakPolarHBondContact O-CB 3.48Å; I596-Y670 HydrophobicContact CG1-CE2 4.37Å; I596-L697 HydrophobicContact CD1-CD1 3.93Å | ||
| 597 | Y | 84.1 | Confident | 88.8 | Confident | 83 Ų | 83 | 30.1 Ų | 30.1 | 33% | 0.325 | 15% | 0.146 | S | C | . | . | trans | -88.5 | -41.3 | -173.5 | -72.1 | -90.4 | 0 | 0 | 0 | 114 | F546 L547 N595 V755 | F546-Y597 HydrophobicContact CD1-CE2 4.35Å; F546-Y597 AromaticContact CE1-CE2 3.75Å; F546-Y597 HydrophobicContact CE1-CE2 3.75Å; F546-Y597 AromaticContact CE1-CZ 3.94Å; F546-Y597 WeakPolarHBondContact CE1-OH 3.41Å; L547-Y597 HydrophobicContact CD2-CE2 4.29Å; N595-Y597 WeakPolarHBondContact O-CE2 3.08Å; Y597-V755 HydrophobicContact CD1-CG1 4.07Å; Y597-V755 HydrophobicContact CE1-CG1 4.13Å | ||
| 598 | M | 82.7 | Confident | 88.8 | Confident | 64 Ų | 64 | 30.5 Ų | 30.5 | 32% | 0.315 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -145.9 | 160 | 176.5 | 63.8 | 171.8 | 63.9 | 0 | 0 | 110.9 | I596 M600 F754 D756 | I596-M598 WeakPolarHBondContact CG2-O 3.29Å; M598-M600 HydrophobicContact CG-CE 3.7Å; M598-M600 PolarHBondContact O-N 3.29Å; M598-M600 HydrophobicContact SD-CE 3.55Å; M598-M600 VanDerWaalsContact SD-CE 3.55Å; M598-F754 WeakPolarHBondContact CE-O 3.3Å; M598-F754 HydrophobicContact SD-CB 4.45Å; M598-D756 HydrophobicContact CE-CB 4.44Å |
| 599 | A | 87 | Confident | 88.5 | Confident | 24 Ų | 24 | 32.2 Ų | 32.2 | 20% | 0.198 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -77.4 | 111.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P634 L664 E665 | A599-P634 HydrophobicContact CB-CB 4.19Å; A599-P634 HydrophobicContact CB-CG 3.86Å; A599-L664 VanDerWaalsContact CA-O 3.3Å; A599-L664 WeakPolarHBondContact CA-O 3.28Å; A599-E665 HydrophobicContact CB-CG 4.17Å |
| 600 | M | 86.8 | Confident | 87.8 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.069 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 171.6 | -178.8 | 63.9 | 164.1 | 57.7 | 0 | 0 | 113.2 | M598 F602 C663 L664 P699 F754 | M598-M600 HydrophobicContact CG-CE 3.7Å; M598-M600 PolarHBondContact O-N 3.29Å; M598-M600 HydrophobicContact SD-CE 3.55Å; M598-M600 VanDerWaalsContact SD-CE 3.55Å; M600-F602 HydrophobicContact CG-CD2 4.19Å; M600-F602 HydrophobicContact CG-CE1 4.32Å; M600-F602 HydrophobicContact CG-CE2 3.48Å; M600-F602 VanDerWaalsContact CG-CE2 3.48Å; M600-F602 HydrophobicContact CG-CZ 3.55Å; M600-F602 WeakPolarHBondContact O-CD2 3.46Å; M600-F602 WeakPolarHBondContact O-CE2 3.25Å; M600-F602 HydrophobicContact SD-CE1 4.33Å; M600-F602 HydrophobicContact SD-CE2 4.49Å; M600-F602 HydrophobicContact SD-CZ 4.05Å; M600-C663 VanDerWaalsContact O-CA 3.31Å; M600-C663 WeakPolarHBondContact O-CA 3.34Å; M600-L664 PolarHBondContact N-O 2.98Å; M600-L664 PolarHBondContact O-N 3.03Å; M600-P699 HydrophobicContact SD-CB 3.63Å; M600-P699 HydrophobicContact SD-CG 3.9Å; M600-F754 HydrophobicContact CE-CB 3.44Å; M600-F754 VanDerWaalsContact CE-CB 3.44Å; M600-F754 HydrophobicContact SD-CB 4.11Å |
| 601 | D | 88 | Confident | 86.8 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 122.1 | 175.9 | -82.1 | -56.1 | 0 | 0 | 0 | 112.7 | T661 S700 | D601-T661 HydrophobicContact CB-CG2 4.06Å; D601-T661 PolarHBondContact OD1-OG1 3.1Å; D601-S700 PolarHBondContact O-N 3.31Å |
| 602 | F | 89.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.1 | 175.1 | -64.1 | -93.1 | 0 | 0 | 0 | 112.2 | L547 I596 M600 T661 V662 L664 L697 L698 P699 | L547-F602 HydrophobicContact CD1-CD1 4.28Å; L547-F602 HydrophobicContact CD1-CE1 3.6Å; L547-F602 HydrophobicContact CD1-CZ 4.23Å; I596-F602 HydrophobicContact CD1-CE2 4.43Å; I596-F602 HydrophobicContact CD1-CZ 4.36Å; I596-F602 HydrophobicContact CG2-CE2 4.03Å; I596-F602 HydrophobicContact CG2-CZ 4.13Å; M600-F602 HydrophobicContact CG-CD2 4.19Å; M600-F602 HydrophobicContact CG-CE1 4.32Å; M600-F602 HydrophobicContact CG-CE2 3.48Å; M600-F602 VanDerWaalsContact CG-CE2 3.48Å; M600-F602 HydrophobicContact CG-CZ 3.55Å; M600-F602 WeakPolarHBondContact O-CD2 3.46Å; M600-F602 WeakPolarHBondContact O-CE2 3.25Å; M600-F602 HydrophobicContact SD-CE1 4.33Å; M600-F602 HydrophobicContact SD-CE2 4.49Å; M600-F602 HydrophobicContact SD-CZ 4.05Å; F602-T661 CarbonylContact O-C 3.57Å; F602-T661 VanDerWaalsContact O-CA 3.24Å; F602-T661 WeakPolarHBondContact O-CA 3.32Å; F602-V662 PolarHBondContact N-O 3.49Å; F602-V662 PolarHBondContact O-N 3.46Å; F602-L664 HydrophobicContact CB-CD1 4.46Å; F602-L664 HydrophobicContact CD2-CB 3.8Å; F602-L664 HydrophobicContact CD2-CD1 3.97Å; F602-L664 HydrophobicContact CD2-CG 4Å; F602-L664 HydrophobicContact CE2-CB 3.93Å; F602-L664 HydrophobicContact CG-CD1 4.34Å; F602-L697 HydrophobicContact CB-CB 4.43Å; F602-L697 HydrophobicContact CD1-CB 4Å; F602-L697 HydrophobicContact CG-CB 4.44Å; F602-L698 CarbonylContact C-O 3.59Å; F602-L698 VanDerWaalsContact CA-O 3.24Å; F602-L698 WeakPolarHBondContact CA-O 3.29Å; F602-P699 HydrophobicContact CD1-CG 4.08Å; F602-P699 HydrophobicContact CE1-CG 3.76Å |
| 603 | H | 89.3 | Confident | 85.2 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 12% | 0.12 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 139.2 | 159.9 | -60.8 | -98.4 | 0 | 0 | 0 | 109.6 | V605 D657 S658 L697 L698 R727 | H603-V605 HydrophobicContact CB-CG2 4.26Å; H603-D657 WeakPolarHBondContact CB-OD1 3.18Å; H603-D657 IonicContact CG-OD1 3.09Å; H603-D657 IonicContact ND1-OD1 3.91Å; H603-S658 WeakPolarHBondContact CA-OG 3.34Å; H603-S658 PolarHBondContact ND1-O 3.33Å; H603-L697 WeakPolarHBondContact O-CA 3.03Å; H603-L698 HydrophobicContact CB-CB 4.27Å; H603-L698 PolarHBondContact N-O 2.83Å; H603-L698 PolarHBondContact O-N 2.03Å; H603-R727 PolarHBondContact CD2-NH2 3.26Å; H603-R727 VanDerWaalsContact CD2-NH2 3.32Å; H603-R727 PolarHBondContact NE2-NH1 3.09Å; H603-R727 PolarHBondContact NE2-NH2 3.15Å |
| 604 | V | 89 | Confident | 84.6 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110.2 | 172.7 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | V621 M645 S658 V662 L695 L697 | V604-V621 HydrophobicContact CG1-CG1 4.33Å; V604-M645 HydrophobicContact CB-CE 4.21Å; V604-M645 HydrophobicContact CB-SD 4.49Å; V604-M645 HydrophobicContact CG2-CE 3.91Å; V604-S658 PolarHBondContact N-OG 3.09Å; V604-S658 WeakPolarHBondContact O-CB 2.96Å; V604-S658 PolarHBondContact O-N 2.87Å; V604-V662 HydrophobicContact CG2-CG2 4.06Å; V604-L695 HydrophobicContact CG1-CD1 4.02Å; V604-L695 HydrophobicContact CG1-CD2 4.32Å; V604-L695 HydrophobicContact CG1-CG 4.21Å; V604-L697 HydrophobicContact CB-CD2 4.5Å; V604-L697 HydrophobicContact CG2-CD2 3.9Å |
| 605 | V | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.7 | -173 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | H603 L655 Y656 D657 L695 V696 L698 | H603-V605 HydrophobicContact CB-CG2 4.26Å; V605-L655 HydrophobicContact CG1-CD1 3.39Å; V605-L655 HydrophobicContact CG1-CD2 4.04Å; V605-L655 HydrophobicContact CG1-CG 3.65Å; V605-Y656 CarbonylContact C-O 3.52Å; V605-Y656 WeakPolarHBondContact CA-O 2.87Å; V605-Y656 WeakPolarHBondContact CG1-O 3.48Å; V605-D657 HydrophobicContact CG2-CB 4.42Å; V605-L695 CarbonylContact O-C 3.53Å; V605-L695 WeakPolarHBondContact O-CA 3.2Å; V605-V696 HydrophobicContact CB-CB 4.13Å; V605-V696 WeakPolarHBondContact CB-O 3.31Å; V605-V696 HydrophobicContact CG1-CB 4.47Å; V605-V696 PolarHBondContact N-O 3.03Å; V605-V696 PolarHBondContact O-N 3.4Å; V605-L698 HydrophobicContact CG2-CD1 3.72Å; V605-L698 HydrophobicContact CG2-CG 3.9Å |
| 606 | L | 90.4 | Very high | 84.1 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.1 | 177.6 | -166.9 | 77.7 | 0 | 0 | 0 | 109.7 | L649 L655 Y656 V674 F676 I692 L695 | L606-L649 HydrophobicContact CD2-CD1 3.95Å; L606-L649 HydrophobicContact CD2-CD2 4.47Å; L606-L655 CarbonylContact O-C 3.42Å; L606-L655 WeakPolarHBondContact O-CA 3.09Å; L606-Y656 PolarHBondContact N-O 2.91Å; L606-Y656 PolarHBondContact O-N 2.93Å; L606-V674 HydrophobicContact CD2-CG1 4.4Å; L606-F676 HydrophobicContact CD2-CZ 4.38Å; L606-I692 HydrophobicContact CD1-CG2 4.03Å; L606-I692 HydrophobicContact CD2-CD1 4.46Å; L606-I692 HydrophobicContact CG-CG2 4.37Å; L606-L695 HydrophobicContact CD1-CB 4.36Å |
| 607 | R | 89.6 | Confident | 83.9 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 4% | 0.038 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135.5 | 171.7 | -71 | 179.1 | 175.9 | 143 | -4.8 | 109.8 | D545 K654 L655 D693 S694 M731 | D545-R607 IonicContact OD2-CZ 2.67Å; D545-R607 IonicContact OD2-NH1 3.5Å; D545-R607 IonicContact OD2-NH2 2.72Å; D545-R607 PolarHBondContact OD2-NH2 3.3Å; R607-K654 WeakPolarHBondContact CA-O 3.01Å; R607-L655 HydrophobicContact CG-CD1 3.59Å; R607-D693 HydrophobicContact CB-CB 3.81Å; R607-D693 WeakPolarHBondContact CB-OD2 3.47Å; R607-D693 WeakPolarHBondContact CD-OD2 3.37Å; R607-D693 PolarHBondContact O-N 3.12Å; R607-S694 WeakPolarHBondContact CD-OG 2.96Å; R607-S694 PolarHBondContact N-O 3.38Å; R607-M731 PolarHBondContact NE-O 2.81Å; R607-M731 PolarHBondContact NH2-O 3.28Å |
| 608 | Y | 89.7 | Confident | 83.8 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 157.7 | -176.2 | 67.6 | -79.3 | 0 | 0 | 0 | 112.7 | L649 Y650 S653 K654 M690 L691 | Y608-L649 HydrophobicContact CD1-CD2 4.07Å; Y608-L649 HydrophobicContact CD2-CB 4.43Å; Y608-L649 HydrophobicContact CE1-CB 4.48Å; Y608-L649 HydrophobicContact CE1-CD2 3.6Å; Y608-L649 HydrophobicContact CE1-CG 4.47Å; Y608-L649 HydrophobicContact CE2-CB 3.85Å; Y608-L649 HydrophobicContact CE2-CD2 4.47Å; Y608-L649 HydrophobicContact CG-CD1 4.41Å; Y608-Y650 PolarHBondContact OH-N 3.44Å; Y608-Y650 VanDerWaalsContact OH-N 3.12Å; Y608-Y650 PolarHBondContact OH-O 3.16Å; Y608-S653 VanDerWaalsContact CE2-O 3.22Å; Y608-S653 WeakPolarHBondContact CE2-O 3.11Å; Y608-S653 VanDerWaalsContact OH-CB 3.25Å; Y608-S653 WeakPolarHBondContact OH-CB 2.85Å; Y608-K654 PolarHBondContact N-O 3.34Å; Y608-K654 VanDerWaalsContact O-CA 3.3Å; Y608-K654 WeakPolarHBondContact O-CA 3.27Å; Y608-M690 HydrophobicContact CD2-CE 4.29Å; Y608-M690 HydrophobicContact CD2-CG 4.32Å; Y608-M690 HydrophobicContact CD2-SD 3.67Å; Y608-M690 HydrophobicContact CE2-CE 4.39Å; Y608-M690 HydrophobicContact CE2-SD 4.27Å; Y608-M690 HydrophobicContact CG-SD 4.29Å; Y608-L691 CarbonylContact C-O 3.56Å; Y608-L691 VanDerWaalsContact CA-O 3.29Å; Y608-L691 WeakPolarHBondContact CA-O 3.39Å; Y608-L691 WeakPolarHBondContact CB-O 3.34Å |
| 609 | E | 85.9 | Confident | 84 | Confident | 51 Ų | 51 | 28.5 Ų | 28.5 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.1 | 164.9 | -67.5 | -154.2 | 149.3 | 0 | 0 | 110.9 | F580 K654 M690 L691 | F580-E609 HydrophobicContact CE1-CB 4.33Å; F580-E609 HydrophobicContact CE1-CG 4.02Å; F580-E609 HydrophobicContact CZ-CG 4.1Å; E609-K654 IonicContact OE1-NZ 2.72Å; E609-K654 PolarHBondContact OE1-NZ 3.35Å; E609-M690 WeakPolarHBondContact O-CG 3.34Å; E609-L691 HydrophobicContact CB-CB 4.36Å; E609-L691 PolarHBondContact N-O 2.66Å; E609-L691 PolarHBondContact O-N 2.97Å |
| 610 | S | 78.9 | Confident | 84.2 | Confident | 29 Ų | 29 | 32.5 Ų | 32.5 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | trans | -124.1 | 122.9 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | L612 | S610-L612 VanDerWaalsContact C-N 3.33Å; S610-L612 WeakPolarHBondContact OG-CB 3.46Å; S610-L612 PolarHBondContact OG-N 2.99Å | ||
| 611 | S | 72.6 | Confident | 84.3 | Confident | 103 Ų | 103 | 32 Ų | 32 | 72% | 0.72 | 19% | 0.19 | S | C | * | . | trans | -91.2 | 4.5 | 167.3 | 58 | 0 | 0 | 0 | 0 | 113 | ||||
| 612 | L | 75 | Confident | 84.5 | Confident | 21 Ų | 21 | 30.6 Ų | 30.6 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | trans | -83.5 | 144.1 | -175.6 | -58.4 | 168.1 | 0 | 0 | 0 | 111.1 | S610 A614 W616 P651 Y679 A688 S689 M690 | S610-L612 VanDerWaalsContact C-N 3.33Å; S610-L612 WeakPolarHBondContact OG-CB 3.46Å; S610-L612 PolarHBondContact OG-N 2.99Å; L612-A614 VanDerWaalsContact C-N 3.32Å; L612-W616 HydrophobicContact CD1-CE3 3.48Å; L612-W616 VanDerWaalsContact CD1-CE3 3.48Å; L612-W616 HydrophobicContact CD1-CZ3 3.76Å; L612-P651 VanDerWaalsContact O-CB 3.32Å; L612-P651 WeakPolarHBondContact O-CB 3.16Å; L612-P651 VanDerWaalsContact O-CG 3.27Å; L612-P651 WeakPolarHBondContact O-CG 3.06Å; L612-Y679 HydrophobicContact CB-CE2 4.01Å; L612-Y679 HydrophobicContact CD1-CD2 4.08Å; L612-Y679 HydrophobicContact CD1-CE2 3.76Å; L612-Y679 HydrophobicContact CD2-CE2 4.11Å; L612-Y679 HydrophobicContact CG-CE2 4.18Å; L612-A688 HydrophobicContact CD2-CB 4.25Å; L612-S689 WeakPolarHBondContact CG-O 3.24Å; L612-M690 HydrophobicContact CD1-CE 4.27Å | ||
| 613 | A | 74.7 | Confident | 84.5 | Confident | 102 Ų | 102 | 30.6 Ų | 30.6 | 84% | 0.843 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -80.3 | -12.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 614 | A | 76.2 | Confident | 84.5 | Confident | 28 Ų | 28 | 33.1 Ų | 33.1 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -128.3 | 163.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.4 | L612 P651 Y679 Q680 | L612-A614 VanDerWaalsContact C-N 3.32Å; A614-P651 WeakPolarHBondContact O-CG 3.48Å; A614-Y679 HydrophobicContact CB-CE2 4.02Å; A614-Q680 HydrophobicContact CB-CB 4.33Å |
| 615 | A | 77.5 | Confident | 84.5 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 141.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q617 L649 Y650 Q680 | A615-Q617 PolarHBondContact O-N 3.49Å; A615-L649 CarbonylContact C-O 3.49Å; A615-L649 VanDerWaalsContact CA-O 3.27Å; A615-L649 WeakPolarHBondContact CA-O 3.07Å; A615-Y650 HydrophobicContact CB-CD1 3.79Å; A615-Y650 HydrophobicContact CB-CE1 4.07Å; A615-Y650 HydrophobicContact CB-CG 4.45Å; A615-Q680 VanDerWaalsContact N-OE1 3.15Å |
| 616 | W | 83.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 117.9 | 168.5 | -158.8 | -65.8 | 0 | 0 | 0 | 108.8 | E585 L612 V619 S648 L649 F676 Y679 M690 | E585-W616 HydrophobicContact CG-CH2 4.3Å; E585-W616 HydrophobicContact CG-CZ2 4.14Å; L612-W616 HydrophobicContact CD1-CE3 3.48Å; L612-W616 VanDerWaalsContact CD1-CE3 3.48Å; L612-W616 HydrophobicContact CD1-CZ3 3.76Å; W616-V619 HydrophobicContact CB-CG2 4.48Å; W616-V619 HydrophobicContact CG-CG2 4.23Å; W616-S648 CarbonylContact O-C 3.55Å; W616-S648 WeakPolarHBondContact O-CA 2.99Å; W616-S648 WeakPolarHBondContact O-CB 3.47Å; W616-L649 HydrophobicContact CB-CB 4.25Å; W616-L649 PolarHBondContact N-O 3.04Å; W616-L649 PolarHBondContact O-N 3.42Å; W616-F676 HydrophobicContact CZ2-CB 4.03Å; W616-Y679 HydrophobicContact CE3-CD2 4.44Å; W616-M690 HydrophobicContact CB-CE 3.68Å; W616-M690 HydrophobicContact CE3-CB 4.06Å; W616-M690 HydrophobicContact CE3-CE 4.16Å; W616-M690 HydrophobicContact CG-CE 4.42Å; W616-M690 HydrophobicContact CZ3-CB 4.2Å |
| 617 | Q | 82.5 | Confident | 83.9 | Confident | 84 Ų | 84 | 43.7 Ų | 43.7 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 152.3 | -173.1 | -67.1 | -164.4 | -24.5 | 0 | 0 | 112.3 | A615 V619 A678 Q680 | A615-Q617 PolarHBondContact O-N 3.49Å; Q617-V619 VanDerWaalsContact C-N 3.3Å; Q617-V619 PolarHBondContact O-N 3.46Å; Q617-A678 PolarHBondContact N-O 3.08Å; Q617-Q680 HydrophobicContact CG-CB 4.48Å; Q617-Q680 HydrophobicContact CG-CG 4.27Å |
| 618 | G | 81.8 | Confident | 83.5 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.8 | 33.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R620 F647 N677 | G618-R620 PolarHBondContact O-N 2.8Å; G618-F647 PolarHBondContact N-O 3.24Å; G618-N677 PolarHBondContact O-ND2 3.02Å |
| 619 | V | 87.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 125.4 | 166 | -177 | 0 | 0 | 0 | 0 | 107.3 | W616 Q617 Q646 F647 L649 V674 A675 F676 | W616-V619 HydrophobicContact CB-CG2 4.48Å; W616-V619 HydrophobicContact CG-CG2 4.23Å; Q617-V619 VanDerWaalsContact C-N 3.3Å; Q617-V619 PolarHBondContact O-N 3.46Å; V619-Q646 WeakPolarHBondContact O-CA 3.38Å; V619-F647 HydrophobicContact CB-CD2 3.93Å; V619-F647 HydrophobicContact CB-CE2 3.69Å; V619-F647 HydrophobicContact CB-CZ 4.22Å; V619-F647 HydrophobicContact CG1-CD2 4.24Å; V619-F647 HydrophobicContact CG1-CE2 3.49Å; V619-F647 VanDerWaalsContact CG1-CE2 3.49Å; V619-F647 HydrophobicContact CG1-CZ 3.66Å; V619-F647 PolarHBondContact N-O 3.19Å; V619-F647 PolarHBondContact O-N 3.41Å; V619-L649 HydrophobicContact CG2-CD1 4.03Å; V619-L649 HydrophobicContact CG2-CG 4.04Å; V619-V674 HydrophobicContact CG1-CG1 3.86Å; V619-A675 WeakPolarHBondContact CA-O 3.34Å; V619-F676 HydrophobicContact CG1-CD1 4.31Å; V619-F676 HydrophobicContact CG1-CE1 4.09Å; V619-F676 HydrophobicContact CG1-CZ 4.5Å; V619-F676 HydrophobicContact CG2-CD1 4Å; V619-F676 HydrophobicContact CG2-CE1 4.25Å |
| 620 | R | 90.1 | Very high | 83 | Confident | 107 Ų | 107 | 50.8 Ų | 50.8 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.3 | -178 | 171.2 | -179.8 | 170.5 | 153.7 | 2.4 | 109.6 | G618 D622 L644 M645 V674 A675 | G618-R620 PolarHBondContact O-N 2.8Å; R620-D622 IonicContact CZ-OD2 3.05Å; R620-D622 VanDerWaalsContact CZ-OD2 3.25Å; R620-D622 IonicContact NE-OD2 2.93Å; R620-D622 PolarHBondContact NE-OD2 2.91Å; R620-D622 IonicContact NH2-OD2 2.97Å; R620-D622 PolarHBondContact NH2-OD2 2.88Å; R620-L644 HydrophobicContact CG-CD1 3.87Å; R620-L644 VanDerWaalsContact NE-CD1 3.32Å; R620-M645 CarbonylContact C-O 3.6Å; R620-M645 WeakPolarHBondContact CA-O 3.04Å; R620-V674 CarbonylContact O-C 3.45Å; R620-V674 WeakPolarHBondContact O-CA 3.29Å; R620-A675 HydrophobicContact CB-CB 4.49Å; R620-A675 PolarHBondContact N-O 3.11Å; R620-A675 PolarHBondContact O-N 3.43Å |
| 621 | V | 90 | Very high | 83.2 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.4 | 170 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | V604 M645 F647 I672 R673 V674 | V604-V621 HydrophobicContact CG1-CG1 4.33Å; V621-M645 HydrophobicContact CB-CB 4.24Å; V621-M645 HydrophobicContact CG1-CE 4.19Å; V621-M645 PolarHBondContact N-O 2.76Å; V621-M645 PolarHBondContact O-N 2.84Å; V621-F647 HydrophobicContact CB-CE1 4.18Å; V621-F647 HydrophobicContact CG2-CE1 3.43Å; V621-F647 VanDerWaalsContact CG2-CE1 3.43Å; V621-F647 HydrophobicContact CG2-CZ 3.6Å; V621-I672 HydrophobicContact CG1-CG2 3.56Å; V621-R673 CarbonylContact C-O 3.4Å; V621-R673 WeakPolarHBondContact CA-O 3.19Å; V621-V674 HydrophobicContact CG2-CB 4.42Å; V621-V674 HydrophobicContact CG2-CG1 4.02Å; V621-V674 HydrophobicContact CG2-CG2 4.08Å |
| 622 | D | 91 | Very high | 83.7 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 111.6 | -174.8 | -147.6 | -52.4 | 0 | 0 | 0 | 108.4 | R620 I624 R673 | R620-D622 IonicContact CZ-OD2 3.05Å; R620-D622 VanDerWaalsContact CZ-OD2 3.25Å; R620-D622 IonicContact NE-OD2 2.93Å; R620-D622 PolarHBondContact NE-OD2 2.91Å; R620-D622 IonicContact NH2-OD2 2.97Å; R620-D622 PolarHBondContact NH2-OD2 2.88Å; D622-I624 PolarHBondContact O-N 2.87Å; D622-R673 HydrophobicContact CB-CB 4.27Å; D622-R673 PolarHBondContact N-O 2.79Å; D622-R673 PolarHBondContact O-N 3.1Å |
| 623 | V | 89.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 96.6 | -179.4 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | R625 D643 M645 V662 L664 Y670 I672 | V623-R625 PolarHBondContact O-N 2.99Å; V623-D643 HydrophobicContact CB-CB 4.09Å; V623-D643 PolarHBondContact N-O 3.49Å; V623-M645 HydrophobicContact CG2-CE 4.19Å; V623-V662 HydrophobicContact CG1-CG1 4.25Å; V623-V662 HydrophobicContact CG2-CG1 4.36Å; V623-V662 HydrophobicContact CG2-CG2 4.39Å; V623-L664 HydrophobicContact CG1-CD2 4.28Å; V623-Y670 HydrophobicContact CG1-CD1 4.34Å; V623-I672 HydrophobicContact CG1-CG1 4.44Å; V623-I672 HydrophobicContact CG2-CD1 4.5Å; V623-I672 HydrophobicContact CG2-CG1 4.3Å; V623-I672 HydrophobicContact CG2-CG2 4.4Å |
| 624 | I | 89.9 | Confident | 84.1 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 41% | 0.41 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 107 | -177.7 | -54.2 | 170.8 | 0 | 0 | 0 | 108.7 | D622 H671 | D622-I624 PolarHBondContact O-N 2.87Å; I624-H671 HydrophobicContact CB-CB 4.11Å; I624-H671 WeakPolarHBondContact CB-O 3.33Å; I624-H671 PolarHBondContact N-O 3.45Å; I624-H671 PolarHBondContact O-N 2.85Å; I624-H671 VanDerWaalsContact O-N 3.07Å |
| 625 | R | 88.4 | Confident | 84.6 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | trans | -87.4 | 141.1 | 173.9 | -46.3 | -177.4 | 176.6 | -104.3 | -7.2 | 110.7 | V623 N627 S638 D643 V662 C663 Y670 | V623-R625 PolarHBondContact O-N 2.99Å; R625-N627 WeakPolarHBondContact CB-O 3.39Å; R625-S638 PolarHBondContact NH2-OG 2.75Å; R625-D643 WeakPolarHBondContact CD-OD2 3.29Å; R625-D643 IonicContact CZ-OD1 3.92Å; R625-D643 IonicContact CZ-OD2 2.77Å; R625-D643 IonicContact NE-OD1 3.25Å; R625-D643 PolarHBondContact NE-OD1 3.5Å; R625-D643 IonicContact NE-OD2 3.44Å; R625-D643 PolarHBondContact NE-OD2 2.82Å; R625-D643 IonicContact NH2-OD1 2.65Å; R625-D643 PolarHBondContact NH2-OD1 2.74Å; R625-V662 VanDerWaalsContact NH2-CG1 3.25Å; R625-C663 VanDerWaalsContact CZ-O 3.31Å; R625-C663 PolarHBondContact NH1-O 3.18Å; R625-C663 PolarHBondContact NH2-O 3.08Å; R625-Y670 HydrophobicContact CB-CD1 4.19Å; R625-Y670 HydrophobicContact CB-CE1 4.12Å; R625-Y670 HydrophobicContact CG-CD1 3.91Å; R625-Y670 HydrophobicContact CG-CE1 3.82Å | ||
| 626 | P | 84.1 | Confident | 84.9 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 51% | 0.506 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -77 | -28.1 | 175.8 | 30.1 | -33.6 | 0 | 0 | 0 | 112.9 | V668 Q669 | P626-V668 HydrophobicContact CG-CG1 3.55Å; P626-Q669 WeakPolarHBondContact CD-O 3.44Å |
| 627 | N | 82.7 | Confident | 84.8 | Confident | 115 Ų | 115 | 62.3 Ų | 62.3 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -137 | 159.8 | 179.8 | -64.1 | -54.2 | 0 | 0 | 0 | 110.2 | R625 | R625-N627 WeakPolarHBondContact CB-O 3.39Š|
| 628 | P | 81.8 | Confident | 84.6 | Confident | 110 Ų | 110 | 59.4 Ų | 59.4 | 71% | 0.714 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 154 | 165.5 | -18.3 | 32.2 | 0 | 0 | 0 | 111.8 | ||
| 629 | P | 82.8 | Confident | 84.7 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 20% | 0.201 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 155.3 | 174.4 | -22.1 | 32.5 | 0 | 0 | 0 | 113.5 | P631 C635 E665 | P629-P631 WeakPolarHBondContact O-CD 3.38Å; P629-C635 HydrophobicContact CB-CB 4.08Å; P629-C635 WeakPolarHBondContact CB-O 3.13Å; P629-E665 WeakPolarHBondContact CA-OE2 3.41Å |
| 630 | D | 81.9 | Confident | 84.3 | Confident | 76 Ų | 76 | 68 Ų | 68 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 118.5 | 173.5 | -176.9 | -18.3 | 0 | 0 | 0 | 109.7 | S632 G633 A636 E665 | D630-S632 PolarHBondContact O-N 3.07Å; D630-S632 WeakPolarHBondContact OD1-CA 3.3Å; D630-S632 WeakPolarHBondContact OD1-CB 3.31Å; D630-S632 PolarHBondContact OD1-N 3.4Å; D630-S632 PolarHBondContact OD1-OG 2.95Å; D630-S632 PolarHBondContact OD2-OG 3.35Å; D630-G633 PolarHBondContact O-N 2.8Å; D630-G633 PolarHBondContact OD1-N 3.1Å; D630-A636 WeakPolarHBondContact O-CA 3.41Å; D630-A636 WeakPolarHBondContact O-CB 3.15Å; D630-E665 PolarHBondContact N-OE1 3.31Å |
| 631 | P | 82.9 | Confident | 83.9 | Confident | 120 Ų | 120 | 69.8 Ų | 69.8 | 78% | 0.779 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -7.1 | 179.9 | 29.4 | -36.5 | 0 | 0 | 0 | 114 | P629 | P629-P631 WeakPolarHBondContact O-CD 3.38Š|
| 632 | S | 83.3 | Confident | 83.5 | Confident | 106 Ų | 106 | 71.8 Ų | 71.8 | 74% | 0.741 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -7.5 | 172.6 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | D630 | D630-S632 PolarHBondContact O-N 3.07Å; D630-S632 WeakPolarHBondContact OD1-CA 3.3Å; D630-S632 WeakPolarHBondContact OD1-CB 3.31Å; D630-S632 PolarHBondContact OD1-N 3.4Å; D630-S632 PolarHBondContact OD1-OG 2.95Å; D630-S632 PolarHBondContact OD2-OG 3.35Å |
| 633 | G | 78 | Confident | 83.2 | Confident | 19 Ų | 19 | 71 Ų | 71 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -86.1 | 172.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D630 C635 A636 | D630-G633 PolarHBondContact O-N 2.8Å; D630-G633 PolarHBondContact OD1-N 3.1Å; G633-C635 PolarHBondContact O-N 3.26Å; G633-A636 VanDerWaalsContact O-CB 3.27Å; G633-A636 WeakPolarHBondContact O-CB 3.24Å; G633-A636 PolarHBondContact O-N 2.93Å; G633-A636 VanDerWaalsContact O-N 3.11Å |
| 634 | P | 80.8 | Confident | 83.1 | Confident | 94 Ų | 94 | 74.9 Ų | 74.9 | 61% | 0.61 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -56 | -32.6 | 176.1 | -26.3 | 36.2 | 0 | 0 | 0 | 113.5 | A599 A636 | A599-P634 HydrophobicContact CB-CB 4.19Å; A599-P634 HydrophobicContact CB-CG 3.86Å; P634-A636 VanDerWaalsContact C-N 3.31Å; P634-A636 PolarHBondContact O-N 3.15Å |
| 635 | C | 86.3 | Confident | 83 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.007 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -83.2 | 5.4 | -179.3 | -60.7 | 0 | 0 | 0 | 0 | 115 | P629 G633 N637 S638 C663 E665 | P629-C635 HydrophobicContact CB-CB 4.08Å; P629-C635 WeakPolarHBondContact CB-O 3.13Å; G633-C635 PolarHBondContact O-N 3.26Å; C635-N637 PolarHBondContact O-N 3.36Å; C635-S638 VanDerWaalsContact O-CB 3.26Å; C635-S638 WeakPolarHBondContact O-CB 3.14Å; C635-S638 PolarHBondContact O-N 2.81Å; C635-C663 WeakPolarHBondContact CA-SG 3.11Å; C635-C663 HydrophobicContact CB-CB 3.71Å; C635-C663 WeakPolarHBondContact CB-SG 3.47Å; C635-C663 WeakPolarHBondContact SG-CB 3.06Å; C635-C663 CovalentContact SG-SG 2.04Å; C635-C663 PolarHBondContact SG-SG 3.04Å; C635-E665 HydrophobicContact CB-CG 3.92Å |
| 636 | A | 82.7 | Confident | 82.9 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 37% | 0.372 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -55.5 | -23.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D630 G633 P634 | D630-A636 WeakPolarHBondContact O-CA 3.41Å; D630-A636 WeakPolarHBondContact O-CB 3.15Å; G633-A636 VanDerWaalsContact O-CB 3.27Å; G633-A636 WeakPolarHBondContact O-CB 3.24Å; G633-A636 PolarHBondContact O-N 2.93Å; G633-A636 VanDerWaalsContact O-N 3.11Å; P634-A636 VanDerWaalsContact C-N 3.31Å; P634-A636 PolarHBondContact O-N 3.15Å |
| 637 | N | 82.5 | Confident | 83.1 | Confident | 147 Ų | 147 | 73.9 Ų | 73.9 | 79% | 0.786 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -90.9 | -3 | 178.6 | -65.5 | -49.8 | 0 | 0 | 0 | 114.3 | C635 L639 | C635-N637 PolarHBondContact O-N 3.36Å; N637-L639 PolarHBondContact O-N 2.71Å |
| 638 | S | 79 | Confident | 83.3 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | trans | -70.6 | 125.2 | -178.4 | -165.6 | 0 | 0 | 0 | 0 | 110.8 | R625 C635 | R625-S638 PolarHBondContact NH2-OG 2.75Å; C635-S638 VanDerWaalsContact O-CB 3.26Å; C635-S638 WeakPolarHBondContact O-CB 3.14Å; C635-S638 PolarHBondContact O-N 2.81Å | ||
| 639 | L | 82.5 | Confident | 83.6 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 45% | 0.45 | 37% | 0.374 | S | S | . | . | trans | -102.6 | 149.1 | -178 | -62.8 | 166.5 | 0 | 0 | 0 | 110.8 | N637 K641 D642 | N637-L639 PolarHBondContact O-N 2.71Å; L639-K641 HydrophobicContact CB-CD 4.24Å; L639-K641 HydrophobicContact CB-CG 4.04Å; L639-K641 HydrophobicContact CD1-CD 4.15Å; L639-K641 PolarHBondContact O-N 2.87Å; L639-D642 WeakPolarHBondContact CA-OD2 3.37Å; L639-D642 WeakPolarHBondContact CB-OD2 3.4Å; L639-D642 PolarHBondContact N-OD2 3.3Å; L639-D642 WeakPolarHBondContact O-CB 3.49Å; L639-D642 PolarHBondContact O-N 3.32Å | ||
| 640 | P | 80.2 | Confident | 83.7 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -10.4 | 178.8 | -25.7 | 34.8 | 0 | 0 | 0 | 115.7 | ||
| 641 | K | 81.3 | Confident | 83.5 | Confident | 145 Ų | 145 | 68.3 Ų | 68.3 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -26.3 | 172.4 | 77.8 | -170.4 | -175 | -176.4 | 0 | 111.9 | L639 D643 | L639-K641 HydrophobicContact CB-CD 4.24Å; L639-K641 HydrophobicContact CB-CG 4.04Å; L639-K641 HydrophobicContact CD1-CD 4.15Å; L639-K641 PolarHBondContact O-N 2.87Å; K641-D643 VanDerWaalsContact C-N 3.3Å |
| 642 | D | 81.4 | Confident | 83.1 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -21 | -175.4 | -50.7 | -39.3 | 0 | 0 | 0 | 110.3 | L639 L644 | L639-D642 WeakPolarHBondContact CA-OD2 3.37Å; L639-D642 WeakPolarHBondContact CB-OD2 3.4Å; L639-D642 PolarHBondContact N-OD2 3.3Å; L639-D642 WeakPolarHBondContact O-CB 3.49Å; L639-D642 PolarHBondContact O-N 3.32Å; D642-L644 VanDerWaalsContact C-N 3.27Å; D642-L644 PolarHBondContact O-N 3.08Å |
| 643 | D | 85.7 | Confident | 83 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 10% | 0.096 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -11.6 | 174.1 | -66.7 | -26.5 | 0 | 0 | 0 | 114.1 | V623 R625 K641 | V623-D643 HydrophobicContact CB-CB 4.09Å; V623-D643 PolarHBondContact N-O 3.49Å; R625-D643 WeakPolarHBondContact CD-OD2 3.29Å; R625-D643 IonicContact CZ-OD1 3.92Å; R625-D643 IonicContact CZ-OD2 2.77Å; R625-D643 IonicContact NE-OD1 3.25Å; R625-D643 PolarHBondContact NE-OD1 3.5Å; R625-D643 IonicContact NE-OD2 3.44Å; R625-D643 PolarHBondContact NE-OD2 2.82Å; R625-D643 IonicContact NH2-OD1 2.65Å; R625-D643 PolarHBondContact NH2-OD1 2.74Å; K641-D643 VanDerWaalsContact C-N 3.3Å |
| 644 | L | 87.9 | Confident | 83 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112.4 | -176.7 | 178.9 | 65.3 | 0 | 0 | 0 | 111.1 | R620 D642 | R620-L644 HydrophobicContact CG-CD1 3.87Å; R620-L644 VanDerWaalsContact NE-CD1 3.32Å; D642-L644 VanDerWaalsContact C-N 3.27Å; D642-L644 PolarHBondContact O-N 3.08Å |
| 645 | M | 87.1 | Confident | 83.3 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.049 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.4 | 178 | -72.1 | 165.9 | -89.2 | 0 | 0 | 111 | V604 R620 V621 V623 V662 | V604-M645 HydrophobicContact CB-CE 4.21Å; V604-M645 HydrophobicContact CB-SD 4.49Å; V604-M645 HydrophobicContact CG2-CE 3.91Å; R620-M645 CarbonylContact C-O 3.6Å; R620-M645 WeakPolarHBondContact CA-O 3.04Å; V621-M645 HydrophobicContact CB-CB 4.24Å; V621-M645 HydrophobicContact CG1-CE 4.19Å; V621-M645 PolarHBondContact N-O 2.76Å; V621-M645 PolarHBondContact O-N 2.84Å; V623-M645 HydrophobicContact CG2-CE 4.19Å; M645-V662 HydrophobicContact CE-CG2 3.42Å; M645-V662 VanDerWaalsContact CE-CG2 3.42Å; M645-V662 HydrophobicContact SD-CG2 4.45Å |
| 646 | Q | 87 | Confident | 83.3 | Confident | 145 Ų | 145 | 67.7 Ų | 67.7 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 130.3 | 174.2 | -167.1 | 177.3 | 18.1 | 0 | 0 | 110.4 | V619 | V619-Q646 WeakPolarHBondContact O-CA 3.38Å |
| 647 | F | 87.6 | Confident | 83.4 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 9% | 0.088 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | -177.4 | -172 | 51.8 | -93.5 | 0 | 0 | 0 | 112.3 | G618 V619 V621 L649 Y656 | G618-F647 PolarHBondContact N-O 3.24Å; V619-F647 HydrophobicContact CB-CD2 3.93Å; V619-F647 HydrophobicContact CB-CE2 3.69Å; V619-F647 HydrophobicContact CB-CZ 4.22Å; V619-F647 HydrophobicContact CG1-CD2 4.24Å; V619-F647 HydrophobicContact CG1-CE2 3.49Å; V619-F647 VanDerWaalsContact CG1-CE2 3.49Å; V619-F647 HydrophobicContact CG1-CZ 3.66Å; V619-F647 PolarHBondContact N-O 3.19Å; V619-F647 PolarHBondContact O-N 3.41Å; V621-F647 HydrophobicContact CB-CE1 4.18Å; V621-F647 HydrophobicContact CG2-CE1 3.43Å; V621-F647 VanDerWaalsContact CG2-CE1 3.43Å; V621-F647 HydrophobicContact CG2-CZ 3.6Å; F647-L649 HydrophobicContact CD2-CD2 3.83Å; F647-L649 HydrophobicContact CD2-CG 4.22Å; F647-L649 HydrophobicContact CE2-CD2 3.59Å; F647-L649 HydrophobicContact CE2-CG 4Å; F647-Y656 HydrophobicContact CB-CD2 4.15Å; F647-Y656 HydrophobicContact CB-CE2 3.41Å; F647-Y656 VanDerWaalsContact CB-CE2 3.41Å; F647-Y656 HydrophobicContact CD1-CD1 4.22Å; F647-Y656 AromaticContact CD1-CE1 3.47Å; F647-Y656 HydrophobicContact CD1-CE1 3.47Å; F647-Y656 VanDerWaalsContact CD1-CE1 3.47Å; F647-Y656 AromaticContact CD1-CE2 3.86Å; F647-Y656 HydrophobicContact CD1-CE2 3.86Å; F647-Y656 AromaticContact CD1-CZ 3.25Å; F647-Y656 VanDerWaalsContact CD1-OH 3.26Å; F647-Y656 WeakPolarHBondContact CD1-OH 2.74Å; F647-Y656 HydrophobicContact CD2-CD1 4.06Å; F647-Y656 AromaticContact CD2-CD2 3.71Å; F647-Y656 HydrophobicContact CD2-CD2 3.71Å; F647-Y656 HydrophobicContact CD2-CE1 4.09Å; F647-Y656 AromaticContact CD2-CE2 3.73Å; F647-Y656 HydrophobicContact CD2-CE2 3.73Å; F647-Y656 AromaticContact CD2-CG 3.88Å; F647-Y656 HydrophobicContact CD2-CG 3.88Å; F647-Y656 AromaticContact CD2-CZ 3.92Å; F647-Y656 AromaticContact CE1-CD1 3.92Å; F647-Y656 HydrophobicContact CE1-CD1 3.92Å; F647-Y656 AromaticContact CE1-CE1 3.39Å; F647-Y656 HydrophobicContact CE1-CE1 3.39Å; F647-Y656 AromaticContact CE1-CZ 3.73Å; F647-Y656 AromaticContact CE2-CD1 3.79Å; F647-Y656 HydrophobicContact CE2-CD1 3.79Å; F647-Y656 HydrophobicContact CE2-CD2 4.2Å; F647-Y656 HydrophobicContact CE2-CE1 4.04Å; F647-Y656 HydrophobicContact CE2-CE2 4.43Å; F647-Y656 AromaticContact CE2-CG 3.88Å; F647-Y656 HydrophobicContact CE2-CG 3.88Å; F647-Y656 HydrophobicContact CG-CD1 4.27Å; F647-Y656 AromaticContact CG-CD2 3.9Å; F647-Y656 HydrophobicContact CG-CD2 3.9Å; F647-Y656 AromaticContact CG-CE1 3.82Å; F647-Y656 HydrophobicContact CG-CE1 3.82Å; F647-Y656 AromaticContact CG-CE2 3.4Å; F647-Y656 HydrophobicContact CG-CE2 3.4Å; F647-Y656 HydrophobicContact CG-CG 4.31Å; F647-Y656 AromaticContact CG-CZ 3.35Å; F647-Y656 AromaticContact CZ-CD1 3.7Å; F647-Y656 HydrophobicContact CZ-CD1 3.7Å; F647-Y656 AromaticContact CZ-CE1 3.69Å; F647-Y656 HydrophobicContact CZ-CE1 3.69Å; F647-Y656 HydrophobicContact CZ-CG 4.28Å |
| 648 | S | 87 | Confident | 83.5 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.3 | 171.3 | -56.7 | 0 | 0 | 0 | 0 | 110 | W616 | W616-S648 CarbonylContact O-C 3.55Å; W616-S648 WeakPolarHBondContact O-CA 2.99Å; W616-S648 WeakPolarHBondContact O-CB 3.47Å |
| 649 | L | 88.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.4 | 176.9 | -63.3 | 179.5 | 0 | 0 | 0 | 109 | L606 Y608 A615 W616 V619 F647 Y656 F676 M690 | L606-L649 HydrophobicContact CD2-CD1 3.95Å; L606-L649 HydrophobicContact CD2-CD2 4.47Å; Y608-L649 HydrophobicContact CD1-CD2 4.07Å; Y608-L649 HydrophobicContact CD2-CB 4.43Å; Y608-L649 HydrophobicContact CE1-CB 4.48Å; Y608-L649 HydrophobicContact CE1-CD2 3.6Å; Y608-L649 HydrophobicContact CE1-CG 4.47Å; Y608-L649 HydrophobicContact CE2-CB 3.85Å; Y608-L649 HydrophobicContact CE2-CD2 4.47Å; Y608-L649 HydrophobicContact CG-CD1 4.41Å; A615-L649 CarbonylContact C-O 3.49Å; A615-L649 VanDerWaalsContact CA-O 3.27Å; A615-L649 WeakPolarHBondContact CA-O 3.07Å; W616-L649 HydrophobicContact CB-CB 4.25Å; W616-L649 PolarHBondContact N-O 3.04Å; W616-L649 PolarHBondContact O-N 3.42Å; V619-L649 HydrophobicContact CG2-CD1 4.03Å; V619-L649 HydrophobicContact CG2-CG 4.04Å; F647-L649 HydrophobicContact CD2-CD2 3.83Å; F647-L649 HydrophobicContact CD2-CG 4.22Å; F647-L649 HydrophobicContact CE2-CD2 3.59Å; F647-L649 HydrophobicContact CE2-CG 4Å; L649-Y656 HydrophobicContact CD2-CG 4.14Å; L649-F676 HydrophobicContact CD1-CE1 3.95Å; L649-M690 HydrophobicContact CB-CE 3.86Å; L649-M690 HydrophobicContact CB-SD 4.01Å; L649-M690 HydrophobicContact CD1-CE 4.44Å; L649-M690 HydrophobicContact CD1-SD 3.52Å; L649-M690 VanDerWaalsContact CD1-SD 3.52Å; L649-M690 HydrophobicContact CG-SD 4.42Å |
| 650 | Y | 85.3 | Confident | 83.5 | Confident | 136 Ų | 136 | 64.2 Ų | 64.2 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 145.1 | -169.5 | -68.3 | -85.2 | 0 | 0 | 0 | 112.1 | Y608 A615 S653 | Y608-Y650 PolarHBondContact OH-N 3.44Å; Y608-Y650 VanDerWaalsContact OH-N 3.12Å; Y608-Y650 PolarHBondContact OH-O 3.16Å; A615-Y650 HydrophobicContact CB-CD1 3.79Å; A615-Y650 HydrophobicContact CB-CE1 4.07Å; A615-Y650 HydrophobicContact CB-CG 4.45Å; Y650-S653 PolarHBondContact O-N 3.38Å |
| 651 | P | 76.7 | Confident | 83.9 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 141.6 | 169.6 | -25 | 35.9 | 0 | 0 | 0 | 112.1 | L612 A614 S653 | L612-P651 VanDerWaalsContact O-CB 3.32Å; L612-P651 WeakPolarHBondContact O-CB 3.16Å; L612-P651 VanDerWaalsContact O-CG 3.27Å; L612-P651 WeakPolarHBondContact O-CG 3.06Å; A614-P651 WeakPolarHBondContact O-CG 3.48Å; P651-S653 PolarHBondContact O-N 3.26Å; P651-S653 VanDerWaalsContact O-N 3.11Å |
| 652 | G | 73.8 | Confident | 84.2 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 81% | 0.814 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | -14.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 653 | S | 81.5 | Confident | 84.7 | Confident | 53 Ų | 53 | 52 Ų | 52 | 37% | 0.371 | 30% | 0.295 | S | S | . | . | trans | -81.5 | 140.4 | 165.4 | -64.5 | 0 | 0 | 0 | 0 | 109.6 | Y608 Y650 P651 | Y608-S653 VanDerWaalsContact CE2-O 3.22Å; Y608-S653 WeakPolarHBondContact CE2-O 3.11Å; Y608-S653 VanDerWaalsContact OH-CB 3.25Å; Y608-S653 WeakPolarHBondContact OH-CB 2.85Å; Y650-S653 PolarHBondContact O-N 3.38Å; P651-S653 PolarHBondContact O-N 3.26Å; P651-S653 VanDerWaalsContact O-N 3.11Å | ||
| 654 | K | 79.6 | Confident | 84.9 | Confident | 103 Ų | 103 | 51.1 Ų | 51.1 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | trans | -106.5 | -12.4 | 176.6 | -64.1 | -163.5 | 176.7 | -145.9 | 0 | 114.5 | R607 Y608 E609 | R607-K654 WeakPolarHBondContact CA-O 3.01Å; Y608-K654 PolarHBondContact N-O 3.34Å; Y608-K654 VanDerWaalsContact O-CA 3.3Å; Y608-K654 WeakPolarHBondContact O-CA 3.27Å; E609-K654 IonicContact OE1-NZ 2.72Å; E609-K654 PolarHBondContact OE1-NZ 3.35Å | ||
| 655 | L | 85.4 | Confident | 85 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 29% | 0.293 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.4 | -171.4 | -159.8 | 78.9 | 0 | 0 | 0 | 108.1 | V605 L606 R607 M731 | V605-L655 HydrophobicContact CG1-CD1 3.39Å; V605-L655 HydrophobicContact CG1-CD2 4.04Å; V605-L655 HydrophobicContact CG1-CG 3.65Å; L606-L655 CarbonylContact O-C 3.42Å; L606-L655 WeakPolarHBondContact O-CA 3.09Å; R607-L655 HydrophobicContact CG-CD1 3.59Å; L655-M731 HydrophobicContact CD1-CB 4.41Å; L655-M731 HydrophobicContact CD2-CB 3.76Å; L655-M731 HydrophobicContact CD2-CG 4.08Å |
| 656 | Y | 87.4 | Confident | 84.9 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.8 | 159.6 | 166.6 | -93.5 | 0 | 0 | 0 | 107.3 | V605 L606 F647 L649 P659 | V605-Y656 CarbonylContact C-O 3.52Å; V605-Y656 WeakPolarHBondContact CA-O 2.87Å; V605-Y656 WeakPolarHBondContact CG1-O 3.48Å; L606-Y656 PolarHBondContact N-O 2.91Å; L606-Y656 PolarHBondContact O-N 2.93Å; F647-Y656 HydrophobicContact CB-CD2 4.15Å; F647-Y656 HydrophobicContact CB-CE2 3.41Å; F647-Y656 VanDerWaalsContact CB-CE2 3.41Å; F647-Y656 HydrophobicContact CD1-CD1 4.22Å; F647-Y656 AromaticContact CD1-CE1 3.47Å; F647-Y656 HydrophobicContact CD1-CE1 3.47Å; F647-Y656 VanDerWaalsContact CD1-CE1 3.47Å; F647-Y656 AromaticContact CD1-CE2 3.86Å; F647-Y656 HydrophobicContact CD1-CE2 3.86Å; F647-Y656 AromaticContact CD1-CZ 3.25Å; F647-Y656 VanDerWaalsContact CD1-OH 3.26Å; F647-Y656 WeakPolarHBondContact CD1-OH 2.74Å; F647-Y656 HydrophobicContact CD2-CD1 4.06Å; F647-Y656 AromaticContact CD2-CD2 3.71Å; F647-Y656 HydrophobicContact CD2-CD2 3.71Å; F647-Y656 HydrophobicContact CD2-CE1 4.09Å; F647-Y656 AromaticContact CD2-CE2 3.73Å; F647-Y656 HydrophobicContact CD2-CE2 3.73Å; F647-Y656 AromaticContact CD2-CG 3.88Å; F647-Y656 HydrophobicContact CD2-CG 3.88Å; F647-Y656 AromaticContact CD2-CZ 3.92Å; F647-Y656 AromaticContact CE1-CD1 3.92Å; F647-Y656 HydrophobicContact CE1-CD1 3.92Å; F647-Y656 AromaticContact CE1-CE1 3.39Å; F647-Y656 HydrophobicContact CE1-CE1 3.39Å; F647-Y656 AromaticContact CE1-CZ 3.73Å; F647-Y656 AromaticContact CE2-CD1 3.79Å; F647-Y656 HydrophobicContact CE2-CD1 3.79Å; F647-Y656 HydrophobicContact CE2-CD2 4.2Å; F647-Y656 HydrophobicContact CE2-CE1 4.04Å; F647-Y656 HydrophobicContact CE2-CE2 4.43Å; F647-Y656 AromaticContact CE2-CG 3.88Å; F647-Y656 HydrophobicContact CE2-CG 3.88Å; F647-Y656 HydrophobicContact CG-CD1 4.27Å; F647-Y656 AromaticContact CG-CD2 3.9Å; F647-Y656 HydrophobicContact CG-CD2 3.9Å; F647-Y656 AromaticContact CG-CE1 3.82Å; F647-Y656 HydrophobicContact CG-CE1 3.82Å; F647-Y656 AromaticContact CG-CE2 3.4Å; F647-Y656 HydrophobicContact CG-CE2 3.4Å; F647-Y656 HydrophobicContact CG-CG 4.31Å; F647-Y656 AromaticContact CG-CZ 3.35Å; F647-Y656 AromaticContact CZ-CD1 3.7Å; F647-Y656 HydrophobicContact CZ-CD1 3.7Å; F647-Y656 AromaticContact CZ-CE1 3.69Å; F647-Y656 HydrophobicContact CZ-CE1 3.69Å; F647-Y656 HydrophobicContact CZ-CG 4.28Å; L649-Y656 HydrophobicContact CD2-CG 4.14Å; Y656-P659 WeakPolarHBondContact OH-CD 3.12Å |
| 657 | D | 84.7 | Confident | 84.8 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 31% | 0.31 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.9 | 177.3 | -167.4 | -23.8 | 0 | 0 | 0 | 108.1 | H603 V605 R727 | H603-D657 WeakPolarHBondContact CB-OD1 3.18Å; H603-D657 IonicContact CG-OD1 3.09Å; H603-D657 IonicContact ND1-OD1 3.91Å; V605-D657 HydrophobicContact CG2-CB 4.42Å; D657-R727 VanDerWaalsContact CG-NH2 3.27Å; D657-R727 IonicContact OD1-NH2 3.62Å; D657-R727 PolarHBondContact OD1-NH2 2.79Å; D657-R727 VanDerWaalsContact OD1-NH2 3.08Å; D657-R727 IonicContact OD2-CZ 2.8Å; D657-R727 IonicContact OD2-NE 3.55Å; D657-R727 IonicContact OD2-NH2 2.97Å; D657-R727 PolarHBondContact OD2-NH2 2.65Å |
| 658 | S | 83.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127.1 | -174.8 | 68 | 0 | 0 | 0 | 0 | 111 | H603 V604 S660 | H603-S658 WeakPolarHBondContact CA-OG 3.34Å; H603-S658 PolarHBondContact ND1-O 3.33Å; V604-S658 PolarHBondContact N-OG 3.09Å; V604-S658 WeakPolarHBondContact O-CB 2.96Å; V604-S658 PolarHBondContact O-N 2.87Å; S658-S660 WeakPolarHBondContact CB-O 3.36Å; S658-S660 PolarHBondContact O-N 3.09Å; S658-S660 PolarHBondContact OG-O 3.02Å |
| 659 | P | 79.6 | Confident | 84.7 | Confident | 120 Ų | 120 | 53 Ų | 53 | 78% | 0.779 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -22.2 | 179.6 | 28 | -34.6 | 0 | 0 | 0 | 112.7 | Y656 | Y656-P659 WeakPolarHBondContact OH-CD 3.12Å |
| 660 | S | 83 | Confident | 84.8 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 147.2 | 170.1 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | S658 | S658-S660 WeakPolarHBondContact CB-O 3.36Å; S658-S660 PolarHBondContact O-N 3.09Å; S658-S660 PolarHBondContact OG-O 3.02Å |
| 661 | T | 87.4 | Confident | 85.2 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 157.7 | 169.2 | 54 | 0 | 0 | 0 | 0 | 111.3 | D601 F602 | D601-T661 HydrophobicContact CB-CG2 4.06Å; D601-T661 PolarHBondContact OD1-OG1 3.1Å; F602-T661 CarbonylContact O-C 3.57Å; F602-T661 VanDerWaalsContact O-CA 3.24Å; F602-T661 WeakPolarHBondContact O-CA 3.32Å |
| 662 | V | 89.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.2 | 170 | -177.1 | 0 | 0 | 0 | 0 | 107 | F602 V604 V623 R625 M645 L664 | F602-V662 PolarHBondContact N-O 3.49Å; F602-V662 PolarHBondContact O-N 3.46Å; V604-V662 HydrophobicContact CG2-CG2 4.06Å; V623-V662 HydrophobicContact CG1-CG1 4.25Å; V623-V662 HydrophobicContact CG2-CG1 4.36Å; V623-V662 HydrophobicContact CG2-CG2 4.39Å; R625-V662 VanDerWaalsContact NH2-CG1 3.25Å; M645-V662 HydrophobicContact CE-CG2 3.42Å; M645-V662 VanDerWaalsContact CE-CG2 3.42Å; M645-V662 HydrophobicContact SD-CG2 4.45Å; V662-L664 HydrophobicContact CG1-CD2 3.78Å; V662-L664 HydrophobicContact CG1-CG 4.31Å; V662-L664 PolarHBondContact O-N 3.3Å |
| 663 | C | 90.8 | Very high | 86.8 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 123.6 | 175.6 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | M600 R625 C635 | M600-C663 VanDerWaalsContact O-CA 3.31Å; M600-C663 WeakPolarHBondContact O-CA 3.34Å; R625-C663 VanDerWaalsContact CZ-O 3.31Å; R625-C663 PolarHBondContact NH1-O 3.18Å; R625-C663 PolarHBondContact NH2-O 3.08Å; C635-C663 WeakPolarHBondContact CA-SG 3.11Å; C635-C663 HydrophobicContact CB-CB 3.71Å; C635-C663 WeakPolarHBondContact CB-SG 3.47Å; C635-C663 WeakPolarHBondContact SG-CB 3.06Å; C635-C663 CovalentContact SG-SG 2.04Å; C635-C663 PolarHBondContact SG-SG 3.04Å |
| 664 | L | 90.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.5 | -179.2 | -58.1 | 176.1 | 0 | 0 | 0 | 110 | I596 A599 M600 F602 V623 V662 Y670 L697 | I596-L664 HydrophobicContact CD1-CB 4.25Å; I596-L664 HydrophobicContact CD1-CD1 3.91Å; I596-L664 HydrophobicContact CG1-CB 4.14Å; I596-L664 HydrophobicContact CG1-CD1 4.47Å; I596-L664 HydrophobicContact CG2-CB 4.29Å; A599-L664 VanDerWaalsContact CA-O 3.3Å; A599-L664 WeakPolarHBondContact CA-O 3.28Å; M600-L664 PolarHBondContact N-O 2.98Å; M600-L664 PolarHBondContact O-N 3.03Å; F602-L664 HydrophobicContact CB-CD1 4.46Å; F602-L664 HydrophobicContact CD2-CB 3.8Å; F602-L664 HydrophobicContact CD2-CD1 3.97Å; F602-L664 HydrophobicContact CD2-CG 4Å; F602-L664 HydrophobicContact CE2-CB 3.93Å; F602-L664 HydrophobicContact CG-CD1 4.34Å; V623-L664 HydrophobicContact CG1-CD2 4.28Å; V662-L664 HydrophobicContact CG1-CD2 3.78Å; V662-L664 HydrophobicContact CG1-CG 4.31Å; V662-L664 PolarHBondContact O-N 3.3Å; L664-Y670 HydrophobicContact CB-CE2 4Å; L664-Y670 HydrophobicContact CD2-CD1 4.04Å; L664-Y670 HydrophobicContact CD2-CD2 4.02Å; L664-Y670 HydrophobicContact CD2-CE1 3.93Å; L664-Y670 HydrophobicContact CD2-CE2 3.89Å; L664-Y670 HydrophobicContact CD2-CG 4.09Å; L664-Y670 HydrophobicContact CG-CE2 4.45Å; L664-L697 HydrophobicContact CD1-CD1 3.76Å; L664-L697 HydrophobicContact CD1-CD2 4.31Å |
| 665 | E | 88.9 | Confident | 87.9 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | trans | -114 | 148.6 | -172.7 | -62.9 | 168.6 | 134.7 | 0 | 0 | 111 | A599 P629 D630 C635 V668 Y670 | A599-E665 HydrophobicContact CB-CG 4.17Å; P629-E665 WeakPolarHBondContact CA-OE2 3.41Å; D630-E665 PolarHBondContact N-OE1 3.31Å; C635-E665 HydrophobicContact CB-CG 3.92Å; E665-V668 HydrophobicContact CB-CG2 4.22Å; E665-Y670 WeakPolarHBondContact CB-OH 3.29Å; E665-Y670 PolarHBondContact N-OH 2.6Å | ||
| 666 | P | 86.7 | Confident | 88.1 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 153.1 | 178.9 | 29.6 | -35.3 | 0 | 0 | 0 | 111.9 | I596 V668 | I596-P666 VanDerWaalsContact O-CA 3.27Å; I596-P666 WeakPolarHBondContact O-CA 3.43Å; I596-P666 VanDerWaalsContact O-CB 3.28Å; I596-P666 WeakPolarHBondContact O-CB 3.48Å; P666-V668 PolarHBondContact O-N 2.96Å |
| 667 | N | 83 | Confident | 87.9 | Confident | 159 Ų | 159 | 40.8 Ų | 40.8 | 85% | 0.85 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 17.4 | -180 | -51.1 | -62.9 | 0 | 0 | 0 | 115.8 | ||
| 668 | V | 85.4 | Confident | 87.3 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | trans | -109.1 | 128.9 | 175 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | P626 E665 P666 Y670 | P626-V668 HydrophobicContact CG-CG1 3.55Å; E665-V668 HydrophobicContact CB-CG2 4.22Å; P666-V668 PolarHBondContact O-N 2.96Å; V668-Y670 HydrophobicContact CB-CD2 4.37Å; V668-Y670 HydrophobicContact CB-CE1 4.35Å; V668-Y670 HydrophobicContact CB-CE2 3.64Å; V668-Y670 HydrophobicContact CG1-CD1 4.16Å; V668-Y670 HydrophobicContact CG1-CD2 4.25Å; V668-Y670 HydrophobicContact CG1-CE1 3.65Å; V668-Y670 HydrophobicContact CG1-CE2 3.78Å; V668-Y670 HydrophobicContact CG1-CG 4.43Å; V668-Y670 VanDerWaalsContact CG1-CZ 3.44Å; V668-Y670 WeakPolarHBondContact O-CD2 3.19Å | ||
| 669 | Q | 88.1 | Confident | 86.8 | Confident | 74 Ų | 74 | 41.4 Ų | 41.4 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | trans | -84.3 | 113.3 | 171.5 | -178.9 | 179.4 | -63.6 | 0 | 0 | 109.9 | V592 V593 R594 P626 H671 | V592-Q669 HydrophobicContact CG1-CG 3.86Å; V593-Q669 CarbonylContact O-C 3.56Å; V593-Q669 VanDerWaalsContact O-CA 3.32Å; V593-Q669 WeakPolarHBondContact O-CA 3.48Å; R594-Q669 HydrophobicContact CG-CB 4.33Å; R594-Q669 HydrophobicContact CG-CG 3.93Å; R594-Q669 VanDerWaalsContact NH2-OE1 3.1Å; P626-Q669 WeakPolarHBondContact CD-O 3.44Å; Q669-H671 PolarHBondContact NE2-NE2 2.92Å | ||
| 670 | Y | 91.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 147.8 | 174.2 | -56.4 | -84.7 | 0 | 0 | 0 | 110.8 | V593 I596 V623 R625 L664 E665 V668 | V593-Y670 HydrophobicContact CG1-CD2 4.23Å; V593-Y670 PolarHBondContact N-O 3.41Å; V593-Y670 PolarHBondContact O-N 2.84Å; I596-Y670 HydrophobicContact CG1-CE2 4.37Å; V623-Y670 HydrophobicContact CG1-CD1 4.34Å; R625-Y670 HydrophobicContact CB-CD1 4.19Å; R625-Y670 HydrophobicContact CB-CE1 4.12Å; R625-Y670 HydrophobicContact CG-CD1 3.91Å; R625-Y670 HydrophobicContact CG-CE1 3.82Å; L664-Y670 HydrophobicContact CB-CE2 4Å; L664-Y670 HydrophobicContact CD2-CD1 4.04Å; L664-Y670 HydrophobicContact CD2-CD2 4.02Å; L664-Y670 HydrophobicContact CD2-CE1 3.93Å; L664-Y670 HydrophobicContact CD2-CE2 3.89Å; L664-Y670 HydrophobicContact CD2-CG 4.09Å; L664-Y670 HydrophobicContact CG-CE2 4.45Å; E665-Y670 WeakPolarHBondContact CB-OH 3.29Å; E665-Y670 PolarHBondContact N-OH 2.6Å; V668-Y670 HydrophobicContact CB-CD2 4.37Å; V668-Y670 HydrophobicContact CB-CE1 4.35Å; V668-Y670 HydrophobicContact CB-CE2 3.64Å; V668-Y670 HydrophobicContact CG1-CD1 4.16Å; V668-Y670 HydrophobicContact CG1-CD2 4.25Å; V668-Y670 HydrophobicContact CG1-CE1 3.65Å; V668-Y670 HydrophobicContact CG1-CE2 3.78Å; V668-Y670 HydrophobicContact CG1-CG 4.43Å; V668-Y670 VanDerWaalsContact CG1-CZ 3.44Å; V668-Y670 WeakPolarHBondContact O-CD2 3.19Å |
| 671 | H | 92.4 | Very high | 85.2 | Confident | 56 Ų | 56 | 41 Ų | 41 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 113.3 | 169.2 | -74.3 | -83.5 | 0 | 0 | 0 | 109.3 | F591 I624 Q669 | F591-H671 WeakPolarHBondContact O-CA 3.43Å; I624-H671 HydrophobicContact CB-CB 4.11Å; I624-H671 WeakPolarHBondContact CB-O 3.33Å; I624-H671 PolarHBondContact N-O 3.45Å; I624-H671 PolarHBondContact O-N 2.85Å; I624-H671 VanDerWaalsContact O-N 3.07Å; Q669-H671 PolarHBondContact NE2-NE2 2.92Å |
| 672 | I | 92.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 105.9 | 178.9 | -53.6 | -174.2 | 0 | 0 | 0 | 108.3 | F591 V593 V621 V623 L695 L697 | F591-I672 HydrophobicContact CB-CB 4.49Å; F591-I672 PolarHBondContact N-O 3.09Å; F591-I672 PolarHBondContact O-N 2.79Å; V593-I672 HydrophobicContact CG2-CD1 3.73Å; V593-I672 HydrophobicContact CG2-CG1 3.99Å; V621-I672 HydrophobicContact CG1-CG2 3.56Å; V623-I672 HydrophobicContact CG1-CG1 4.44Å; V623-I672 HydrophobicContact CG2-CD1 4.5Å; V623-I672 HydrophobicContact CG2-CG1 4.3Å; V623-I672 HydrophobicContact CG2-CG2 4.4Å; I672-L695 HydrophobicContact CB-CD1 4.27Å; I672-L695 HydrophobicContact CD1-CD2 4.13Å; I672-L695 HydrophobicContact CG2-CD1 3.67Å; I672-L697 HydrophobicContact CD1-CD2 3.98Å |
| 673 | R | 93.3 | Very high | 82.6 | Confident | 106 Ų | 106 | 51 Ų | 51 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.2 | -175.7 | 179.4 | -174.2 | 170.2 | -163.7 | -1.4 | 110.6 | V588 L589 V621 D622 | V588-R673 HydrophobicContact CG1-CG 3.61Å; L589-R673 CarbonylContact O-C 3.52Å; L589-R673 WeakPolarHBondContact O-CA 3.48Å; V621-R673 CarbonylContact C-O 3.4Å; V621-R673 WeakPolarHBondContact CA-O 3.19Å; D622-R673 HydrophobicContact CB-CB 4.27Å; D622-R673 PolarHBondContact N-O 2.79Å; D622-R673 PolarHBondContact O-N 3.1Å |
| 674 | V | 92.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.3 | 178.7 | -166.4 | 0 | 0 | 0 | 0 | 109.5 | V588 L589 F591 L606 V619 R620 V621 F676 L695 | V588-V674 CarbonylContact C-O 3.48Å; V588-V674 VanDerWaalsContact CA-O 3.31Å; V588-V674 WeakPolarHBondContact CA-O 3.46Å; L589-V674 HydrophobicContact CB-CB 4.46Å; L589-V674 PolarHBondContact N-O 2.8Å; L589-V674 PolarHBondContact O-N 3.23Å; F591-V674 HydrophobicContact CD2-CG2 3.87Å; F591-V674 HydrophobicContact CE2-CB 4.44Å; F591-V674 HydrophobicContact CE2-CG2 3.64Å; L606-V674 HydrophobicContact CD2-CG1 4.4Å; V619-V674 HydrophobicContact CG1-CG1 3.86Å; R620-V674 CarbonylContact O-C 3.45Å; R620-V674 WeakPolarHBondContact O-CA 3.29Å; V621-V674 HydrophobicContact CG2-CB 4.42Å; V621-V674 HydrophobicContact CG2-CG1 4.02Å; V621-V674 HydrophobicContact CG2-CG2 4.08Å; V674-F676 HydrophobicContact CB-CE2 4.2Å; V674-F676 HydrophobicContact CG1-CE2 3.68Å; V674-F676 HydrophobicContact CG1-CZ 3.66Å; V674-L695 HydrophobicContact CG2-CD1 4.04Å |
| 675 | A | 91.5 | Very high | 80 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V588 V619 R620 | V588-A675 HydrophobicContact CG2-CB 3.94Å; V619-A675 WeakPolarHBondContact CA-O 3.34Å; R620-A675 HydrophobicContact CB-CB 4.49Å; R620-A675 PolarHBondContact N-O 3.11Å; R620-A675 PolarHBondContact O-N 3.43Å |
| 676 | F | 89.5 | Confident | 79 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 81.9 | -174 | -65.3 | -88.6 | 0 | 0 | 0 | 110.8 | V583 G586 S587 L589 L606 W616 V619 L649 V674 I692 | V583-F676 HydrophobicContact CB-CD2 4.17Å; V583-F676 HydrophobicContact CB-CG 4.22Å; V583-F676 HydrophobicContact CG1-CD2 4.01Å; V583-F676 HydrophobicContact CG1-CE2 4Å; V583-F676 HydrophobicContact CG2-CD1 3.87Å; V583-F676 HydrophobicContact CG2-CD2 4.24Å; V583-F676 HydrophobicContact CG2-CE1 4.05Å; V583-F676 HydrophobicContact CG2-CE2 4.41Å; V583-F676 HydrophobicContact CG2-CG 3.98Å; V583-F676 HydrophobicContact CG2-CZ 4.32Å; G586-F676 PolarHBondContact N-O 2.94Å; S587-F676 PolarHBondContact O-N 3.25Å; L589-F676 HydrophobicContact CD1-CE2 3.88Å; L589-F676 HydrophobicContact CD1-CZ 4.37Å; L589-F676 HydrophobicContact CG-CE2 3.95Å; L606-F676 HydrophobicContact CD2-CZ 4.38Å; W616-F676 HydrophobicContact CZ2-CB 4.03Å; V619-F676 HydrophobicContact CG1-CD1 4.31Å; V619-F676 HydrophobicContact CG1-CE1 4.09Å; V619-F676 HydrophobicContact CG1-CZ 4.5Å; V619-F676 HydrophobicContact CG2-CD1 4Å; V619-F676 HydrophobicContact CG2-CE1 4.25Å; L649-F676 HydrophobicContact CD1-CE1 3.95Å; V674-F676 HydrophobicContact CB-CE2 4.2Å; V674-F676 HydrophobicContact CG1-CE2 3.68Å; V674-F676 HydrophobicContact CG1-CZ 3.66Å; F676-I692 HydrophobicContact CE1-CD1 3.58Å; F676-I692 HydrophobicContact CE1-CG1 4.1Å; F676-I692 HydrophobicContact CE2-CG1 4.27Å; F676-I692 HydrophobicContact CZ-CD1 3.53Å; F676-I692 HydrophobicContact CZ-CG1 3.61Å |
| 677 | N | 82.2 | Confident | 78.3 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -53.9 | -163.3 | -65 | -62.2 | 0 | 0 | 0 | 115.2 | G618 | G618-N677 PolarHBondContact O-ND2 3.02Å |
| 678 | A | 73.3 | Confident | 78.1 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 138.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | Q617 | Q617-A678 PolarHBondContact N-O 3.08Å |
| 679 | Y | 72.5 | Confident | 78.1 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 153.1 | 168.7 | -175.1 | -125 | 0 | 0 | 0 | 110.7 | E585 L612 A614 W616 T681 D685 A688 | E585-Y679 WeakPolarHBondContact OE1-CB 3.21Å; E585-Y679 PolarHBondContact OE1-N 3.34Å; L612-Y679 HydrophobicContact CB-CE2 4.01Å; L612-Y679 HydrophobicContact CD1-CD2 4.08Å; L612-Y679 HydrophobicContact CD1-CE2 3.76Å; L612-Y679 HydrophobicContact CD2-CE2 4.11Å; L612-Y679 HydrophobicContact CG-CE2 4.18Å; A614-Y679 HydrophobicContact CB-CE2 4.02Å; W616-Y679 HydrophobicContact CE3-CD2 4.44Å; Y679-T681 HydrophobicContact CD1-CG2 3.92Å; Y679-T681 HydrophobicContact CE1-CG2 3.8Å; Y679-T681 PolarHBondContact O-N 2.96Å; Y679-D685 HydrophobicContact CD1-CB 4.27Å; Y679-A688 HydrophobicContact CD1-CB 3.53Å; Y679-A688 HydrophobicContact CD2-CB 4.43Å; Y679-A688 HydrophobicContact CE1-CB 3.95Å; Y679-A688 HydrophobicContact CG-CB 3.79Å |
| 680 | Q | 68.2 | Low | 78.1 | Confident | 95 Ų | 95 | 57.3 Ų | 57.3 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -1 | -161.8 | -160.3 | 170.7 | 3.9 | 0 | 0 | 115.5 | A614 A615 Q617 | A614-Q680 HydrophobicContact CB-CB 4.33Å; A615-Q680 VanDerWaalsContact N-OE1 3.15Å; Q617-Q680 HydrophobicContact CG-CB 4.48Å; Q617-Q680 HydrophobicContact CG-CG 4.27Å |
| 681 | T | 60.4 | Low | 78 | Confident | 66 Ų | 66 | 58 Ų | 58 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.2 | -173.6 | 44.1 | 0 | 0 | 0 | 0 | 115.1 | Y679 F683 | Y679-T681 HydrophobicContact CD1-CG2 3.92Å; Y679-T681 HydrophobicContact CE1-CG2 3.8Å; Y679-T681 PolarHBondContact O-N 2.96Å; T681-F683 WeakPolarHBondContact O-CD2 3.31Å; T681-F683 PolarHBondContact O-N 3.38Å; T681-F683 PolarHBondContact OG1-O 3.24Å |
| 682 | G | 59.4 | Low | 78 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 80% | 0.804 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 68.8 | -4.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 683 | F | 62.3 | Low | 77.9 | Confident | 171 Ų | 171 | 55.4 Ų | 55.4 | 75% | 0.75 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -119.2 | 138.6 | 168.5 | -64.3 | -84 | 0 | 0 | 0 | 108 | T681 D685 | T681-F683 WeakPolarHBondContact O-CD2 3.31Å; T681-F683 PolarHBondContact O-N 3.38Å; T681-F683 PolarHBondContact OG1-O 3.24Å; F683-D685 PolarHBondContact O-N 3.18Å |
| 684 | S | 60.9 | Low | 77.7 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | trans | -61.7 | 111.3 | 179.1 | -180 | 0 | 0 | 0 | 0 | 110.8 | E585 | E585-S684 WeakPolarHBondContact OE2-CA 3.45Å; E585-S684 PolarHBondContact OE2-OG 3.04Å; E585-S684 VanDerWaalsContact OE2-OG 3.12Å | ||
| 685 | D | 66.2 | Low | 77.7 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | trans | -99.1 | 98.9 | 176.8 | -173.8 | -10.6 | 0 | 0 | 0 | 108.9 | E585 Y679 F683 S687 A688 | E585-D685 PolarHBondContact OE2-N 3.38Å; Y679-D685 HydrophobicContact CD1-CB 4.27Å; F683-D685 PolarHBondContact O-N 3.18Å; D685-S687 PolarHBondContact O-N 3.26Å; D685-S687 WeakPolarHBondContact OD1-CA 3.18Å; D685-S687 WeakPolarHBondContact OD1-CB 3.11Å; D685-S687 PolarHBondContact OD1-N 3.49Å; D685-S687 PolarHBondContact OD1-OG 3.48Å; D685-S687 PolarHBondContact OD2-OG 3.39Å; D685-A688 HydrophobicContact CB-CB 3.94Å; D685-A688 WeakPolarHBondContact O-CB 3.08Å; D685-A688 PolarHBondContact O-N 3.23Å; D685-A688 PolarHBondContact OD1-N 2.87Å | ||
| 686 | R | 67.9 | Low | 77.7 | Confident | 218 Ų | 218 | 50.1 Ų | 50.1 | 82% | 0.823 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.5 | 178.8 | -64.6 | -175.6 | 177.2 | -170.8 | -1.5 | 113.9 | R584 | R584-R686 PolarHBondContact NH1-O 2.78Š|
| 687 | S | 72.7 | Confident | 77.7 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -19.2 | 174.1 | 77.4 | 0 | 0 | 0 | 0 | 113.3 | D685 S689 | D685-S687 PolarHBondContact O-N 3.26Å; D685-S687 WeakPolarHBondContact OD1-CA 3.18Å; D685-S687 WeakPolarHBondContact OD1-CB 3.11Å; D685-S687 PolarHBondContact OD1-N 3.49Å; D685-S687 PolarHBondContact OD1-OG 3.48Å; D685-S687 PolarHBondContact OD2-OG 3.39Å; S687-S689 PolarHBondContact O-N 2.68Å |
| 688 | A | 77.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | trans | -64.7 | 119.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L612 Y679 D685 | L612-A688 HydrophobicContact CD2-CB 4.25Å; Y679-A688 HydrophobicContact CD1-CB 3.53Å; Y679-A688 HydrophobicContact CD2-CB 4.43Å; Y679-A688 HydrophobicContact CE1-CB 3.95Å; Y679-A688 HydrophobicContact CG-CB 3.79Å; D685-A688 HydrophobicContact CB-CB 3.94Å; D685-A688 WeakPolarHBondContact O-CB 3.08Å; D685-A688 PolarHBondContact O-N 3.23Å; D685-A688 PolarHBondContact OD1-N 2.87Å | ||
| 689 | S | 85.9 | Confident | 78.5 | Confident | 11 Ų | 11 | 44 Ų | 44 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 152.6 | 177.7 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | R582 V583 L612 S687 | R582-S689 PolarHBondContact NH1-OG 2.73Å; V583-S689 WeakPolarHBondContact O-CA 3.49Å; V583-S689 WeakPolarHBondContact O-CB 3.15Å; L612-S689 WeakPolarHBondContact CG-O 3.24Å; S687-S689 PolarHBondContact O-N 2.68Å |
| 690 | M | 87.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.5 | 177.6 | -176.5 | 175.3 | -72.9 | 0 | 0 | 108.6 | R582 V583 Y608 E609 L612 W616 L649 I692 | R582-M690 CarbonylContact C-O 3.52Å; R582-M690 WeakPolarHBondContact CA-O 3.19Å; V583-M690 HydrophobicContact CG2-CB 3.93Å; V583-M690 WeakPolarHBondContact CG2-O 3.39Å; V583-M690 PolarHBondContact N-O 3.36Å; V583-M690 PolarHBondContact O-N 2.86Å; Y608-M690 HydrophobicContact CD2-CE 4.29Å; Y608-M690 HydrophobicContact CD2-CG 4.32Å; Y608-M690 HydrophobicContact CD2-SD 3.67Å; Y608-M690 HydrophobicContact CE2-CE 4.39Å; Y608-M690 HydrophobicContact CE2-SD 4.27Å; Y608-M690 HydrophobicContact CG-SD 4.29Å; E609-M690 WeakPolarHBondContact O-CG 3.34Å; L612-M690 HydrophobicContact CD1-CE 4.27Å; W616-M690 HydrophobicContact CB-CE 3.68Å; W616-M690 HydrophobicContact CE3-CB 4.06Å; W616-M690 HydrophobicContact CE3-CE 4.16Å; W616-M690 HydrophobicContact CG-CE 4.42Å; W616-M690 HydrophobicContact CZ3-CB 4.2Å; L649-M690 HydrophobicContact CB-CE 3.86Å; L649-M690 HydrophobicContact CB-SD 4.01Å; L649-M690 HydrophobicContact CD1-CE 4.44Å; L649-M690 HydrophobicContact CD1-SD 3.52Å; L649-M690 VanDerWaalsContact CD1-SD 3.52Å; L649-M690 HydrophobicContact CG-SD 4.42Å; M690-I692 HydrophobicContact CG-CD1 4.09Å; M690-I692 HydrophobicContact SD-CD1 4.06Å |
| 691 | L | 89.6 | Confident | 79.6 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.8 | 174.7 | -61.5 | -177.1 | 0 | 0 | 0 | 108.5 | F580 R582 Y608 E609 | F580-L691 HydrophobicContact CB-CB 3.89Å; F580-L691 HydrophobicContact CB-CD1 4.49Å; F580-L691 HydrophobicContact CB-CD2 4.16Å; F580-L691 HydrophobicContact CB-CG 4.4Å; F580-L691 HydrophobicContact CD1-CB 3.74Å; F580-L691 HydrophobicContact CD2-CD1 4.1Å; F580-L691 HydrophobicContact CE1-CB 4.33Å; F580-L691 HydrophobicContact CE2-CD1 4.4Å; F580-L691 HydrophobicContact CG-CB 3.85Å; F580-L691 HydrophobicContact CG-CD1 4.19Å; F580-L691 HydrophobicContact CG-CG 4.47Å; R582-L691 HydrophobicContact CB-CD2 3.8Å; R582-L691 HydrophobicContact CG-CD2 4.18Å; Y608-L691 CarbonylContact C-O 3.56Å; Y608-L691 VanDerWaalsContact CA-O 3.29Å; Y608-L691 WeakPolarHBondContact CA-O 3.39Å; Y608-L691 WeakPolarHBondContact CB-O 3.34Å; E609-L691 HydrophobicContact CB-CB 4.36Å; E609-L691 PolarHBondContact N-O 2.66Å; E609-L691 PolarHBondContact O-N 2.97Å |
| 692 | I | 91.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.3 | 173.1 | -49.6 | -56.8 | 0 | 0 | 0 | 107.9 | A551 F580 V581 V583 L589 L606 F676 M690 | A551-I692 HydrophobicContact CB-CB 4.16Å; A551-I692 HydrophobicContact CB-CG2 4Å; A551-I692 WeakPolarHBondContact CB-O 3.18Å; F580-I692 WeakPolarHBondContact CA-O 3.33Å; V581-I692 PolarHBondContact N-O 3.41Å; V581-I692 PolarHBondContact O-N 2.85Å; V583-I692 HydrophobicContact CB-CG1 4.49Å; V583-I692 HydrophobicContact CG1-CG1 3.85Å; V583-I692 HydrophobicContact CG2-CD1 4.1Å; V583-I692 HydrophobicContact CG2-CG1 3.78Å; L589-I692 HydrophobicContact CD1-CB 3.92Å; L589-I692 HydrophobicContact CD1-CG1 3.99Å; L589-I692 HydrophobicContact CD1-CG2 3.83Å; L606-I692 HydrophobicContact CD1-CG2 4.03Å; L606-I692 HydrophobicContact CD2-CD1 4.46Å; L606-I692 HydrophobicContact CG-CG2 4.37Å; F676-I692 HydrophobicContact CE1-CD1 3.58Å; F676-I692 HydrophobicContact CE1-CG1 4.1Å; F676-I692 HydrophobicContact CE2-CG1 4.27Å; F676-I692 HydrophobicContact CZ-CD1 3.53Å; F676-I692 HydrophobicContact CZ-CG1 3.61Å; M690-I692 HydrophobicContact CG-CD1 4.09Å; M690-I692 HydrophobicContact SD-CD1 4.06Å |
| 693 | D | 89.9 | Confident | 81.2 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -72.3 | -178.5 | 169.2 | 69.1 | 0 | 0 | 0 | 109.1 | A551 W575 T576 F580 R607 | A551-D693 WeakPolarHBondContact CB-O 3.19Å; A551-D693 PolarHBondContact N-O 2.78Å; W575-D693 WeakPolarHBondContact CA-OD1 3.39Å; W575-D693 WeakPolarHBondContact CB-OD1 3.05Å; T576-D693 PolarHBondContact N-OD1 2.85Å; T576-D693 PolarHBondContact OG1-OD2 2.9Å; F580-D693 HydrophobicContact CD1-CB 3.98Å; F580-D693 HydrophobicContact CE1-CB 3.95Å; R607-D693 HydrophobicContact CB-CB 3.81Å; R607-D693 WeakPolarHBondContact CB-OD2 3.47Å; R607-D693 WeakPolarHBondContact CD-OD2 3.37Å; R607-D693 PolarHBondContact O-N 3.12Å |
| 694 | S | 91 | Very high | 82 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 164.3 | -174.3 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | Y549 E550 T576 R607 | Y549-S694 CarbonylContact O-C 3.55Å; Y549-S694 VanDerWaalsContact O-CA 3.27Å; Y549-S694 WeakPolarHBondContact O-CA 3.08Å; Y549-S694 WeakPolarHBondContact O-CB 3.47Å; E550-S694 WeakPolarHBondContact OE2-CB 3.39Å; T576-S694 PolarHBondContact OG1-OG 2.86Å; R607-S694 WeakPolarHBondContact CD-OG 2.96Å; R607-S694 PolarHBondContact N-O 3.38Å |
| 695 | L | 92.1 | Very high | 82.6 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130.6 | 169.7 | -175.6 | 147.5 | 0 | 0 | 0 | 109.1 | T548 Y549 F591 V604 V605 L606 I672 V674 L697 | T548-L695 CarbonylContact C-O 3.45Å; T548-L695 WeakPolarHBondContact CA-O 3.05Å; Y549-L695 HydrophobicContact CD2-CD2 4.09Å; Y549-L695 WeakPolarHBondContact CD2-O 3.41Å; Y549-L695 PolarHBondContact N-O 2.03Å; Y549-L695 PolarHBondContact O-N 2.85Å; F591-L695 HydrophobicContact CD1-CB 3.99Å; F591-L695 HydrophobicContact CD2-CB 4.22Å; F591-L695 HydrophobicContact CD2-CD1 3.82Å; F591-L695 HydrophobicContact CE1-CB 3.89Å; F591-L695 HydrophobicContact CE2-CB 4.14Å; F591-L695 HydrophobicContact CE2-CD1 4.12Å; F591-L695 HydrophobicContact CG-CB 4.15Å; F591-L695 HydrophobicContact CG-CD1 4.25Å; F591-L695 HydrophobicContact CZ-CB 3.97Å; V604-L695 HydrophobicContact CG1-CD1 4.02Å; V604-L695 HydrophobicContact CG1-CD2 4.32Å; V604-L695 HydrophobicContact CG1-CG 4.21Å; V605-L695 CarbonylContact O-C 3.53Å; V605-L695 WeakPolarHBondContact O-CA 3.2Å; L606-L695 HydrophobicContact CD1-CB 4.36Å; I672-L695 HydrophobicContact CB-CD1 4.27Å; I672-L695 HydrophobicContact CD1-CD2 4.13Å; I672-L695 HydrophobicContact CG2-CD1 3.67Å; V674-L695 HydrophobicContact CG2-CD1 4.04Å; L695-L697 HydrophobicContact CD2-CD2 4.08Å; L695-L697 HydrophobicContact CD2-CG 4.32Å |
| 696 | V | 90.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.8 | -176.4 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | D545 L547 T548 V605 L698 | D545-V696 HydrophobicContact CB-CG1 3.72Å; L547-V696 WeakPolarHBondContact O-CA 3.31Å; T548-V696 HydrophobicContact CG2-CG2 4.18Å; T548-V696 WeakPolarHBondContact OG1-CG2 3.36Å; V605-V696 HydrophobicContact CB-CB 4.13Å; V605-V696 WeakPolarHBondContact CB-O 3.31Å; V605-V696 HydrophobicContact CG1-CB 4.47Å; V605-V696 PolarHBondContact N-O 3.03Å; V605-V696 PolarHBondContact O-N 3.4Å; V696-L698 HydrophobicContact CG1-CD2 4.04Å; V696-L698 HydrophobicContact CG1-CG 4.44Å |
| 697 | L | 90 | Very high | 83.8 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.3 | 174.4 | -59.8 | 175.7 | 0 | 0 | 0 | 110.6 | L547 Y549 V593 I596 F602 H603 V604 L664 I672 L695 | L547-L697 HydrophobicContact CB-CB 3.9Å; L547-L697 HydrophobicContact CD1-CB 4.16Å; L547-L697 PolarHBondContact O-N 2.93Å; Y549-L697 HydrophobicContact CE2-CD1 3.9Å; Y549-L697 HydrophobicContact CE2-CG 4.17Å; V593-L697 HydrophobicContact CG1-CD1 3.74Å; V593-L697 HydrophobicContact CG2-CD1 4.18Å; I596-L697 HydrophobicContact CD1-CD1 3.93Å; F602-L697 HydrophobicContact CB-CB 4.43Å; F602-L697 HydrophobicContact CD1-CB 4Å; F602-L697 HydrophobicContact CG-CB 4.44Å; H603-L697 WeakPolarHBondContact O-CA 3.03Å; V604-L697 HydrophobicContact CB-CD2 4.5Å; V604-L697 HydrophobicContact CG2-CD2 3.9Å; L664-L697 HydrophobicContact CD1-CD1 3.76Å; L664-L697 HydrophobicContact CD1-CD2 4.31Å; I672-L697 HydrophobicContact CD1-CD2 3.98Å; L695-L697 HydrophobicContact CD2-CD2 4.08Å; L695-L697 HydrophobicContact CD2-CG 4.32Å |
| 698 | L | 87.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.2 | -176.4 | -67.9 | -174.3 | 0 | 0 | 0 | 113.6 | L544 F602 H603 V605 V696 M731 | L544-L698 HydrophobicContact CB-CD2 4.42Å; L544-L698 VanDerWaalsContact O-CD2 3.23Å; L544-L698 WeakPolarHBondContact O-CD2 3.1Å; F602-L698 CarbonylContact C-O 3.59Å; F602-L698 VanDerWaalsContact CA-O 3.24Å; F602-L698 WeakPolarHBondContact CA-O 3.29Å; H603-L698 HydrophobicContact CB-CB 4.27Å; H603-L698 PolarHBondContact N-O 2.83Å; H603-L698 PolarHBondContact O-N 2.03Å; V605-L698 HydrophobicContact CG2-CD1 3.72Å; V605-L698 HydrophobicContact CG2-CG 3.9Å; V696-L698 HydrophobicContact CG1-CD2 4.04Å; V696-L698 HydrophobicContact CG1-CG 4.44Å; L698-M731 HydrophobicContact CD1-CE 4.28Å; L698-M731 HydrophobicContact CD1-CG 3.99Å; L698-M731 HydrophobicContact CD1-SD 3.57Å; L698-M731 VanDerWaalsContact CD1-SD 3.57Å; L698-M731 HydrophobicContact CD2-CE 3.62Å; L698-M731 HydrophobicContact CD2-SD 3.63Å; L698-M731 HydrophobicContact CG-SD 4Å |
| 699 | P | 86.1 | Confident | 83 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 137.6 | 170 | -33.4 | 41.1 | 0 | 0 | 0 | 114.6 | M600 F602 I704 F754 | M600-P699 HydrophobicContact SD-CB 3.63Å; M600-P699 HydrophobicContact SD-CG 3.9Å; F602-P699 HydrophobicContact CD1-CG 4.08Å; F602-P699 HydrophobicContact CE1-CG 3.76Å; P699-I704 HydrophobicContact CB-CD1 4.23Å; P699-F754 HydrophobicContact CB-CD1 4.13Å; P699-F754 HydrophobicContact CB-CE1 4.33Å; P699-F754 HydrophobicContact CG-CD1 3.69Å; P699-F754 HydrophobicContact CG-CD2 4.09Å; P699-F754 HydrophobicContact CG-CE1 3.63Å; P699-F754 HydrophobicContact CG-CE2 4.08Å; P699-F754 HydrophobicContact CG-CG 3.93Å; P699-F754 HydrophobicContact CG-CZ 3.85Å |
| 700 | S | 83.6 | Confident | 81.6 | Confident | 17 Ų | 17 | 27.2 Ų | 27.2 | 12% | 0.119 | 19% | 0.191 | C | C | . | . | trans | -68.8 | 128.7 | 170.7 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | D601 S702 S703 I704 | D601-S700 PolarHBondContact O-N 3.31Å; S700-S702 PolarHBondContact O-N 2.89Å; S700-S702 VanDerWaalsContact O-N 3.13Å; S700-S702 PolarHBondContact OG-OG 2.86Å; S700-S702 VanDerWaalsContact OG-OG 3.08Å; S700-S703 PolarHBondContact O-N 2.91Å; S700-S703 PolarHBondContact O-OG 2.95Å; S700-I704 WeakPolarHBondContact O-CG1 2.9Å | ||
| 701 | L | 79.4 | Confident | 80.3 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -62 | -22.9 | -177.7 | -61.9 | 176.3 | 0 | 0 | 0 | 113.5 | S703 I704 F707 Y721 | L701-S703 VanDerWaalsContact C-N 3.32Å; L701-I704 HydrophobicContact CD2-CD1 4.14Å; L701-F707 HydrophobicContact CD2-CE2 4.21Å; L701-Y721 HydrophobicContact CD1-CD1 4.2Å; L701-Y721 HydrophobicContact CD1-CE1 3.87Å; L701-Y721 HydrophobicContact CD2-CD1 4.36Å; L701-Y721 HydrophobicContact CD2-CE1 3.66Å; L701-Y721 HydrophobicContact CG-CE1 4.45Å |
| 702 | S | 76.8 | Confident | 79.2 | Confident | 86 Ų | 86 | 41.2 Ų | 41.2 | 60% | 0.601 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -75.4 | -17.2 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | S700 | S700-S702 PolarHBondContact O-N 2.89Å; S700-S702 VanDerWaalsContact O-N 3.13Å; S700-S702 PolarHBondContact OG-OG 2.86Å; S700-S702 VanDerWaalsContact OG-OG 3.08Å |
| 703 | S | 76.3 | Confident | 78.2 | Confident | 53 Ų | 53 | 44.9 Ų | 44.9 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -94.2 | 3.3 | 177.5 | 28.4 | 0 | 0 | 0 | 0 | 113.7 | S700 L701 | S700-S703 PolarHBondContact O-N 2.91Å; S700-S703 PolarHBondContact O-OG 2.95Å; L701-S703 VanDerWaalsContact C-N 3.32Å |
| 704 | I | 79.4 | Confident | 77.2 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | trans | -96.2 | 125.2 | -169.6 | -63.9 | -174.5 | 0 | 0 | 0 | 110.8 | P699 S700 L701 V706 F707 S708 V750 S753 | P699-I704 HydrophobicContact CB-CD1 4.23Å; S700-I704 WeakPolarHBondContact O-CG1 2.9Å; L701-I704 HydrophobicContact CD2-CD1 4.14Å; I704-V706 HydrophobicContact CG2-CB 4.42Å; I704-V706 PolarHBondContact O-N 2.99Å; I704-F707 HydrophobicContact CB-CD2 4.17Å; I704-F707 HydrophobicContact CG2-CD2 3.95Å; I704-F707 HydrophobicContact CG2-CE2 4.22Å; I704-F707 PolarHBondContact O-N 3.24Å; I704-S708 PolarHBondContact O-OG 2.9Å; I704-V750 HydrophobicContact CD1-CG1 3.71Å; I704-V750 HydrophobicContact CG2-CG1 4.14Å; I704-V750 HydrophobicContact CG2-CG2 4.47Å; I704-S753 VanDerWaalsContact CG2-OG 3.27Å; I704-S753 WeakPolarHBondContact CG2-OG 3.39Å | ||
| 705 | A | 74.1 | Confident | 76.6 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -64.6 | -33.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F707 S708 | A705-F707 PolarHBondContact O-N 2.88Å; A705-F707 VanDerWaalsContact O-N 3.12Å; A705-S708 PolarHBondContact O-N 2.04Å |
| 706 | V | 78.2 | Confident | 76.1 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.055 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -58.5 | -28.8 | -179.3 | 176.9 | 0 | 0 | 0 | 0 | 113 | I704 R717 P749 | I704-V706 HydrophobicContact CG2-CB 4.42Å; I704-V706 PolarHBondContact O-N 2.99Å; V706-R717 PolarHBondContact O-NE 2.73Å; V706-R717 VanDerWaalsContact O-NE 3.12Å; V706-R717 PolarHBondContact O-NH2 3Å; V706-R717 VanDerWaalsContact O-NH2 3.09Å; V706-P749 HydrophobicContact CG1-CB 4.37Å; V706-P749 HydrophobicContact CG2-CB 4.07Å; V706-P749 WeakPolarHBondContact CG2-O 3.47Å |
| 707 | F | 81.4 | Confident | 75.8 | Confident | 20 Ų | 20 | 59 Ų | 59 | 9% | 0.088 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -97.9 | 7.9 | 178.8 | -56.3 | -49.4 | 0 | 0 | 0 | 113.7 | L701 I704 A705 R717 R718 Y721 V750 | L701-F707 HydrophobicContact CD2-CE2 4.21Å; I704-F707 HydrophobicContact CB-CD2 4.17Å; I704-F707 HydrophobicContact CG2-CD2 3.95Å; I704-F707 HydrophobicContact CG2-CE2 4.22Å; I704-F707 PolarHBondContact O-N 3.24Å; A705-F707 PolarHBondContact O-N 2.88Å; A705-F707 VanDerWaalsContact O-N 3.12Å; F707-R717 HydrophobicContact CD1-CB 4.34Å; F707-R717 HydrophobicContact CE1-CB 4.31Å; F707-R718 HydrophobicContact CB-CB 4.26Å; F707-R718 HydrophobicContact CD1-CB 3.69Å; F707-R718 HydrophobicContact CD1-CG 4.3Å; F707-R718 HydrophobicContact CE1-CB 4.34Å; F707-R718 HydrophobicContact CG-CB 4.16Å; F707-R718 HydrophobicContact CG-CG 4.39Å; F707-Y721 HydrophobicContact CE1-CG 4.33Å; F707-Y721 HydrophobicContact CE2-CD1 4.48Å; F707-Y721 HydrophobicContact CE2-CG 4.38Å; F707-Y721 HydrophobicContact CZ-CD1 4.11Å; F707-Y721 AromaticContact CZ-CD2 3.84Å; F707-Y721 HydrophobicContact CZ-CD2 3.84Å; F707-Y721 AromaticContact CZ-CG 3.6Å; F707-Y721 HydrophobicContact CZ-CG 3.6Å; F707-V750 HydrophobicContact CE1-CG2 4.33Å; F707-V750 HydrophobicContact CE2-CG1 4.47Å; F707-V750 HydrophobicContact CE2-CG2 3.5Å; F707-V750 VanDerWaalsContact CE2-CG2 3.5Å; F707-V750 HydrophobicContact CZ-CG2 3.36Å |
| 708 | S | 68 | Low | 75.4 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | trans | -126.5 | 104.7 | -170.7 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | I704 A705 | I704-S708 PolarHBondContact O-OG 2.9Å; A705-S708 PolarHBondContact O-N 2.04Å | ||
| 709 | G | 63.9 | Low | 75.3 | Confident | 49 Ų | 49 | 71 Ų | 71 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 178.1 | 166.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R711 | G709-R711 VanDerWaalsContact C-N 3.33Å; G709-R711 PolarHBondContact O-N 3.19Å |
| 710 | P | 57.7 | Low | 75.3 | Confident | 145 Ų | 145 | 72.5 Ų | 72.5 | 94% | 0.942 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -86.3 | 17.5 | -171.8 | 35.5 | -37.6 | 0 | 0 | 0 | 115.5 | ||
| 711 | R | 60.6 | Low | 75.5 | Confident | 179 Ų | 179 | 71.9 Ų | 71.9 | 68% | 0.675 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -116.2 | 149.5 | 177.7 | -68.8 | -172.5 | 176 | -177.5 | -2.8 | 111.3 | G709 D713 A714 | G709-R711 VanDerWaalsContact C-N 3.33Å; G709-R711 PolarHBondContact O-N 3.19Å; R711-D713 HydrophobicContact CB-CB 4.42Å; R711-D713 WeakPolarHBondContact CB-OD2 3.21Å; R711-D713 WeakPolarHBondContact CD-OD2 3.3Å; R711-D713 PolarHBondContact O-N 2.04Å; R711-D713 VanDerWaalsContact O-N 3.14Å; R711-A714 PolarHBondContact O-N 1.75Å; R711-A714 VanDerWaalsContact O-N 3.09Å |
| 712 | D | 66.1 | Low | 75.8 | Confident | 131 Ų | 131 | 75 Ų | 75 | 70% | 0.701 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -53.5 | -33.6 | 175.7 | -77.2 | -36.9 | 0 | 0 | 0 | 112.2 | A714 Q715 Y716 | D712-A714 PolarHBondContact O-N 2.7Å; D712-A714 VanDerWaalsContact O-N 3.16Å; D712-Q715 PolarHBondContact O-N 3.5Å; D712-Q715 VanDerWaalsContact O-N 3.12Å; D712-Y716 PolarHBondContact O-N 2.94Å |
| 713 | D | 70 | Confident | 76.3 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -49.7 | -38.9 | 176.2 | -27.4 | -30 | 0 | 0 | 0 | 113.3 | R711 Y716 R717 | R711-D713 HydrophobicContact CB-CB 4.42Å; R711-D713 WeakPolarHBondContact CB-OD2 3.21Å; R711-D713 WeakPolarHBondContact CD-OD2 3.3Å; R711-D713 PolarHBondContact O-N 2.04Å; R711-D713 VanDerWaalsContact O-N 3.14Å; D713-Y716 PolarHBondContact O-N 3.05Å; D713-R717 WeakPolarHBondContact O-CG 3.46Å; D713-R717 PolarHBondContact O-N 2.86Å; D713-R717 VanDerWaalsContact O-N 3.07Å |
| 714 | A | 69.8 | Low | 77 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 3% | 0.033 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -73.3 | -38.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R711 D712 R718 | R711-A714 PolarHBondContact O-N 1.75Å; R711-A714 VanDerWaalsContact O-N 3.09Å; D712-A714 PolarHBondContact O-N 2.7Å; D712-A714 VanDerWaalsContact O-N 3.16Å; A714-R718 PolarHBondContact O-N 3.21Å |
| 715 | Q | 77.4 | Confident | 77.4 | Confident | 110 Ų | 110 | 83.8 Ų | 83.8 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69 | -36.6 | 172.5 | -67.8 | -166.8 | 17.5 | 0 | 0 | 111.7 | D712 R718 R719 | D712-Q715 PolarHBondContact O-N 3.5Å; D712-Q715 VanDerWaalsContact O-N 3.12Å; Q715-R718 PolarHBondContact O-N 3.17Å; Q715-R719 WeakPolarHBondContact O-CG 3.18Å; Q715-R719 PolarHBondContact O-N 3.17Å |
| 716 | Y | 81.3 | Confident | 77.9 | Confident | 136 Ų | 136 | 80.8 Ų | 80.8 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.5 | -52.5 | 176.8 | -177 | -88.8 | 0 | 0 | 0 | 110.9 | D712 D713 R718 R719 E720 | D712-Y716 PolarHBondContact O-N 2.94Å; D713-Y716 PolarHBondContact O-N 3.05Å; Y716-R718 VanDerWaalsContact C-N 3.3Å; Y716-R718 PolarHBondContact O-N 2.81Å; Y716-R719 PolarHBondContact O-N 2.8Å; Y716-R719 VanDerWaalsContact O-N 3.14Å; Y716-E720 HydrophobicContact CD1-CG 4.43Å; Y716-E720 HydrophobicContact CE1-CG 3.86Å; Y716-E720 VanDerWaalsContact CE1-OE1 3.31Å; Y716-E720 WeakPolarHBondContact CE1-OE1 3.37Å; Y716-E720 VanDerWaalsContact CE1-OE2 3.27Å; Y716-E720 WeakPolarHBondContact CE1-OE2 3.47Å; Y716-E720 PolarHBondContact O-N 3.09Å; Y716-E720 PolarHBondContact OH-OE1 2.77Å |
| 717 | R | 83.6 | Confident | 78.2 | Confident | 51 Ų | 51 | 82.6 Ų | 82.6 | 19% | 0.192 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -54.9 | -42.6 | 176 | -72.5 | -173.3 | -63.1 | -97 | 7.6 | 112.9 | V706 F707 D713 E720 Y721 L746 | V706-R717 PolarHBondContact O-NE 2.73Å; V706-R717 VanDerWaalsContact O-NE 3.12Å; V706-R717 PolarHBondContact O-NH2 3Å; V706-R717 VanDerWaalsContact O-NH2 3.09Å; F707-R717 HydrophobicContact CD1-CB 4.34Å; F707-R717 HydrophobicContact CE1-CB 4.31Å; D713-R717 WeakPolarHBondContact O-CG 3.46Å; D713-R717 PolarHBondContact O-N 2.86Å; D713-R717 VanDerWaalsContact O-N 3.07Å; R717-E720 PolarHBondContact O-N 2.95Å; R717-Y721 PolarHBondContact O-N 3.43Å; R717-L746 HydrophobicContact CB-CD2 4.07Å; R717-L746 HydrophobicContact CG-CD2 4.01Å; R717-L746 WeakPolarHBondContact O-CD1 3.23Å |
| 718 | R | 82.9 | Confident | 78.2 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 178.6 | -176.5 | 176.1 | 171.9 | 156.9 | 4.7 | 112.1 | F707 A714 Q715 Y716 E720 Y721 E722 | F707-R718 HydrophobicContact CB-CB 4.26Å; F707-R718 HydrophobicContact CD1-CB 3.69Å; F707-R718 HydrophobicContact CD1-CG 4.3Å; F707-R718 HydrophobicContact CE1-CB 4.34Å; F707-R718 HydrophobicContact CG-CB 4.16Å; F707-R718 HydrophobicContact CG-CG 4.39Å; A714-R718 PolarHBondContact O-N 3.21Å; Q715-R718 PolarHBondContact O-N 3.17Å; Y716-R718 VanDerWaalsContact C-N 3.3Å; Y716-R718 PolarHBondContact O-N 2.81Å; R718-E720 VanDerWaalsContact C-N 3.34Å; R718-E720 PolarHBondContact O-N 3.45Å; R718-Y721 PolarHBondContact O-N 2.83Å; R718-E722 IonicContact CZ-OE1 3.64Å; R718-E722 VanDerWaalsContact CZ-OE1 3.27Å; R718-E722 IonicContact NE-OE1 2.74Å; R718-E722 PolarHBondContact NE-OE1 2.91Å; R718-E722 IonicContact NE-OE2 3.8Å; R718-E722 IonicContact NH2-OE1 3.16Å; R718-E722 PolarHBondContact NH2-OE1 3.17Å; R718-E722 PolarHBondContact O-N 2.9Å |
| 719 | R | 84.9 | Confident | 79 | Confident | 152 Ų | 152 | 84.9 Ų | 84.9 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 178.2 | -69.5 | 178.8 | -145.7 | 169.4 | 8.3 | 111.7 | Q715 Y716 H723 | Q715-R719 WeakPolarHBondContact O-CG 3.18Å; Q715-R719 PolarHBondContact O-N 3.17Å; Y716-R719 PolarHBondContact O-N 2.8Å; Y716-R719 VanDerWaalsContact O-N 3.14Å; R719-H723 WeakPolarHBondContact O-CB 3.16Å; R719-H723 PolarHBondContact O-N 3.27Å |
| 720 | E | 86.5 | Confident | 79.6 | Confident | 34 Ų | 34 | 82.7 Ų | 82.7 | 16% | 0.159 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 173.5 | -72.9 | -169.8 | 140.2 | 0 | 0 | 111.7 | Y716 R717 R718 E722 H723 F724 P742 L746 | Y716-E720 HydrophobicContact CD1-CG 4.43Å; Y716-E720 HydrophobicContact CE1-CG 3.86Å; Y716-E720 VanDerWaalsContact CE1-OE1 3.31Å; Y716-E720 WeakPolarHBondContact CE1-OE1 3.37Å; Y716-E720 VanDerWaalsContact CE1-OE2 3.27Å; Y716-E720 WeakPolarHBondContact CE1-OE2 3.47Å; Y716-E720 PolarHBondContact O-N 3.09Å; Y716-E720 PolarHBondContact OH-OE1 2.77Å; R717-E720 PolarHBondContact O-N 2.95Å; R718-E720 VanDerWaalsContact C-N 3.34Å; R718-E720 PolarHBondContact O-N 3.45Å; E720-E722 VanDerWaalsContact C-N 3.33Å; E720-E722 PolarHBondContact O-N 3.11Å; E720-H723 PolarHBondContact O-N 2.99Å; E720-F724 HydrophobicContact CB-CD2 4.44Å; E720-F724 WeakPolarHBondContact O-CD2 3.07Å; E720-F724 PolarHBondContact O-N 3.16Å; E720-P742 HydrophobicContact CB-CB 4.24Å; E720-L746 HydrophobicContact CB-CD1 4.1Å |
| 721 | Y | 86.3 | Confident | 80.7 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -43.1 | -179.9 | -171.5 | -89.6 | 0 | 0 | 0 | 113.2 | L544 L701 F707 R717 R718 C726 R727 L746 L747 V750 | L544-Y721 VanDerWaalsContact CD1-OH 3.29Å; L544-Y721 WeakPolarHBondContact CD1-OH 3.08Å; L544-Y721 VanDerWaalsContact CD2-OH 3.28Å; L544-Y721 WeakPolarHBondContact CD2-OH 3.48Å; L701-Y721 HydrophobicContact CD1-CD1 4.2Å; L701-Y721 HydrophobicContact CD1-CE1 3.87Å; L701-Y721 HydrophobicContact CD2-CD1 4.36Å; L701-Y721 HydrophobicContact CD2-CE1 3.66Å; L701-Y721 HydrophobicContact CG-CE1 4.45Å; F707-Y721 HydrophobicContact CE1-CG 4.33Å; F707-Y721 HydrophobicContact CE2-CD1 4.48Å; F707-Y721 HydrophobicContact CE2-CG 4.38Å; F707-Y721 HydrophobicContact CZ-CD1 4.11Å; F707-Y721 AromaticContact CZ-CD2 3.84Å; F707-Y721 HydrophobicContact CZ-CD2 3.84Å; F707-Y721 AromaticContact CZ-CG 3.6Å; F707-Y721 HydrophobicContact CZ-CG 3.6Å; R717-Y721 PolarHBondContact O-N 3.43Å; R718-Y721 PolarHBondContact O-N 2.83Å; Y721-C726 HydrophobicContact CD2-CB 3.74Å; Y721-C726 HydrophobicContact CE1-CB 4.34Å; Y721-C726 HydrophobicContact CE2-CB 3.53Å; Y721-C726 HydrophobicContact CG-CB 4.24Å; Y721-C726 PolarHBondContact O-N 3.07Å; Y721-C726 PolarHBondContact O-SG 2.91Å; Y721-R727 HydrophobicContact CE1-CB 4.26Å; Y721-L746 HydrophobicContact CD2-CB 4.03Å; Y721-L747 HydrophobicContact CE2-CD2 4.08Å; Y721-V750 HydrophobicContact CD2-CG2 4.42Å; Y721-V750 HydrophobicContact CE2-CG2 4.29Å |
| 722 | E | 86.7 | Confident | 81.4 | Confident | 95 Ų | 95 | 74.4 Ų | 74.4 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 176.5 | -69.5 | 173.2 | 173.1 | 0 | 0 | 111.6 | R718 E720 Q725 | R718-E722 IonicContact CZ-OE1 3.64Å; R718-E722 VanDerWaalsContact CZ-OE1 3.27Å; R718-E722 IonicContact NE-OE1 2.74Å; R718-E722 PolarHBondContact NE-OE1 2.91Å; R718-E722 IonicContact NE-OE2 3.8Å; R718-E722 IonicContact NH2-OE1 3.16Å; R718-E722 PolarHBondContact NH2-OE1 3.17Å; R718-E722 PolarHBondContact O-N 2.9Å; E720-E722 VanDerWaalsContact C-N 3.33Å; E720-E722 PolarHBondContact O-N 3.11Å; E722-Q725 PolarHBondContact O-N 2.81Å |
| 723 | H | 88.1 | Confident | 82 | Confident | 139 Ų | 139 | 70.5 Ų | 70.5 | 64% | 0.644 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | -178.6 | -179.4 | 67.8 | 0 | 0 | 0 | 113.4 | R719 E720 Q725 | R719-H723 WeakPolarHBondContact O-CB 3.16Å; R719-H723 PolarHBondContact O-N 3.27Å; E720-H723 PolarHBondContact O-N 2.99Å; H723-Q725 VanDerWaalsContact C-N 3.26Å; H723-Q725 PolarHBondContact O-N 2.83Å |
| 724 | F | 89.3 | Confident | 82.3 | Confident | 72 Ų | 72 | 68.5 Ų | 68.5 | 32% | 0.316 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 11 | 178.9 | -69.9 | -78.4 | 0 | 0 | 0 | 113.6 | E720 C726 P740 P742 C743 | E720-F724 HydrophobicContact CB-CD2 4.44Å; E720-F724 WeakPolarHBondContact O-CD2 3.07Å; E720-F724 PolarHBondContact O-N 3.16Å; F724-C726 PolarHBondContact O-N 3.25Å; F724-C726 VanDerWaalsContact O-N 3.13Å; F724-P740 HydrophobicContact CB-CB 4.22Å; F724-P740 HydrophobicContact CB-CG 4.38Å; F724-P740 HydrophobicContact CD1-CB 3.77Å; F724-P740 HydrophobicContact CD1-CG 4.22Å; F724-P740 HydrophobicContact CG-CB 4.21Å; F724-P742 HydrophobicContact CD2-CB 3.72Å; F724-P742 HydrophobicContact CD2-CG 3.72Å; F724-P742 HydrophobicContact CE2-CB 4.01Å; F724-P742 HydrophobicContact CE2-CG 3.53Å; F724-P742 HydrophobicContact CG-CB 4.38Å; F724-P742 HydrophobicContact CG-CG 4.36Å; F724-P742 HydrophobicContact CZ-CG 3.99Å; F724-C743 VanDerWaalsContact CB-SG 3.57Å; F724-C743 PolarHBondContact O-SG 3.34Å |
| 725 | Q | 88.1 | Confident | 82.6 | Confident | 116 Ų | 116 | 70.9 Ų | 70.9 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34.4 | 174.9 | -60.3 | 176.7 | -87 | 0 | 0 | 113.8 | E722 H723 R727 E728 L729 | E722-Q725 PolarHBondContact O-N 2.81Å; H723-Q725 VanDerWaalsContact C-N 3.26Å; H723-Q725 PolarHBondContact O-N 2.83Å; Q725-R727 PolarHBondContact O-N 3.05Å; Q725-R727 VanDerWaalsContact O-N 3.1Å; Q725-E728 HydrophobicContact CB-CB 4.47Å; Q725-E728 PolarHBondContact NE2-OE2 2.77Å; Q725-E728 PolarHBondContact O-N 2.74Å; Q725-L729 PolarHBondContact O-N 3.33Å; Q725-L729 VanDerWaalsContact O-N 3.15Å |
| 726 | C | 86.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.2 | -32.7 | -167.7 | -55 | 0 | 0 | 0 | 0 | 113.7 | Y721 F724 A730 C743 L747 | Y721-C726 HydrophobicContact CD2-CB 3.74Å; Y721-C726 HydrophobicContact CE1-CB 4.34Å; Y721-C726 HydrophobicContact CE2-CB 3.53Å; Y721-C726 HydrophobicContact CG-CB 4.24Å; Y721-C726 PolarHBondContact O-N 3.07Å; Y721-C726 PolarHBondContact O-SG 2.91Å; F724-C726 PolarHBondContact O-N 3.25Å; F724-C726 VanDerWaalsContact O-N 3.13Å; C726-A730 WeakPolarHBondContact O-CB 3.22Å; C726-A730 PolarHBondContact O-N 3.1Å; C726-C743 WeakPolarHBondContact CA-SG 3.39Å; C726-C743 HydrophobicContact CB-CB 3.7Å; C726-C743 WeakPolarHBondContact CB-SG 3.34Å; C726-C743 WeakPolarHBondContact SG-CA 3.41Å; C726-C743 WeakPolarHBondContact SG-CB 3.48Å; C726-C743 CovalentContact SG-SG 2.04Å; C726-C743 PolarHBondContact SG-SG 2.71Å; C726-L747 HydrophobicContact CB-CD2 4.47Å |
| 727 | R | 83.5 | Confident | 82.1 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 18% | 0.177 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 172.8 | 176.1 | 176.6 | 170.9 | 156.6 | -3.3 | 112.1 | L544 H603 D657 Y721 Q725 M731 | L544-R727 HydrophobicContact CD2-CG 4.41Å; H603-R727 PolarHBondContact CD2-NH2 3.26Å; H603-R727 VanDerWaalsContact CD2-NH2 3.32Å; H603-R727 PolarHBondContact NE2-NH1 3.09Å; H603-R727 PolarHBondContact NE2-NH2 3.15Å; D657-R727 VanDerWaalsContact CG-NH2 3.27Å; D657-R727 IonicContact OD1-NH2 3.62Å; D657-R727 PolarHBondContact OD1-NH2 2.79Å; D657-R727 VanDerWaalsContact OD1-NH2 3.08Å; D657-R727 IonicContact OD2-CZ 2.8Å; D657-R727 IonicContact OD2-NE 3.55Å; D657-R727 IonicContact OD2-NH2 2.97Å; D657-R727 PolarHBondContact OD2-NH2 2.65Å; Y721-R727 HydrophobicContact CE1-CB 4.26Å; Q725-R727 PolarHBondContact O-N 3.05Å; Q725-R727 VanDerWaalsContact O-N 3.1Å; R727-M731 WeakPolarHBondContact O-CG 3.38Å; R727-M731 PolarHBondContact O-N 3.03Å; R727-M731 VanDerWaalsContact O-N 3.11Å |
| 728 | E | 82.3 | Confident | 82.1 | Confident | 100 Ų | 100 | 72 Ų | 72 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.3 | -41.7 | -176.7 | -66.4 | -175.3 | 129.4 | 0 | 0 | 111.5 | Q725 A730 M731 Q732 | Q725-E728 HydrophobicContact CB-CB 4.47Å; Q725-E728 PolarHBondContact NE2-OE2 2.77Å; Q725-E728 PolarHBondContact O-N 2.74Å; E728-A730 VanDerWaalsContact C-N 3.34Å; E728-A730 PolarHBondContact O-N 3.36Å; E728-M731 PolarHBondContact O-N 3.39Å; E728-M731 VanDerWaalsContact O-N 3.15Å; E728-Q732 WeakPolarHBondContact O-CG 3.09Å; E728-Q732 PolarHBondContact O-N 2.83Å |
| 729 | L | 83.3 | Confident | 81.8 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 177.3 | -65.7 | 174 | 0 | 0 | 0 | 111.8 | Q725 Q732 T734 L739 P740 | Q725-L729 PolarHBondContact O-N 3.33Å; Q725-L729 VanDerWaalsContact O-N 3.15Å; L729-Q732 PolarHBondContact O-N 2.81Å; L729-T734 WeakPolarHBondContact O-CB 3.03Å; L729-T734 PolarHBondContact O-N 3.22Å; L729-T734 VanDerWaalsContact O-N 3.15Å; L729-T734 PolarHBondContact O-OG1 3.08Å; L729-L739 HydrophobicContact CB-CD2 3.52Å; L729-L739 HydrophobicContact CD1-CD2 4.09Å; L729-L739 HydrophobicContact CG-CD2 4.4Å; L729-P740 VanDerWaalsContact CD1-CD 3.41Å; L729-P740 HydrophobicContact CD1-CG 3.89Å |
| 730 | A | 77.6 | Confident | 81.8 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L544 C726 E728 Q732 L733 | L544-A730 HydrophobicContact CB-CB 4.44Å; C726-A730 WeakPolarHBondContact O-CB 3.22Å; C726-A730 PolarHBondContact O-N 3.1Å; E728-A730 VanDerWaalsContact C-N 3.34Å; E728-A730 PolarHBondContact O-N 3.36Å; A730-Q732 VanDerWaalsContact C-N 3.3Å; A730-Q732 PolarHBondContact O-N 3.4Å; A730-L733 PolarHBondContact O-N 2.7Å; A730-L733 VanDerWaalsContact O-N 3.16Å |
| 731 | M | 79.5 | Confident | 81.6 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.7 | -27.6 | -178.1 | -69.3 | -44 | 95.6 | 0 | 0 | 114.2 | L544 D545 R607 L655 L698 R727 E728 L733 | L544-M731 HydrophobicContact CB-CE 4.11Å; D545-M731 HydrophobicContact CB-CE 3.67Å; D545-M731 HydrophobicContact CB-SD 4.26Å; R607-M731 PolarHBondContact NE-O 2.81Å; R607-M731 PolarHBondContact NH2-O 3.28Å; L655-M731 HydrophobicContact CD1-CB 4.41Å; L655-M731 HydrophobicContact CD2-CB 3.76Å; L655-M731 HydrophobicContact CD2-CG 4.08Å; L698-M731 HydrophobicContact CD1-CE 4.28Å; L698-M731 HydrophobicContact CD1-CG 3.99Å; L698-M731 HydrophobicContact CD1-SD 3.57Å; L698-M731 VanDerWaalsContact CD1-SD 3.57Å; L698-M731 HydrophobicContact CD2-CE 3.62Å; L698-M731 HydrophobicContact CD2-SD 3.63Å; L698-M731 HydrophobicContact CG-SD 4Å; R727-M731 WeakPolarHBondContact O-CG 3.38Å; R727-M731 PolarHBondContact O-N 3.03Å; R727-M731 VanDerWaalsContact O-N 3.11Å; E728-M731 PolarHBondContact O-N 3.39Å; E728-M731 VanDerWaalsContact O-N 3.15Å; M731-L733 PolarHBondContact O-N 3.46Å |
| 732 | Q | 77.2 | Confident | 81.5 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 66% | 0.659 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 9 | 175 | -68.1 | 179.6 | 18.4 | 0 | 0 | 113.9 | E728 L729 A730 T734 | E728-Q732 WeakPolarHBondContact O-CG 3.09Å; E728-Q732 PolarHBondContact O-N 2.83Å; L729-Q732 PolarHBondContact O-N 2.81Å; A730-Q732 VanDerWaalsContact C-N 3.3Å; A730-Q732 PolarHBondContact O-N 3.4Å; Q732-T734 PolarHBondContact O-N 2.03Å |
| 733 | L | 76.9 | Confident | 81.5 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 34.8 | -175.8 | -59.7 | 169.3 | 0 | 0 | 0 | 112.4 | T576 A730 M731 P735 | T576-L733 HydrophobicContact CG2-CD1 3.96Å; T576-L733 HydrophobicContact CG2-CD2 3.92Å; A730-L733 PolarHBondContact O-N 2.7Å; A730-L733 VanDerWaalsContact O-N 3.16Å; M731-L733 PolarHBondContact O-N 3.46Å; L733-P735 WeakPolarHBondContact O-CD 3.48Å |
| 734 | T | 77.8 | Confident | 81.2 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | trans | -66.1 | 124 | 178.2 | -53.8 | 0 | 0 | 0 | 0 | 109.7 | L729 Q732 R738 L739 | L729-T734 WeakPolarHBondContact O-CB 3.03Å; L729-T734 PolarHBondContact O-N 3.22Å; L729-T734 VanDerWaalsContact O-N 3.15Å; L729-T734 PolarHBondContact O-OG1 3.08Å; Q732-T734 PolarHBondContact O-N 2.03Å; T734-R738 HydrophobicContact CG2-CB 4.01Å; T734-L739 HydrophobicContact CG2-CD2 3.83Å | ||
| 735 | P | 74.7 | Confident | 80.8 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | trans | -55.7 | 139.2 | 176.6 | -27.8 | 36.5 | 0 | 0 | 0 | 112.5 | L733 D737 R738 L739 | L733-P735 WeakPolarHBondContact O-CD 3.48Å; P735-D737 WeakPolarHBondContact CB-OD1 3.48Å; P735-D737 PolarHBondContact O-N 2.81Å; P735-R738 HydrophobicContact CB-CG 4.35Å; P735-R738 WeakPolarHBondContact O-CA 3.45Å; P735-R738 WeakPolarHBondContact O-CB 3.49Å; P735-R738 PolarHBondContact O-N 2.94Å; P735-L739 PolarHBondContact O-N 2.64Å | ||
| 736 | I | 71.9 | Confident | 80.5 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 23% | 0.226 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -58.6 | -33.2 | -173.5 | -84.4 | 154.5 | 0 | 0 | 0 | 113.2 | R738 L739 R744 I776 | I736-R738 PolarHBondContact O-N 3.25Å; I736-L739 HydrophobicContact CB-CD1 4.41Å; I736-L739 HydrophobicContact CG1-CD1 3.91Å; I736-L739 PolarHBondContact O-N 3.1Å; I736-R744 WeakPolarHBondContact O-CD 3.38Å; I736-I776 HydrophobicContact CD1-CB 3.9Å; I736-I776 HydrophobicContact CD1-CG2 3.57Å; I736-I776 WeakPolarHBondContact CD1-O 3.39Å; I736-I776 HydrophobicContact CG1-CG2 4.3Å; I736-I776 HydrophobicContact CG2-CD1 4.48Å |
| 737 | D | 77 | Confident | 80.3 | Confident | 112 Ų | 112 | 59.3 Ų | 59.3 | 60% | 0.599 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -61.1 | -29.2 | 173.4 | 57.4 | -65.3 | 0 | 0 | 0 | 113.1 | P735 R744 | P735-D737 WeakPolarHBondContact CB-OD1 3.48Å; P735-D737 PolarHBondContact O-N 2.81Å; D737-R744 PolarHBondContact O-NH1 2.98Å; D737-R744 VanDerWaalsContact O-NH1 3.14Å |
| 738 | R | 83 | Confident | 80.1 | Confident | 164 Ų | 164 | 58 Ų | 58 | 62% | 0.619 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -92.2 | -3.4 | -180 | -56 | -172.1 | -179.1 | -175.7 | -1.8 | 114.1 | T734 P735 I736 | T734-R738 HydrophobicContact CG2-CB 4.01Å; P735-R738 HydrophobicContact CB-CG 4.35Å; P735-R738 WeakPolarHBondContact O-CA 3.45Å; P735-R738 WeakPolarHBondContact O-CB 3.49Å; P735-R738 PolarHBondContact O-N 2.94Å; I736-R738 PolarHBondContact O-N 3.25Å |
| 739 | L | 78.2 | Confident | 80 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -75.7 | 142.7 | 177.9 | -64.2 | 176.4 | 0 | 0 | 0 | 111.4 | L729 T734 P735 I736 C743 R744 L747 | L729-L739 HydrophobicContact CB-CD2 3.52Å; L729-L739 HydrophobicContact CD1-CD2 4.09Å; L729-L739 HydrophobicContact CG-CD2 4.4Å; T734-L739 HydrophobicContact CG2-CD2 3.83Å; P735-L739 PolarHBondContact O-N 2.64Å; I736-L739 HydrophobicContact CB-CD1 4.41Å; I736-L739 HydrophobicContact CG1-CD1 3.91Å; I736-L739 PolarHBondContact O-N 3.1Å; L739-C743 HydrophobicContact CB-CB 4.36Å; L739-R744 HydrophobicContact CB-CG 3.91Å; L739-L747 HydrophobicContact CD1-CD1 3.48Å; L739-L747 VanDerWaalsContact CD1-CD1 3.48Å |
| 740 | P | 84.6 | Confident | 79.8 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | trans | -55.2 | 145 | 172.1 | -25.6 | 33.9 | 0 | 0 | 0 | 112.1 | F724 L729 P742 C743 R744 | F724-P740 HydrophobicContact CB-CB 4.22Å; F724-P740 HydrophobicContact CB-CG 4.38Å; F724-P740 HydrophobicContact CD1-CB 3.77Å; F724-P740 HydrophobicContact CD1-CG 4.22Å; F724-P740 HydrophobicContact CG-CB 4.21Å; L729-P740 VanDerWaalsContact CD1-CD 3.41Å; L729-P740 HydrophobicContact CD1-CG 3.89Å; P740-P742 VanDerWaalsContact C-N 3.34Å; P740-C743 WeakPolarHBondContact O-CA 3.41Å; P740-C743 VanDerWaalsContact O-CB 3.28Å; P740-C743 WeakPolarHBondContact O-CB 3.41Å; P740-C743 PolarHBondContact O-N 3.17Å; P740-R744 PolarHBondContact O-N 2.85Å | ||
| 741 | E | 81.9 | Confident | 79.9 | Confident | 99 Ų | 99 | 51.4 Ų | 51.4 | 46% | 0.463 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.7 | -40.9 | -176.7 | -177.6 | 61.2 | -165.8 | 0 | 0 | 114.1 | C743 R744 R745 | E741-C743 VanDerWaalsContact C-N 3.3Å; E741-C743 PolarHBondContact O-N 3.21Å; E741-R744 PolarHBondContact O-N 2.73Å; E741-R744 IonicContact OE2-CZ 2.74Å; E741-R744 IonicContact OE2-NE 3.65Å; E741-R744 PolarHBondContact OE2-NE 3.32Å; E741-R744 IonicContact OE2-NH2 3.63Å; E741-R744 PolarHBondContact OE2-NH2 3.31Å; E741-R745 PolarHBondContact O-N 2.62Å |
| 742 | P | 84.1 | Confident | 79.8 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -31.2 | 174.3 | -26 | 40.1 | 0 | 0 | 0 | 113.3 | E720 F724 P740 L746 | E720-P742 HydrophobicContact CB-CB 4.24Å; F724-P742 HydrophobicContact CD2-CB 3.72Å; F724-P742 HydrophobicContact CD2-CG 3.72Å; F724-P742 HydrophobicContact CE2-CB 4.01Å; F724-P742 HydrophobicContact CE2-CG 3.53Å; F724-P742 HydrophobicContact CG-CB 4.38Å; F724-P742 HydrophobicContact CG-CG 4.36Å; F724-P742 HydrophobicContact CZ-CG 3.99Å; P740-P742 VanDerWaalsContact C-N 3.34Å; P742-L746 VanDerWaalsContact O-CB 3.25Å; P742-L746 WeakPolarHBondContact O-CB 3.48Å; P742-L746 WeakPolarHBondContact O-CD1 3.33Å; P742-L746 VanDerWaalsContact O-CG 3.24Å; P742-L746 WeakPolarHBondContact O-CG 3.41Å; P742-L746 PolarHBondContact O-N 2.71Å |
| 743 | C | 86 | Confident | 79.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.9 | -45.2 | 171.8 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | F724 C726 L739 P740 E741 R745 L746 L747 | F724-C743 VanDerWaalsContact CB-SG 3.57Å; F724-C743 PolarHBondContact O-SG 3.34Å; C726-C743 WeakPolarHBondContact CA-SG 3.39Å; C726-C743 HydrophobicContact CB-CB 3.7Å; C726-C743 WeakPolarHBondContact CB-SG 3.34Å; C726-C743 WeakPolarHBondContact SG-CA 3.41Å; C726-C743 WeakPolarHBondContact SG-CB 3.48Å; C726-C743 CovalentContact SG-SG 2.04Å; C726-C743 PolarHBondContact SG-SG 2.71Å; L739-C743 HydrophobicContact CB-CB 4.36Å; P740-C743 WeakPolarHBondContact O-CA 3.41Å; P740-C743 VanDerWaalsContact O-CB 3.28Å; P740-C743 WeakPolarHBondContact O-CB 3.41Å; P740-C743 PolarHBondContact O-N 3.17Å; E741-C743 VanDerWaalsContact C-N 3.3Å; E741-C743 PolarHBondContact O-N 3.21Å; C743-R745 VanDerWaalsContact C-N 3.28Å; C743-R745 PolarHBondContact O-N 3.46Å; C743-L746 PolarHBondContact O-N 3.32Å; C743-L746 VanDerWaalsContact O-N 3.16Å; C743-L747 HydrophobicContact CB-CD1 4.3Å; C743-L747 WeakPolarHBondContact O-CB 3.31Å; C743-L747 WeakPolarHBondContact O-CG 3.37Å; C743-L747 PolarHBondContact O-N 3.19Å |
| 744 | R | 82.6 | Confident | 79.8 | Confident | 98 Ų | 98 | 43 Ų | 43 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.6 | -43.9 | 175.9 | -62.2 | -163.3 | -67.2 | -145.9 | 7.4 | 111.5 | I736 D737 L739 P740 E741 | I736-R744 WeakPolarHBondContact O-CD 3.38Å; D737-R744 PolarHBondContact O-NH1 2.98Å; D737-R744 VanDerWaalsContact O-NH1 3.14Å; L739-R744 HydrophobicContact CB-CG 3.91Å; P740-R744 PolarHBondContact O-N 2.85Å; E741-R744 PolarHBondContact O-N 2.73Å; E741-R744 IonicContact OE2-CZ 2.74Å; E741-R744 IonicContact OE2-NE 3.65Å; E741-R744 PolarHBondContact OE2-NE 3.32Å; E741-R744 IonicContact OE2-NH2 3.63Å; E741-R744 PolarHBondContact OE2-NH2 3.31Å |
| 745 | R | 81 | Confident | 80 | Confident | 169 Ų | 169 | 41.9 Ų | 41.9 | 64% | 0.638 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -68.9 | -29.4 | 176.7 | -79.1 | -176.6 | 54.3 | -170.7 | -9.5 | 115.3 | E741 C743 P749 | E741-R745 PolarHBondContact O-N 2.62Å; C743-R745 VanDerWaalsContact C-N 3.28Å; C743-R745 PolarHBondContact O-N 3.46Å; R745-P749 WeakPolarHBondContact O-CD 3.44Å; R745-P749 VanDerWaalsContact O-CG 3.31Å; R745-P749 WeakPolarHBondContact O-CG 3.47Å |
| 746 | L | 82.1 | Confident | 80.2 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -103.2 | -28.2 | -172.6 | -68.9 | 170.9 | 0 | 0 | 0 | 114.1 | R717 E720 Y721 P742 C743 C748 P749 V750 | R717-L746 HydrophobicContact CB-CD2 4.07Å; R717-L746 HydrophobicContact CG-CD2 4.01Å; R717-L746 WeakPolarHBondContact O-CD1 3.23Å; E720-L746 HydrophobicContact CB-CD1 4.1Å; Y721-L746 HydrophobicContact CD2-CB 4.03Å; P742-L746 VanDerWaalsContact O-CB 3.25Å; P742-L746 WeakPolarHBondContact O-CB 3.48Å; P742-L746 WeakPolarHBondContact O-CD1 3.33Å; P742-L746 VanDerWaalsContact O-CG 3.24Å; P742-L746 WeakPolarHBondContact O-CG 3.41Å; P742-L746 PolarHBondContact O-N 2.71Å; C743-L746 PolarHBondContact O-N 3.32Å; C743-L746 VanDerWaalsContact O-N 3.16Å; L746-C748 VanDerWaalsContact C-N 3.33Å; L746-C748 PolarHBondContact O-N 2.59Å; L746-P749 WeakPolarHBondContact O-CD 3.5Å; L746-V750 VanDerWaalsContact O-CB 3.3Å; L746-V750 WeakPolarHBondContact O-CB 3.36Å; L746-V750 WeakPolarHBondContact O-CG2 3.44Å; L746-V750 PolarHBondContact O-N 3.44Å |
| 747 | L | 81.5 | Confident | 80.8 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -44.9 | -178.9 | -77.1 | 169 | 0 | 0 | 0 | 112.1 | L544 Y721 C726 L739 C743 V750 A751 | L544-L747 HydrophobicContact CD1-CD2 3.65Å; Y721-L747 HydrophobicContact CE2-CD2 4.08Å; C726-L747 HydrophobicContact CB-CD2 4.47Å; L739-L747 HydrophobicContact CD1-CD1 3.48Å; L739-L747 VanDerWaalsContact CD1-CD1 3.48Å; C743-L747 HydrophobicContact CB-CD1 4.3Å; C743-L747 WeakPolarHBondContact O-CB 3.31Å; C743-L747 WeakPolarHBondContact O-CG 3.37Å; C743-L747 PolarHBondContact O-N 3.19Å; L747-V750 PolarHBondContact O-N 3.44Å; L747-A751 WeakPolarHBondContact O-CB 3.47Å; L747-A751 PolarHBondContact O-N 3.41Å |
| 748 | C | 80 | Confident | 81 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -55.2 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 112.6 | C541 L746 V750 A751 A752 | C541-C748 HydrophobicContact CB-CB 3.76Å; C541-C748 WeakPolarHBondContact CB-SG 3.24Å; C541-C748 VanDerWaalsContact SG-C 3.52Å; C541-C748 WeakPolarHBondContact SG-CA 3.45Å; C541-C748 WeakPolarHBondContact SG-CB 3.15Å; C541-C748 PolarHBondContact SG-O 2.66Å; C541-C748 CovalentContact SG-SG 2.03Å; C541-C748 PolarHBondContact SG-SG 3.21Å; L746-C748 VanDerWaalsContact C-N 3.33Å; L746-C748 PolarHBondContact O-N 2.59Å; C748-V750 PolarHBondContact O-N 3.25Å; C748-A751 PolarHBondContact O-N 2.66Å; C748-A751 VanDerWaalsContact O-N 3.08Å; C748-A752 VanDerWaalsContact O-CB 3.28Å; C748-A752 WeakPolarHBondContact O-CB 3.03Å; C748-A752 PolarHBondContact O-N 3.42Å |
| 749 | P | 78.4 | Confident | 81 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.5 | -39.6 | 173.4 | -32.5 | 37.5 | 0 | 0 | 0 | 114.5 | V706 R745 L746 S753 | V706-P749 HydrophobicContact CG1-CB 4.37Å; V706-P749 HydrophobicContact CG2-CB 4.07Å; V706-P749 WeakPolarHBondContact CG2-O 3.47Å; R745-P749 WeakPolarHBondContact O-CD 3.44Å; R745-P749 VanDerWaalsContact O-CG 3.31Å; R745-P749 WeakPolarHBondContact O-CG 3.47Å; L746-P749 WeakPolarHBondContact O-CD 3.5Å; P749-S753 WeakPolarHBondContact O-CB 3.4Å; P749-S753 PolarHBondContact O-N 3.46Å; P749-S753 PolarHBondContact O-OG 3.24Å |
| 750 | V | 80.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 176.7 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | L544 I704 F707 Y721 L746 L747 C748 S753 F754 | L544-V750 HydrophobicContact CD1-CG1 3.8Å; I704-V750 HydrophobicContact CD1-CG1 3.71Å; I704-V750 HydrophobicContact CG2-CG1 4.14Å; I704-V750 HydrophobicContact CG2-CG2 4.47Å; F707-V750 HydrophobicContact CE1-CG2 4.33Å; F707-V750 HydrophobicContact CE2-CG1 4.47Å; F707-V750 HydrophobicContact CE2-CG2 3.5Å; F707-V750 VanDerWaalsContact CE2-CG2 3.5Å; F707-V750 HydrophobicContact CZ-CG2 3.36Å; Y721-V750 HydrophobicContact CD2-CG2 4.42Å; Y721-V750 HydrophobicContact CE2-CG2 4.29Å; L746-V750 VanDerWaalsContact O-CB 3.3Å; L746-V750 WeakPolarHBondContact O-CB 3.36Å; L746-V750 WeakPolarHBondContact O-CG2 3.44Å; L746-V750 PolarHBondContact O-N 3.44Å; L747-V750 PolarHBondContact O-N 3.44Å; C748-V750 PolarHBondContact O-N 3.25Å; V750-S753 PolarHBondContact O-N 3.14Å; V750-S753 PolarHBondContact O-OG 3.11Å; V750-F754 WeakPolarHBondContact O-CD1 3.25Å |
| 751 | A | 79.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.6 | -47.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A542 L747 C748 S753 F754 V755 | A542-A751 HydrophobicContact CB-CB 4.1Å; A542-A751 WeakPolarHBondContact O-CB 3.13Å; L747-A751 WeakPolarHBondContact O-CB 3.47Å; L747-A751 PolarHBondContact O-N 3.41Å; C748-A751 PolarHBondContact O-N 2.66Å; C748-A751 VanDerWaalsContact O-N 3.08Å; A751-S753 PolarHBondContact O-N 3.43Å; A751-S753 VanDerWaalsContact O-N 3.13Å; A751-F754 VanDerWaalsContact CA-CE1 3.44Å; A751-F754 HydrophobicContact CB-CE1 4.03Å; A751-F754 HydrophobicContact CB-CZ 4.2Å; A751-F754 WeakPolarHBondContact O-CG 3.4Å; A751-F754 PolarHBondContact O-N 3.46Å; A751-V755 WeakPolarHBondContact O-CG2 3.38Å; A751-V755 PolarHBondContact O-N 2.91Å |
| 752 | A | 78.2 | Confident | 81.8 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.7 | -32 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F527 C748 F754 D756 | F527-A752 HydrophobicContact CE2-CB 4.08Å; F527-A752 HydrophobicContact CZ-CB 3.73Å; C748-A752 VanDerWaalsContact O-CB 3.28Å; C748-A752 WeakPolarHBondContact O-CB 3.03Å; C748-A752 PolarHBondContact O-N 3.42Å; A752-F754 VanDerWaalsContact C-N 3.33Å; A752-F754 PolarHBondContact O-N 3.4Å; A752-D756 WeakPolarHBondContact O-CA 3.37Å; A752-D756 PolarHBondContact O-N 2.8Å |
| 753 | S | 75 | Confident | 82.1 | Confident | 16 Ų | 16 | 31 Ų | 31 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.6 | -15 | 177.7 | 76.2 | 0 | 0 | 0 | 0 | 115.6 | I704 P749 V750 A751 | I704-S753 VanDerWaalsContact CG2-OG 3.27Å; I704-S753 WeakPolarHBondContact CG2-OG 3.39Å; P749-S753 WeakPolarHBondContact O-CB 3.4Å; P749-S753 PolarHBondContact O-N 3.46Å; P749-S753 PolarHBondContact O-OG 3.24Å; V750-S753 PolarHBondContact O-N 3.14Å; V750-S753 PolarHBondContact O-OG 3.11Å; A751-S753 PolarHBondContact O-N 3.43Å; A751-S753 VanDerWaalsContact O-N 3.13Å |
| 754 | F | 78.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -108.5 | -11 | 172.1 | 73.1 | -110.3 | 0 | 0 | 0 | 114.3 | M598 M600 P699 V750 A751 A752 | M598-F754 WeakPolarHBondContact CE-O 3.3Å; M598-F754 HydrophobicContact SD-CB 4.45Å; M600-F754 HydrophobicContact CE-CB 3.44Å; M600-F754 VanDerWaalsContact CE-CB 3.44Å; M600-F754 HydrophobicContact SD-CB 4.11Å; P699-F754 HydrophobicContact CB-CD1 4.13Å; P699-F754 HydrophobicContact CB-CE1 4.33Å; P699-F754 HydrophobicContact CG-CD1 3.69Å; P699-F754 HydrophobicContact CG-CD2 4.09Å; P699-F754 HydrophobicContact CG-CE1 3.63Å; P699-F754 HydrophobicContact CG-CE2 4.08Å; P699-F754 HydrophobicContact CG-CG 3.93Å; P699-F754 HydrophobicContact CG-CZ 3.85Å; V750-F754 WeakPolarHBondContact O-CD1 3.25Å; A751-F754 VanDerWaalsContact CA-CE1 3.44Å; A751-F754 HydrophobicContact CB-CE1 4.03Å; A751-F754 HydrophobicContact CB-CZ 4.2Å; A751-F754 WeakPolarHBondContact O-CG 3.4Å; A751-F754 PolarHBondContact O-N 3.46Å; A752-F754 VanDerWaalsContact C-N 3.33Å; A752-F754 PolarHBondContact O-N 3.4Å |
| 755 | V | 80.8 | Confident | 82.4 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -97.9 | -25.9 | 171.5 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | A542 Y597 A751 Q757 V759 | A542-V755 HydrophobicContact CB-CG2 4.16Å; Y597-V755 HydrophobicContact CD1-CG1 4.07Å; Y597-V755 HydrophobicContact CE1-CG1 4.13Å; A751-V755 WeakPolarHBondContact O-CG2 3.38Å; A751-V755 PolarHBondContact O-N 2.91Å; V755-Q757 HydrophobicContact CG1-CG 4.05Å; V755-Q757 VanDerWaalsContact CG1-O 3.28Å; V755-Q757 WeakPolarHBondContact CG1-O 3.5Å; V755-Q757 PolarHBondContact O-N 2.76Å; V755-Q757 VanDerWaalsContact O-N 3.12Å; V755-V759 HydrophobicContact CG1-CG2 3.69Å |
| 756 | D | 79.5 | Confident | 82.7 | Confident | 76 Ų | 76 | 28.2 Ų | 28.2 | 41% | 0.406 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 61.9 | -0.5 | -176 | -154.7 | 31.7 | 0 | 0 | 0 | 116.5 | R524 M598 A752 | R524-D756 IonicContact CZ-OD1 2.67Å; R524-D756 IonicContact NH1-OD1 3.6Å; R524-D756 PolarHBondContact NH1-OD1 2.86Å; M598-D756 HydrophobicContact CE-CB 4.44Å; A752-D756 WeakPolarHBondContact O-CA 3.37Å; A752-D756 PolarHBondContact O-N 2.8Å |
| 757 | Q | 84 | Confident | 82.9 | Confident | 81 Ų | 81 | 27.8 Ų | 27.8 | 38% | 0.379 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -152.3 | 166.2 | 179.8 | 61.3 | -179.9 | 19.5 | 0 | 0 | 111.3 | S525 V755 | S525-Q757 VanDerWaalsContact O-CA 3.31Å; S525-Q757 WeakPolarHBondContact O-CA 3.36Å; V755-Q757 HydrophobicContact CG1-CG 4.05Å; V755-Q757 VanDerWaalsContact CG1-O 3.28Å; V755-Q757 WeakPolarHBondContact CG1-O 3.5Å; V755-Q757 PolarHBondContact O-N 2.76Å; V755-Q757 VanDerWaalsContact O-N 3.12Å |
| 758 | G | 81.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 148.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S525 | S525-G758 PolarHBondContact O-N 3.13Å; S525-G758 VanDerWaalsContact O-N 3.12Å |
| 759 | V | 83.6 | Confident | 83.5 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 110 | Y539 F540 A542 F546 V755 | Y539-V759 CarbonylContact C-O 3.55Å; Y539-V759 WeakPolarHBondContact CA-O 3.48Å; F540-V759 HydrophobicContact CD1-CB 4.16Å; F540-V759 HydrophobicContact CD1-CG1 4.46Å; F540-V759 WeakPolarHBondContact CD1-O 3.48Å; F540-V759 HydrophobicContact CD2-CB 4.47Å; F540-V759 HydrophobicContact CE1-CB 3.75Å; F540-V759 HydrophobicContact CE1-CG1 3.61Å; F540-V759 HydrophobicContact CE2-CB 4.08Å; F540-V759 HydrophobicContact CE2-CG1 4.34Å; F540-V759 HydrophobicContact CZ-CB 3.7Å; F540-V759 HydrophobicContact CZ-CG1 3.53Å; F540-V759 PolarHBondContact N-O 2.94Å; F540-V759 PolarHBondContact O-N 2.86Å; A542-V759 HydrophobicContact CB-CG2 4.22Å; F546-V759 HydrophobicContact CE1-CG1 4.29Å; F546-V759 HydrophobicContact CE1-CG2 4.19Å; F546-V759 HydrophobicContact CE2-CG1 4.39Å; F546-V759 HydrophobicContact CZ-CG1 3.72Å; F546-V759 HydrophobicContact CZ-CG2 4.38Å; V755-V759 HydrophobicContact CG1-CG2 3.69Å |
| 760 | G | 86.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 24% | 0.237 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 140.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F540 | F540-G760 WeakPolarHBondContact CE1-O 3.49Å |
| 761 | C | 88 | Confident | 83.9 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | trans | -66.5 | -37.6 | -175.6 | -70 | 0 | 0 | 0 | 0 | 115 | G538 C763 C773 | G538-C761 PolarHBondContact O-N 3.11Å; G538-C761 PolarHBondContact O-SG 3.06Å; C761-C763 VanDerWaalsContact C-N 3.26Å; C761-C763 PolarHBondContact O-N 3.2Å; C761-C763 VanDerWaalsContact O-N 3.13Å; C761-C773 VanDerWaalsContact CA-SG 3.54Å; C761-C773 HydrophobicContact CB-CB 3.6Å; C761-C773 WeakPolarHBondContact CB-SG 3.4Å; C761-C773 WeakPolarHBondContact SG-CB 3.35Å; C761-C773 PolarHBondContact SG-N 3.31Å; C761-C773 CovalentContact SG-SG 2.03Å; C761-C773 PolarHBondContact SG-SG 3.07Å | ||
| 762 | D | 87.9 | Confident | 84.1 | Confident | 99 Ų | 99 | 41 Ų | 41 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | trans | 47.7 | 35 | -177.7 | -64.4 | -9.4 | 0 | 0 | 0 | 116.4 | D764 R790 | D762-D764 PolarHBondContact O-N 3.19Å; D762-R790 HydrophobicContact CB-CG 4.49Å; D762-R790 WeakPolarHBondContact O-CB 3.4Å; D762-R790 WeakPolarHBondContact O-CG 3.44Å; D762-R790 IonicContact OD2-CZ 3.81Å; D762-R790 IonicContact OD2-NH1 2.87Å; D762-R790 PolarHBondContact OD2-NH1 2.95Å; D762-R790 IonicContact OD2-NH2 3.97Å; D762-R790 PolarHBondContact OD2-NH2 3.31Å | ||
| 763 | C | 89.1 | Confident | 84.5 | Confident | 18 Ų | 18 | 41.1 Ų | 41.1 | 12% | 0.122 | 25% | 0.253 | C | S | . | . | trans | -62.4 | 134.6 | -179.5 | -52.4 | 0 | 0 | 0 | 0 | 112.9 | C761 C780 | C761-C763 VanDerWaalsContact C-N 3.26Å; C761-C763 PolarHBondContact O-N 3.2Å; C761-C763 VanDerWaalsContact O-N 3.13Å; C763-C780 WeakPolarHBondContact CA-SG 3.34Å; C763-C780 HydrophobicContact CB-CB 3.72Å; C763-C780 WeakPolarHBondContact CB-SG 3.22Å; C763-C780 WeakPolarHBondContact SG-CB 3.37Å; C763-C780 CovalentContact SG-SG 2.03Å; C763-C780 PolarHBondContact SG-SG 2.66Å | ||
| 764 | D | 88.5 | Confident | 84.9 | Confident | 45 Ų | 45 | 43.3 Ų | 43.3 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | trans | -69.2 | 121 | 174.6 | 180 | -85.2 | 0 | 0 | 0 | 110.6 | D762 T766 G767 S768 R790 E792 | D762-D764 PolarHBondContact O-N 3.19Å; D764-T766 PolarHBondContact O-N 2.93Å; D764-T766 VanDerWaalsContact OD1-CA 3.26Å; D764-T766 WeakPolarHBondContact OD1-CA 3.3Å; D764-T766 WeakPolarHBondContact OD1-CB 3.47Å; D764-T766 PolarHBondContact OD1-N 3.22Å; D764-T766 PolarHBondContact OD1-OG1 3.3Å; D764-G767 PolarHBondContact O-N 2.92Å; D764-G767 PolarHBondContact OD1-N 2.83Å; D764-S768 VanDerWaalsContact O-CB 3.23Å; D764-S768 WeakPolarHBondContact O-CB 3.43Å; D764-S768 PolarHBondContact O-N 3.19Å; D764-S768 PolarHBondContact O-OG 2.92Å; D764-S768 VanDerWaalsContact O-OG 3.05Å; D764-R790 PolarHBondContact N-O 3.17Å; D764-E792 HydrophobicContact CB-CB 4.42Å | ||
| 765 | P | 86.3 | Confident | 84.8 | Confident | 111 Ų | 111 | 46.4 Ų | 46.4 | 72% | 0.721 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -14.2 | -173.9 | 29.1 | -36.3 | 0 | 0 | 0 | 114 | ||
| 766 | T | 88.1 | Confident | 84.6 | Confident | 51 Ų | 51 | 48 Ų | 48 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -50.7 | 176.9 | -45.5 | 0 | 0 | 0 | 0 | 109.9 | D764 K783 F801 | D764-T766 PolarHBondContact O-N 2.93Å; D764-T766 VanDerWaalsContact OD1-CA 3.26Å; D764-T766 WeakPolarHBondContact OD1-CA 3.3Å; D764-T766 WeakPolarHBondContact OD1-CB 3.47Å; D764-T766 PolarHBondContact OD1-N 3.22Å; D764-T766 PolarHBondContact OD1-OG1 3.3Å; T766-K783 WeakPolarHBondContact O-CD 3.4Å; T766-K783 PolarHBondContact O-NZ 2.7Å; T766-F801 HydrophobicContact CG2-CD1 4.14Å; T766-F801 HydrophobicContact CG2-CE1 3.78Å; T766-F801 HydrophobicContact CG2-CZ 4.36Å |
| 767 | G | 85.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -14.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D764 K783 C791 | D764-G767 PolarHBondContact O-N 2.92Å; D764-G767 PolarHBondContact OD1-N 2.83Å; G767-K783 WeakPolarHBondContact O-CB 3.46Å; G767-K783 WeakPolarHBondContact O-CG 3.26Å; G767-K783 PolarHBondContact O-N 3.22Å; G767-C791 CarbonylContact C-O 3.49Å; G767-C791 VanDerWaalsContact CA-O 3.24Å; G767-C791 WeakPolarHBondContact CA-O 3.36Å |
| 768 | S | 88.8 | Confident | 84.3 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 154.4 | 171.5 | 90.8 | 0 | 0 | 0 | 0 | 112.8 | D764 S770 H781 K783 | D764-S768 VanDerWaalsContact O-CB 3.23Å; D764-S768 WeakPolarHBondContact O-CB 3.43Å; D764-S768 PolarHBondContact O-N 3.19Å; D764-S768 PolarHBondContact O-OG 2.92Å; D764-S768 VanDerWaalsContact O-OG 3.05Å; S768-S770 PolarHBondContact OG-O 3.18Å; S768-H781 CarbonylContact C-O 3.46Å; S768-H781 WeakPolarHBondContact CA-O 3.37Å; S768-K783 WeakPolarHBondContact O-CE 3.4Å; S768-K783 PolarHBondContact O-NZ 3.04Å |
| 769 | V | 86 | Confident | 84.4 | Confident | 101 Ų | 101 | 45.8 Ų | 45.8 | 61% | 0.612 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -29.4 | 175.4 | 178 | 0 | 0 | 0 | 0 | 111.4 | H781 K783 | V769-H781 HydrophobicContact CB-CB 4.23Å; V769-H781 WeakPolarHBondContact CG2-O 3.36Å; V769-H781 PolarHBondContact N-O 2.99Å; V769-K783 HydrophobicContact CG2-CG 3.85Å |
| 770 | S | 84 | Confident | 84.6 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 159.9 | 177.5 | 79.5 | 0 | 0 | 0 | 0 | 111.6 | S768 I772 | S768-S770 PolarHBondContact OG-O 3.18Å; S770-I772 PolarHBondContact O-N 3.19Å; S770-I772 PolarHBondContact OG-N 3.36Å; S770-I772 PolarHBondContact OG-O 3.47Å; S770-I772 VanDerWaalsContact OG-O 3.07Å |
| 771 | G | 82.3 | Confident | 84.7 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -1.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 772 | I | 83.9 | Confident | 84.7 | Confident | 101 Ų | 101 | 51.4 Ų | 51.4 | 52% | 0.518 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125 | 177.7 | -55.6 | 173.3 | 0 | 0 | 0 | 108 | S770 | S770-I772 PolarHBondContact O-N 3.19Å; S770-I772 PolarHBondContact OG-N 3.36Å; S770-I772 PolarHBondContact OG-O 3.47Å; S770-I772 VanDerWaalsContact OG-O 3.07Å |
| 773 | C | 86.2 | Confident | 84.6 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.034 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 171.6 | 173.5 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | F540 C761 G778 | F540-C773 WeakPolarHBondContact CD1-SG 3.28Å; C761-C773 VanDerWaalsContact CA-SG 3.54Å; C761-C773 HydrophobicContact CB-CB 3.6Å; C761-C773 WeakPolarHBondContact CB-SG 3.4Å; C761-C773 WeakPolarHBondContact SG-CB 3.35Å; C761-C773 PolarHBondContact SG-N 3.31Å; C761-C773 CovalentContact SG-SG 2.03Å; C761-C773 PolarHBondContact SG-SG 3.07Å; C773-G778 WeakPolarHBondContact CB-O 3.3Å |
| 774 | N | 83 | Confident | 84.3 | Confident | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 126.8 | 174.2 | -171.7 | -38.3 | 0 | 0 | 0 | 110.4 | F540 I776 G778 Q779 | F540-N774 VanDerWaalsContact CB-O 3.29Å; F540-N774 WeakPolarHBondContact CB-O 3.02Å; N774-I776 PolarHBondContact O-N 3.03Å; N774-I776 PolarHBondContact OD1-N 2.97Å; N774-I776 PolarHBondContact OD1-O 3.46Å; N774-G778 WeakPolarHBondContact O-CA 3.06Å; N774-G778 PolarHBondContact O-N 2.8Å; N774-G778 VanDerWaalsContact O-N 3.12Å; N774-Q779 PolarHBondContact N-O 2.99Å |
| 775 | P | 78.1 | Confident | 84.1 | Confident | 69 Ų | 69 | 55.5 Ų | 55.5 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.8 | -177.3 | 26 | -36.6 | 0 | 0 | 0 | 114.3 | P535 C541 | P535-P775 HydrophobicContact CG-CB 3.79Å; C541-P775 PolarHBondContact N-O 2.94Å |
| 776 | I | 76.7 | Confident | 84.1 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -121.8 | 124.2 | 168.4 | -50.4 | 177.6 | 0 | 0 | 0 | 108.5 | I736 N774 G778 | I736-I776 HydrophobicContact CD1-CB 3.9Å; I736-I776 HydrophobicContact CD1-CG2 3.57Å; I736-I776 WeakPolarHBondContact CD1-O 3.39Å; I736-I776 HydrophobicContact CG1-CG2 4.3Å; I736-I776 HydrophobicContact CG2-CD1 4.48Å; N774-I776 PolarHBondContact O-N 3.03Å; N774-I776 PolarHBondContact OD1-N 2.97Å; N774-I776 PolarHBondContact OD1-O 3.46Å; I776-G778 VanDerWaalsContact C-N 3.27Å; I776-G778 PolarHBondContact O-N 2.89Å |
| 777 | G | 75.4 | Confident | 83.8 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -17.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | F540 C541 Q779 Q789 | F540-G777 VanDerWaalsContact CD2-C 3.48Å; C541-G777 PolarHBondContact O-N 2.79Å; G777-Q779 PolarHBondContact O-N 3.03Å; G777-Q789 PolarHBondContact O-NE2 3.09Å |
| 778 | G | 81.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | 77.2 | 15.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | F540 C773 N774 I776 C780 | F540-G778 VanDerWaalsContact CD1-CA 3.48Å; C773-G778 WeakPolarHBondContact CB-O 3.3Å; N774-G778 WeakPolarHBondContact O-CA 3.06Å; N774-G778 PolarHBondContact O-N 2.8Å; N774-G778 VanDerWaalsContact O-N 3.12Å; I776-G778 VanDerWaalsContact C-N 3.27Å; I776-G778 PolarHBondContact O-N 2.89Å; G778-C780 PolarHBondContact O-N 3.46Å | ||
| 779 | Q | 84.1 | Confident | 83 | Confident | 89 Ų | 89 | 53.3 Ų | 53.3 | 42% | 0.416 | 31% | 0.307 | S | S | . | . | trans | -65.2 | 120.4 | 174.8 | 179.2 | 60.3 | 59.4 | 0 | 0 | 110.2 | N774 G777 G788 Q789 | N774-Q779 PolarHBondContact N-O 2.99Å; G777-Q779 PolarHBondContact O-N 3.03Å; Q779-G788 PolarHBondContact NE2-O 3.23Å; Q779-Q789 PolarHBondContact NE2-O 3.08Å | ||
| 780 | C | 87.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 147.6 | 170.8 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | C763 G778 C782 Q789 C791 | C763-C780 WeakPolarHBondContact CA-SG 3.34Å; C763-C780 HydrophobicContact CB-CB 3.72Å; C763-C780 WeakPolarHBondContact CB-SG 3.22Å; C763-C780 WeakPolarHBondContact SG-CB 3.37Å; C763-C780 CovalentContact SG-SG 2.03Å; C763-C780 PolarHBondContact SG-SG 2.66Å; G778-C780 PolarHBondContact O-N 3.46Å; C780-C782 PolarHBondContact O-N 3.02Å; C780-Q789 WeakPolarHBondContact CB-O 3.19Å; C780-Q789 PolarHBondContact N-O 3.38Å; C780-Q789 PolarHBondContact SG-O 2.99Å; C780-Q789 VanDerWaalsContact SG-O 3.35Å; C780-C791 VanDerWaalsContact CB-SG 3.54Å; C780-C791 PolarHBondContact O-SG 3.01Å; C780-C791 VanDerWaalsContact O-SG 3.38Å |
| 781 | H | 87.6 | Confident | 83.3 | Confident | 117 Ų | 117 | 51 Ų | 51 | 54% | 0.542 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 98.4 | 174.9 | -76.7 | -86.4 | 0 | 0 | 0 | 109.9 | S768 V769 | S768-H781 CarbonylContact C-O 3.46Å; S768-H781 WeakPolarHBondContact CA-O 3.37Å; V769-H781 HydrophobicContact CB-CB 4.23Å; V769-H781 WeakPolarHBondContact CG2-O 3.36Å; V769-H781 PolarHBondContact N-O 2.99Å |
| 782 | C | 87.1 | Confident | 83.5 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 145.4 | -179.2 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | C780 V786 C791 | C780-C782 PolarHBondContact O-N 3.02Å; C782-V786 HydrophobicContact CB-CB 4.09Å; C782-V786 HydrophobicContact CB-CG1 4.16Å; C782-V786 WeakPolarHBondContact CB-O 2.94Å; C782-C791 WeakPolarHBondContact CA-SG 3.28Å; C782-C791 HydrophobicContact CB-CB 3.66Å; C782-C791 WeakPolarHBondContact CB-SG 3.36Å; C782-C791 PolarHBondContact N-SG 3.41Å; C782-C791 VanDerWaalsContact SG-CA 3.56Å; C782-C791 WeakPolarHBondContact SG-CB 3.35Å; C782-C791 CovalentContact SG-SG 2.04Å; C782-C791 PolarHBondContact SG-SG 2.04Å |
| 783 | K | 86.5 | Confident | 83.6 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 166.8 | 169.3 | -70.2 | 172.5 | -178.7 | 159.2 | 0 | 110.5 | T766 G767 S768 V769 H785 V786 P803 | T766-K783 WeakPolarHBondContact O-CD 3.4Å; T766-K783 PolarHBondContact O-NZ 2.7Å; G767-K783 WeakPolarHBondContact O-CB 3.46Å; G767-K783 WeakPolarHBondContact O-CG 3.26Å; G767-K783 PolarHBondContact O-N 3.22Å; S768-K783 WeakPolarHBondContact O-CE 3.4Å; S768-K783 PolarHBondContact O-NZ 3.04Å; V769-K783 HydrophobicContact CG2-CG 3.85Å; K783-H785 PolarHBondContact O-N 3.26Å; K783-V786 HydrophobicContact CB-CG2 4.24Å; K783-V786 WeakPolarHBondContact O-CB 3.25Å; K783-V786 PolarHBondContact O-N 3.41Å; K783-P803 VanDerWaalsContact CD-O 3.29Å; K783-P803 WeakPolarHBondContact CD-O 3.09Å; K783-P803 WeakPolarHBondContact CE-O 3.12Å; K783-P803 PolarHBondContact NZ-O 2.98Å |
| 784 | L | 83.6 | Confident | 83.6 | Confident | 127 Ų | 127 | 51.9 Ų | 51.9 | 67% | 0.665 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 133.4 | -177.1 | -165.9 | 70.5 | 0 | 0 | 0 | 110.8 | V786 C806 | L784-V786 PolarHBondContact O-N 3.27Å; L784-V786 VanDerWaalsContact O-N 3.15Å; L784-C806 PolarHBondContact O-N 2.89Å |
| 785 | H | 83.7 | Confident | 83.4 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 35% | 0.347 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 15.7 | -176.7 | -52.5 | -62.4 | 0 | 0 | 0 | 116.5 | K783 A795 T798 C806 | K783-H785 PolarHBondContact O-N 3.26Å; H785-A795 WeakPolarHBondContact O-CB 3.22Å; H785-A795 PolarHBondContact O-N 3.46Å; H785-T798 HydrophobicContact CB-CG2 3.73Å; H785-C806 HydrophobicContact CB-CB 3.95Å; H785-C806 PolarHBondContact CD2-O 3.19Å; H785-C806 VanDerWaalsContact CD2-O 3.25Å |
| 786 | V | 86.8 | Confident | 83.6 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 143 | 169.5 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | C782 K783 L784 C791 Q793 F801 | C782-V786 HydrophobicContact CB-CB 4.09Å; C782-V786 HydrophobicContact CB-CG1 4.16Å; C782-V786 WeakPolarHBondContact CB-O 2.94Å; K783-V786 HydrophobicContact CB-CG2 4.24Å; K783-V786 WeakPolarHBondContact O-CB 3.25Å; K783-V786 PolarHBondContact O-N 3.41Å; L784-V786 PolarHBondContact O-N 3.27Å; L784-V786 VanDerWaalsContact O-N 3.15Å; V786-C791 VanDerWaalsContact CG1-C 3.45Å; V786-C791 HydrophobicContact CG1-CB 3.66Å; V786-C791 VanDerWaalsContact CG1-O 3.23Å; V786-C791 WeakPolarHBondContact CG1-O 3.07Å; V786-Q793 WeakPolarHBondContact CA-O 3.41Å; V786-Q793 WeakPolarHBondContact CG1-O 3.38Å; V786-F801 HydrophobicContact CG1-CE2 3.94Å; V786-F801 HydrophobicContact CG2-CD2 4.28Å; V786-F801 HydrophobicContact CG2-CE2 4.19Å |
| 787 | I | 81.1 | Confident | 83.7 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 170 | -179.9 | 66.4 | 172.6 | 0 | 0 | 0 | 111.9 | P578 E792 Q793 A795 | P578-I787 HydrophobicContact CB-CD1 4Å; I787-E792 PolarHBondContact O-N 2.7Å; I787-Q793 HydrophobicContact CD1-CG 4.49Å; I787-Q793 HydrophobicContact CG1-CG 3.81Å; I787-Q793 PolarHBondContact N-O 2.88Å; I787-Q793 PolarHBondContact O-N 2.96Å; I787-A795 HydrophobicContact CG2-CB 4.09Å |
| 788 | G | 77.5 | Confident | 84.3 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 107.8 | 163.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q779 R790 E792 | Q779-G788 PolarHBondContact NE2-O 3.23Å; G788-R790 VanDerWaalsContact C-N 3.29Å; G788-E792 VanDerWaalsContact CA-OE2 3.32Å; G788-E792 WeakPolarHBondContact CA-OE2 3.12Å |
| 789 | Q | 79.2 | Confident | 84.6 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -65.6 | -38.6 | 176.5 | -171.6 | -167.3 | 33.1 | 0 | 0 | 110.3 | G777 Q779 C780 | G777-Q789 PolarHBondContact O-NE2 3.09Å; Q779-Q789 PolarHBondContact NE2-O 3.08Å; C780-Q789 WeakPolarHBondContact CB-O 3.19Å; C780-Q789 PolarHBondContact N-O 3.38Å; C780-Q789 PolarHBondContact SG-O 2.99Å; C780-Q789 VanDerWaalsContact SG-O 3.35Å |
| 790 | R | 88.1 | Confident | 84.7 | Confident | 98 Ų | 98 | 42.5 Ų | 42.5 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -93.9 | -11.2 | -176.8 | -59.4 | 171.4 | -178.6 | -130.8 | -17 | 112.4 | D762 D764 G788 E792 | D762-R790 HydrophobicContact CB-CG 4.49Å; D762-R790 WeakPolarHBondContact O-CB 3.4Å; D762-R790 WeakPolarHBondContact O-CG 3.44Å; D762-R790 IonicContact OD2-CZ 3.81Å; D762-R790 IonicContact OD2-NH1 2.87Å; D762-R790 PolarHBondContact OD2-NH1 2.95Å; D762-R790 IonicContact OD2-NH2 3.97Å; D762-R790 PolarHBondContact OD2-NH2 3.31Å; D764-R790 PolarHBondContact N-O 3.17Å; G788-R790 VanDerWaalsContact C-N 3.29Å; R790-E792 WeakPolarHBondContact CA-OE2 3.24Å; R790-E792 PolarHBondContact N-OE2 2.94Å; R790-E792 VanDerWaalsContact N-OE2 3.16Å |
| 791 | C | 89.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 73 | 47.6 | -177.8 | -47.7 | 0 | 0 | 0 | 0 | 113.4 | G767 C780 C782 V786 | G767-C791 CarbonylContact C-O 3.49Å; G767-C791 VanDerWaalsContact CA-O 3.24Å; G767-C791 WeakPolarHBondContact CA-O 3.36Å; C780-C791 VanDerWaalsContact CB-SG 3.54Å; C780-C791 PolarHBondContact O-SG 3.01Å; C780-C791 VanDerWaalsContact O-SG 3.38Å; C782-C791 WeakPolarHBondContact CA-SG 3.28Å; C782-C791 HydrophobicContact CB-CB 3.66Å; C782-C791 WeakPolarHBondContact CB-SG 3.36Å; C782-C791 PolarHBondContact N-SG 3.41Å; C782-C791 VanDerWaalsContact SG-CA 3.56Å; C782-C791 WeakPolarHBondContact SG-CB 3.35Å; C782-C791 CovalentContact SG-SG 2.04Å; C782-C791 PolarHBondContact SG-SG 2.04Å; V786-C791 VanDerWaalsContact CG1-C 3.45Å; V786-C791 HydrophobicContact CG1-CB 3.66Å; V786-C791 VanDerWaalsContact CG1-O 3.23Å; V786-C791 WeakPolarHBondContact CG1-O 3.07Å | ||
| 792 | E | 87 | Confident | 84.4 | Confident | 84 Ų | 84 | 41 Ų | 41 | 39% | 0.393 | 22% | 0.219 | S | C | . | . | trans | -98.1 | -5.9 | -168.3 | 60 | -93.2 | -114.4 | 0 | 0 | 115.2 | D764 I787 G788 R790 F801 | D764-E792 HydrophobicContact CB-CB 4.42Å; I787-E792 PolarHBondContact O-N 2.7Å; G788-E792 VanDerWaalsContact CA-OE2 3.32Å; G788-E792 WeakPolarHBondContact CA-OE2 3.12Å; R790-E792 WeakPolarHBondContact CA-OE2 3.24Å; R790-E792 PolarHBondContact N-OE2 2.94Å; R790-E792 VanDerWaalsContact N-OE2 3.16Å; E792-F801 VanDerWaalsContact C-CE2 3.48Å | ||
| 793 | Q | 85.5 | Confident | 84.1 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 34% | 0.341 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 155.7 | -174.8 | 62.8 | -176.6 | -21.2 | 0 | 0 | 114.7 | V786 I787 | V786-Q793 WeakPolarHBondContact CA-O 3.41Å; V786-Q793 WeakPolarHBondContact CG1-O 3.38Å; I787-Q793 HydrophobicContact CD1-CG 4.49Å; I787-Q793 HydrophobicContact CG1-CG 3.81Å; I787-Q793 PolarHBondContact N-O 2.88Å; I787-Q793 PolarHBondContact O-N 2.96Å |
| 794 | C | 85.7 | Confident | 83.9 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 14% | 0.142 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 148.1 | 174.4 | -66.6 | 0 | 0 | 0 | 0 | 112.9 | F801 C806 | C794-F801 PolarHBondContact SG-N 3.41Å; C794-F801 VanDerWaalsContact SG-N 3.4Å; C794-C806 WeakPolarHBondContact CA-SG 3.43Å; C794-C806 HydrophobicContact CB-CB 3.77Å; C794-C806 WeakPolarHBondContact CB-SG 3.4Å; C794-C806 WeakPolarHBondContact SG-CB 3.42Å; C794-C806 CovalentContact SG-SG 2.03Å; C794-C806 PolarHBondContact SG-SG 2.71Å |
| 795 | A | 80.3 | Confident | 84 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 146.1 | 164 | 0 | 0 | 0 | 0 | 0 | 112 | P567 H785 I787 T798 | P567-A795 HydrophobicContact CG-CB 3.68Å; H785-A795 WeakPolarHBondContact O-CB 3.22Å; H785-A795 PolarHBondContact O-N 3.46Å; I787-A795 HydrophobicContact CG2-CB 4.09Å; A795-T798 HydrophobicContact CB-CG2 4.33Å; A795-T798 PolarHBondContact O-N 2.87Å; A795-T798 VanDerWaalsContact O-N 3.12Å; A795-T798 PolarHBondContact O-OG1 2.84Å |
| 796 | S | 80.6 | Confident | 84.2 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 138.7 | 167.1 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | R565 T798 | R565-S796 WeakPolarHBondContact O-CB 3.05Å; R565-S796 PolarHBondContact O-OG 3.49Å; S796-T798 VanDerWaalsContact C-N 3.33Å |
| 797 | G | 79.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 44 Ų | 44 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 7.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C809 | G797-C809 WeakPolarHBondContact O-CB 3.28Å; G797-C809 PolarHBondContact O-N 2.83Å; G797-C809 PolarHBondContact O-SG 2.97Å |
| 798 | T | 88.2 | Confident | 84.4 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 163 | 177.7 | 77.2 | 0 | 0 | 0 | 0 | 112 | H785 A795 S796 C806 T807 L823 | H785-T798 HydrophobicContact CB-CG2 3.73Å; A795-T798 HydrophobicContact CB-CG2 4.33Å; A795-T798 PolarHBondContact O-N 2.87Å; A795-T798 VanDerWaalsContact O-N 3.12Å; A795-T798 PolarHBondContact O-OG1 2.84Å; S796-T798 VanDerWaalsContact C-N 3.33Å; T798-C806 WeakPolarHBondContact OG1-CB 3.35Å; T798-T807 CarbonylContact C-O 3.38Å; T798-T807 WeakPolarHBondContact CA-O 3.44Å; T798-T807 VanDerWaalsContact CB-O 3.23Å; T798-T807 WeakPolarHBondContact CB-O 3.47Å; T798-L823 WeakPolarHBondContact O-CD2 3.24Å |
| 799 | F | 88.1 | Confident | 84.9 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 13% | 0.127 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 164.8 | -175.3 | 76.2 | -81.3 | 0 | 0 | 0 | 112.9 | T807 A808 N822 L823 G826 | F799-T807 WeakPolarHBondContact CD1-O 3.4Å; F799-T807 HydrophobicContact CE1-CG2 3.96Å; F799-T807 HydrophobicContact CZ-CG2 4.24Å; F799-T807 PolarHBondContact N-O 2.9Å; F799-T807 PolarHBondContact O-N 2.91Å; F799-A808 WeakPolarHBondContact CE1-O 3.32Å; F799-N822 WeakPolarHBondContact CB-O 3.39Å; F799-L823 WeakPolarHBondContact CA-O 3.21Å; F799-G826 VanDerWaalsContact CD2-N 3.31Å |
| 800 | G | 85.7 | Confident | 85.2 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.8 | 49.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G802 L823 | G800-G802 PolarHBondContact O-N 2.91Å; G800-L823 PolarHBondContact N-O 3.45Å |
| 801 | F | 87.7 | Confident | 85.2 | Confident | 74 Ų | 74 | 40.1 Ų | 40.1 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.5 | 113.5 | 174.7 | -173.6 | -100.5 | 0 | 0 | 0 | 111.4 | T766 V786 E792 C794 | T766-F801 HydrophobicContact CG2-CD1 4.14Å; T766-F801 HydrophobicContact CG2-CE1 3.78Å; T766-F801 HydrophobicContact CG2-CZ 4.36Å; V786-F801 HydrophobicContact CG1-CE2 3.94Å; V786-F801 HydrophobicContact CG2-CD2 4.28Å; V786-F801 HydrophobicContact CG2-CE2 4.19Å; E792-F801 VanDerWaalsContact C-CE2 3.48Å; C794-F801 PolarHBondContact SG-N 3.41Å; C794-F801 VanDerWaalsContact SG-N 3.4Å |
| 802 | G | 81.2 | Confident | 84.9 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | -174.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G800 Q804 G805 | G800-G802 PolarHBondContact O-N 2.91Å; G802-Q804 PolarHBondContact O-N 2.45Å; G802-G805 PolarHBondContact N-O 3.38Å; G802-G805 PolarHBondContact O-N 2.91Å |
| 803 | P | 82 | Confident | 84.8 | Confident | 95 Ų | 95 | 43.7 Ų | 43.7 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.2 | -171 | 24.9 | -34.6 | 0 | 0 | 0 | 115 | K783 | K783-P803 VanDerWaalsContact CD-O 3.29Å; K783-P803 WeakPolarHBondContact CD-O 3.09Å; K783-P803 WeakPolarHBondContact CE-O 3.12Å; K783-P803 PolarHBondContact NZ-O 2.98Å |
| 804 | Q | 82.4 | Confident | 84.6 | Confident | 173 Ų | 173 | 44.2 Ų | 44.2 | 81% | 0.808 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -2 | 173.9 | -54 | -64.2 | 9.4 | 0 | 0 | 113.5 | G802 | G802-Q804 PolarHBondContact O-N 2.45Š|
| 805 | G | 84.4 | Confident | 84.4 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 101.5 | -136 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G802 | G802-G805 PolarHBondContact N-O 3.38Å; G802-G805 PolarHBondContact O-N 2.91Å |
| 806 | C | 88.5 | Confident | 84.6 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 158.8 | 173.2 | -58.3 | 0 | 0 | 0 | 0 | 111 | L784 H785 C794 T798 | L784-C806 PolarHBondContact O-N 2.89Å; H785-C806 HydrophobicContact CB-CB 3.95Å; H785-C806 PolarHBondContact CD2-O 3.19Å; H785-C806 VanDerWaalsContact CD2-O 3.25Å; C794-C806 WeakPolarHBondContact CA-SG 3.43Å; C794-C806 HydrophobicContact CB-CB 3.77Å; C794-C806 WeakPolarHBondContact CB-SG 3.4Å; C794-C806 WeakPolarHBondContact SG-CB 3.42Å; C794-C806 CovalentContact SG-SG 2.03Å; C794-C806 PolarHBondContact SG-SG 2.71Å; T798-C806 WeakPolarHBondContact OG1-CB 3.35Å |
| 807 | T | 87.2 | Confident | 84.5 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.7 | -174.8 | -54 | 0 | 0 | 0 | 0 | 110.9 | T798 F799 | T798-T807 CarbonylContact C-O 3.38Å; T798-T807 WeakPolarHBondContact CA-O 3.44Å; T798-T807 VanDerWaalsContact CB-O 3.23Å; T798-T807 WeakPolarHBondContact CB-O 3.47Å; F799-T807 WeakPolarHBondContact CD1-O 3.4Å; F799-T807 HydrophobicContact CE1-CG2 3.96Å; F799-T807 HydrophobicContact CZ-CG2 4.24Å; F799-T807 PolarHBondContact N-O 2.9Å; F799-T807 PolarHBondContact O-N 2.91Å |
| 808 | A | 85.5 | Confident | 84.5 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 146 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | F799 D810 | F799-A808 WeakPolarHBondContact CE1-O 3.32Å; A808-D810 VanDerWaalsContact CB-OD1 3.3Å; A808-D810 WeakPolarHBondContact CB-OD1 3.23Å |
| 809 | C | 86.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | trans | -68.3 | -39.2 | 179.7 | -74.1 | 0 | 0 | 0 | 0 | 113 | G797 C811 N819 C821 R837 | G797-C809 WeakPolarHBondContact O-CB 3.28Å; G797-C809 PolarHBondContact O-N 2.83Å; G797-C809 PolarHBondContact O-SG 2.97Å; C809-C811 PolarHBondContact O-N 3.18Å; C809-N819 WeakPolarHBondContact CB-O 3.36Å; C809-C821 WeakPolarHBondContact CA-SG 3.42Å; C809-C821 HydrophobicContact CB-CB 3.61Å; C809-C821 WeakPolarHBondContact CB-SG 3.37Å; C809-C821 WeakPolarHBondContact SG-CB 3.16Å; C809-C821 PolarHBondContact SG-N 2.83Å; C809-C821 CovalentContact SG-SG 2.03Å; C809-C821 PolarHBondContact SG-SG 2.86Å; C809-R837 PolarHBondContact O-NH1 2.89Å; C809-R837 PolarHBondContact O-NH2 2.69Å; C809-R837 VanDerWaalsContact O-NH2 3.11Å | ||
| 810 | D | 87.1 | Confident | 84 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | trans | 50.1 | 47.3 | 173.6 | -58.3 | -27.8 | 0 | 0 | 0 | 114.8 | A808 Q838 | A808-D810 VanDerWaalsContact CB-OD1 3.3Å; A808-D810 WeakPolarHBondContact CB-OD1 3.23Å; D810-Q838 WeakPolarHBondContact O-CB 3.41Å; D810-Q838 WeakPolarHBondContact O-CG 3.35Å; D810-Q838 PolarHBondContact O-NE2 3.49Å | ||
| 811 | C | 87 | Confident | 83.9 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 12% | 0.122 | 32% | 0.315 | C | S | . | . | trans | -75.3 | 131.6 | -177.1 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | C809 S813 D818 N819 C828 | C809-C811 PolarHBondContact O-N 3.18Å; C811-S813 PolarHBondContact O-N 2.84Å; C811-D818 VanDerWaalsContact CB-O 3.3Å; C811-D818 WeakPolarHBondContact CB-O 3.07Å; C811-D818 PolarHBondContact SG-O 3.08Å; C811-N819 PolarHBondContact N-OD1 3.23Å; C811-C828 WeakPolarHBondContact CA-SG 3.35Å; C811-C828 HydrophobicContact CB-CB 3.69Å; C811-C828 WeakPolarHBondContact CB-SG 3.23Å; C811-C828 WeakPolarHBondContact SG-CB 3.36Å; C811-C828 CovalentContact SG-SG 2.03Å; C811-C828 PolarHBondContact SG-SG 2.92Å | ||
| 812 | N | 83.9 | Confident | 83.7 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | trans | -64.4 | 119.7 | 179.7 | -176.3 | -60 | 0 | 0 | 0 | 110.8 | V814 G815 S816 Q838 D840 | N812-V814 PolarHBondContact O-N 2.88Å; N812-V814 VanDerWaalsContact O-N 3.15Å; N812-V814 WeakPolarHBondContact OD1-CB 3.47Å; N812-V814 PolarHBondContact OD1-N 3.36Å; N812-G815 PolarHBondContact O-N 3.17Å; N812-G815 PolarHBondContact OD1-N 2.95Å; N812-G815 VanDerWaalsContact OD1-N 3.1Å; N812-S816 PolarHBondContact N-OG 3.35Å; N812-S816 WeakPolarHBondContact O-CA 3.41Å; N812-S816 WeakPolarHBondContact O-CB 3.41Å; N812-S816 PolarHBondContact O-N 3.26Å; N812-S816 PolarHBondContact O-OG 3.39Å; N812-Q838 WeakPolarHBondContact CB-O 3.41Å; N812-Q838 PolarHBondContact N-O 3.04Å; N812-D840 HydrophobicContact CB-CB 4.25Å | ||
| 813 | S | 83.2 | Confident | 83.5 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 79% | 0.79 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.3 | -173.8 | 57.1 | 0 | 0 | 0 | 0 | 115.4 | C811 | C811-S813 PolarHBondContact O-N 2.84Š|
| 814 | V | 82.8 | Confident | 83.4 | Confident | 85 Ų | 85 | 65 Ų | 65 | 52% | 0.515 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -46.4 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | N812 R831 | N812-V814 PolarHBondContact O-N 2.88Å; N812-V814 VanDerWaalsContact O-N 3.15Å; N812-V814 WeakPolarHBondContact OD1-CB 3.47Å; N812-V814 PolarHBondContact OD1-N 3.36Å; V814-R831 VanDerWaalsContact O-CD 3.3Å; V814-R831 WeakPolarHBondContact O-CD 3.39Å; V814-R831 PolarHBondContact O-NE 3.07Å |
| 815 | G | 79.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -13.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | N812 C830 R831 C839 | N812-G815 PolarHBondContact O-N 3.17Å; N812-G815 PolarHBondContact OD1-N 2.95Å; N812-G815 VanDerWaalsContact OD1-N 3.1Å; G815-C830 CarbonylContact O-C 3.58Å; G815-C830 WeakPolarHBondContact O-CA 3.13Å; G815-R831 WeakPolarHBondContact O-CG 3.34Å; G815-R831 PolarHBondContact O-N 2.9Å; G815-C839 VanDerWaalsContact CA-O 3.3Å; G815-C839 WeakPolarHBondContact CA-O 3.16Å; G815-C839 WeakPolarHBondContact O-CB 3.49Å |
| 816 | S | 85.2 | Confident | 83.3 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 173.9 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | N812 K829 Q838 C839 | N812-S816 PolarHBondContact N-OG 3.35Å; N812-S816 WeakPolarHBondContact O-CA 3.41Å; N812-S816 WeakPolarHBondContact O-CB 3.41Å; N812-S816 PolarHBondContact O-N 3.26Å; N812-S816 PolarHBondContact O-OG 3.39Å; S816-K829 CarbonylContact C-O 3.5Å; S816-K829 WeakPolarHBondContact CA-O 3.44Å; S816-Q838 PolarHBondContact OG-O 2.9Å; S816-C839 WeakPolarHBondContact OG-CB 3.02Å; S816-C839 PolarHBondContact OG-SG 3.3Å; S816-C839 VanDerWaalsContact OG-SG 3.38Å |
| 817 | L | 79.5 | Confident | 83.3 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -98.7 | -37.9 | 173.4 | -60.1 | -179.7 | 0 | 0 | 0 | 114.6 | K829 | L817-K829 HydrophobicContact CB-CB 4.16Å; L817-K829 HydrophobicContact CD1-CB 3.98Å; L817-K829 HydrophobicContact CG-CB 4.14Å; L817-K829 PolarHBondContact N-O 2.88Å |
| 818 | D | 79.6 | Confident | 83.3 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | trans | -155.6 | 172.6 | 179.2 | 57.5 | 67 | 0 | 0 | 0 | 110.4 | C811 F820 K829 | C811-D818 VanDerWaalsContact CB-O 3.3Å; C811-D818 WeakPolarHBondContact CB-O 3.07Å; C811-D818 PolarHBondContact SG-O 3.08Å; D818-F820 WeakPolarHBondContact OD1-CB 3.29Å; D818-F820 PolarHBondContact OD1-N 2.62Å; D818-K829 IonicContact OD1-NZ 2.64Å; D818-K829 PolarHBondContact OD1-NZ 2.56Å; D818-K829 IonicContact OD2-NZ 2.74Å; D818-K829 PolarHBondContact OD2-NZ 2.85Å | ||
| 819 | N | 81.7 | Confident | 83.3 | Confident | 61 Ų | 61 | 64.7 Ų | 64.7 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -86.1 | -2.2 | 179.3 | -163 | 47.3 | 0 | 0 | 0 | 113.9 | E566 C809 C811 C821 | E566-N819 PolarHBondContact OE1-ND2 3.48Å; C809-N819 WeakPolarHBondContact CB-O 3.36Å; C811-N819 PolarHBondContact N-OD1 3.23Å; N819-C821 PolarHBondContact O-N 2.9Å |
| 820 | F | 82.8 | Confident | 83.2 | Confident | 95 Ų | 95 | 67 Ų | 67 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | trans | -87.8 | 104 | -177.9 | -61.8 | -67.5 | 0 | 0 | 0 | 110.7 | E566 D818 | E566-F820 HydrophobicContact CG-CE1 4.25Å; D818-F820 WeakPolarHBondContact OD1-CB 3.29Å; D818-F820 PolarHBondContact OD1-N 2.62Å | ||
| 821 | C | 85.1 | Confident | 82.9 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 11% | 0.108 | 36% | 0.362 | C | S | . | . | trans | -90 | 170.3 | 174.1 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | C809 N819 L823 G826 Q827 | C809-C821 WeakPolarHBondContact CA-SG 3.42Å; C809-C821 HydrophobicContact CB-CB 3.61Å; C809-C821 WeakPolarHBondContact CB-SG 3.37Å; C809-C821 WeakPolarHBondContact SG-CB 3.16Å; C809-C821 PolarHBondContact SG-N 2.83Å; C809-C821 CovalentContact SG-SG 2.03Å; C809-C821 PolarHBondContact SG-SG 2.86Å; N819-C821 PolarHBondContact O-N 2.9Å; C821-L823 PolarHBondContact O-N 3.02Å; C821-G826 WeakPolarHBondContact CB-O 3.48Å; C821-Q827 WeakPolarHBondContact CA-O 3.29Å | ||
| 822 | N | 81.9 | Confident | 82.5 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | trans | -67.4 | 123.7 | 175.3 | -178.1 | -68.4 | 0 | 0 | 0 | 111.2 | F799 K824 T825 G826 Q827 | F799-N822 WeakPolarHBondContact CB-O 3.39Å; N822-K824 PolarHBondContact O-N 3.31Å; N822-K824 PolarHBondContact OD1-N 3.37Å; N822-T825 VanDerWaalsContact CB-OG1 3.31Å; N822-T825 WeakPolarHBondContact CB-OG1 3.2Å; N822-T825 PolarHBondContact O-N 2.04Å; N822-T825 PolarHBondContact OD1-N 3.23Å; N822-G826 PolarHBondContact O-N 3.47Å; N822-Q827 PolarHBondContact N-O 2.94Å | ||
| 823 | L | 78.4 | Confident | 81.9 | Confident | 110 Ų | 110 | 77.3 Ų | 77.3 | 58% | 0.576 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -20 | -178 | -65.5 | 173.1 | 0 | 0 | 0 | 115.4 | T798 F799 G800 C821 | T798-L823 WeakPolarHBondContact O-CD2 3.24Å; F799-L823 WeakPolarHBondContact CA-O 3.21Å; G800-L823 PolarHBondContact N-O 3.45Å; C821-L823 PolarHBondContact O-N 3.02Å |
| 824 | K | 79.1 | Confident | 81.8 | Confident | 182 Ų | 182 | 72.8 Ų | 72.8 | 79% | 0.791 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -42.8 | 175.6 | -65.6 | -171 | 177.4 | -172.9 | 0 | 113.7 | N822 | N822-K824 PolarHBondContact O-N 3.31Å; N822-K824 PolarHBondContact OD1-N 3.37Å |
| 825 | T | 81.3 | Confident | 81.8 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -12.7 | -171 | 69.1 | 0 | 0 | 0 | 0 | 115 | N822 Q827 | N822-T825 VanDerWaalsContact CB-OG1 3.31Å; N822-T825 WeakPolarHBondContact CB-OG1 3.2Å; N822-T825 PolarHBondContact O-N 2.04Å; N822-T825 PolarHBondContact OD1-N 3.23Å; T825-Q827 PolarHBondContact O-N 2.83Å; T825-Q827 VanDerWaalsContact O-N 3.14Å |
| 826 | G | 84.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | 68.8 | 5.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F799 C821 N822 C828 R837 | F799-G826 VanDerWaalsContact CD2-N 3.31Å; C821-G826 WeakPolarHBondContact CB-O 3.48Å; N822-G826 PolarHBondContact O-N 3.47Å; G826-C828 PolarHBondContact O-N 3.06Å; G826-R837 VanDerWaalsContact O-CG 3.23Å; G826-R837 WeakPolarHBondContact O-CG 3.46Å; G826-R837 PolarHBondContact O-NH1 2.04Å | ||
| 827 | Q | 86.7 | Confident | 82 | Confident | 85 Ų | 85 | 79.3 Ų | 79.3 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | trans | -72.4 | 126.1 | -177.2 | -177.2 | 59.9 | 53.2 | 0 | 0 | 111.7 | C821 N822 T825 G836 R837 | C821-Q827 WeakPolarHBondContact CA-O 3.29Å; N822-Q827 PolarHBondContact N-O 2.94Å; T825-Q827 PolarHBondContact O-N 2.83Å; T825-Q827 VanDerWaalsContact O-N 3.14Å; Q827-G836 PolarHBondContact NE2-O 2.9Å; Q827-G836 VanDerWaalsContact NE2-O 3.08Å; Q827-R837 PolarHBondContact NE2-O 3.2Å | ||
| 828 | C | 88.2 | Confident | 82.5 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.034 | 37% | 0.372 | C | S | . | . | trans | -83.6 | 163.7 | 170 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | C811 G826 R837 | C811-C828 WeakPolarHBondContact CA-SG 3.35Å; C811-C828 HydrophobicContact CB-CB 3.69Å; C811-C828 WeakPolarHBondContact CB-SG 3.23Å; C811-C828 WeakPolarHBondContact SG-CB 3.36Å; C811-C828 CovalentContact SG-SG 2.03Å; C811-C828 PolarHBondContact SG-SG 2.92Å; G826-C828 PolarHBondContact O-N 3.06Å; C828-R837 WeakPolarHBondContact CB-O 3.22Å; C828-R837 PolarHBondContact N-O 3Å; C828-R837 PolarHBondContact SG-O 3.05Å; C828-R837 VanDerWaalsContact SG-O 3.37Å | ||
| 829 | K | 86.1 | Confident | 82.9 | Confident | 99 Ų | 99 | 73.9 Ų | 73.9 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | trans | -92.2 | 107.1 | -177.9 | -56.3 | 169.4 | -167.6 | 118.7 | 0 | 110.5 | S816 L817 D818 | S816-K829 CarbonylContact C-O 3.5Å; S816-K829 WeakPolarHBondContact CA-O 3.44Å; L817-K829 HydrophobicContact CB-CB 4.16Å; L817-K829 HydrophobicContact CD1-CB 3.98Å; L817-K829 HydrophobicContact CG-CB 4.14Å; L817-K829 PolarHBondContact N-O 2.88Å; D818-K829 IonicContact OD1-NZ 2.64Å; D818-K829 PolarHBondContact OD1-NZ 2.56Å; D818-K829 IonicContact OD2-NZ 2.74Å; D818-K829 PolarHBondContact OD2-NZ 2.85Å | ||
| 830 | C | 84.8 | Confident | 83.1 | Confident | 49 Ų | 49 | 73.1 Ų | 73.1 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -91.6 | 161.4 | -169.4 | -51.4 | 0 | 0 | 0 | 0 | 116.2 | G815 G836 C839 | G815-C830 CarbonylContact O-C 3.58Å; G815-C830 WeakPolarHBondContact O-CA 3.13Å; C830-G836 PolarHBondContact SG-O 3.06Å; C830-C839 WeakPolarHBondContact CA-SG 3.29Å; C830-C839 HydrophobicContact CB-CB 3.54Å; C830-C839 WeakPolarHBondContact CB-SG 3.46Å; C830-C839 PolarHBondContact N-SG 3.5Å; C830-C839 VanDerWaalsContact N-SG 3.37Å; C830-C839 WeakPolarHBondContact SG-CB 3.43Å; C830-C839 CovalentContact SG-SG 2.03Å; C830-C839 PolarHBondContact SG-SG 2.88Å |
| 831 | R | 80.7 | Confident | 83.2 | Confident | 143 Ų | 143 | 72.4 Ų | 72.4 | 54% | 0.54 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 167.1 | 169.5 | -64.9 | 179.5 | -170.3 | -110.1 | 0.3 | 113.1 | V814 G815 V834 | V814-R831 VanDerWaalsContact O-CD 3.3Å; V814-R831 WeakPolarHBondContact O-CD 3.39Å; V814-R831 PolarHBondContact O-NE 3.07Å; G815-R831 WeakPolarHBondContact O-CG 3.34Å; G815-R831 PolarHBondContact O-N 2.9Å; R831-V834 PolarHBondContact O-N 3.29Å |
| 832 | E | 77.2 | Confident | 83 | Confident | 195 Ų | 195 | 71.7 Ų | 71.7 | 91% | 0.911 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 144.7 | -179.6 | -170.8 | 171.2 | -164.2 | 0 | 0 | 112.8 | V834 | E832-V834 PolarHBondContact O-N 3.25Å; E832-V834 VanDerWaalsContact O-N 3.1Å |
| 833 | G | 72.1 | Confident | 82.9 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -13.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q843 | G833-Q843 PolarHBondContact O-N 2.97Š|
| 834 | V | 81.4 | Confident | 82.7 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 11% | 0.109 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 146.5 | -179 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | R831 E832 C839 Q841 F849 | R831-V834 PolarHBondContact O-N 3.29Å; E832-V834 PolarHBondContact O-N 3.25Å; E832-V834 VanDerWaalsContact O-N 3.1Å; V834-C839 HydrophobicContact CG1-CB 4.18Å; V834-C839 WeakPolarHBondContact CG1-O 3.38Å; V834-Q841 CarbonylContact C-O 3.47Å; V834-Q841 VanDerWaalsContact CA-O 3.29Å; V834-Q841 WeakPolarHBondContact CA-O 3.05Å; V834-F849 HydrophobicContact CB-CE2 4.46Å; V834-F849 HydrophobicContact CG1-CD2 4.48Å; V834-F849 HydrophobicContact CG1-CE2 3.8Å; V834-F849 HydrophobicContact CG2-CD2 4.15Å; V834-F849 HydrophobicContact CG2-CE2 3.78Å |
| 835 | Y | 82.5 | Confident | 82.3 | Confident | 149 Ų | 149 | 64.7 Ų | 64.7 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 171.4 | -179.2 | 178.6 | -104.7 | 0 | 0 | 0 | 111.4 | C839 D840 Q841 | Y835-C839 CarbonylContact O-C 3.39Å; Y835-C839 WeakPolarHBondContact O-CA 3.28Å; Y835-D840 PolarHBondContact O-N 3.04Å; Y835-Q841 PolarHBondContact N-O 2.8Å; Y835-Q841 PolarHBondContact O-N 2.84Å |
| 836 | G | 81.3 | Confident | 82.3 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 118.9 | 160.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q827 C830 Q838 C839 | Q827-G836 PolarHBondContact NE2-O 2.9Å; Q827-G836 VanDerWaalsContact NE2-O 3.08Å; C830-G836 PolarHBondContact SG-O 3.06Å; G836-Q838 PolarHBondContact O-N 2.88Å; G836-C839 PolarHBondContact O-N 2.01Å |
| 837 | R | 87.1 | Confident | 82.3 | Confident | 74 Ų | 74 | 68 Ų | 68 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -39.6 | 171.6 | -173.5 | -168.8 | 72.9 | 77.9 | -6.3 | 110.7 | C809 G826 Q827 C828 | C809-R837 PolarHBondContact O-NH1 2.89Å; C809-R837 PolarHBondContact O-NH2 2.69Å; C809-R837 VanDerWaalsContact O-NH2 3.11Å; G826-R837 VanDerWaalsContact O-CG 3.23Å; G826-R837 WeakPolarHBondContact O-CG 3.46Å; G826-R837 PolarHBondContact O-NH1 2.04Å; Q827-R837 PolarHBondContact NE2-O 3.2Å; C828-R837 WeakPolarHBondContact CB-O 3.22Å; C828-R837 PolarHBondContact N-O 3Å; C828-R837 PolarHBondContact SG-O 3.05Å; C828-R837 VanDerWaalsContact SG-O 3.37Å |
| 838 | Q | 90.1 | Very high | 82 | Confident | 61 Ų | 61 | 65 Ų | 65 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -2.5 | -178.1 | -59.3 | 173.7 | -58.7 | 0 | 0 | 112.6 | D810 N812 S816 G836 | D810-Q838 WeakPolarHBondContact O-CB 3.41Å; D810-Q838 WeakPolarHBondContact O-CG 3.35Å; D810-Q838 PolarHBondContact O-NE2 3.49Å; N812-Q838 WeakPolarHBondContact CB-O 3.41Å; N812-Q838 PolarHBondContact N-O 3.04Å; S816-Q838 PolarHBondContact OG-O 2.9Å; G836-Q838 PolarHBondContact O-N 2.88Å |
| 839 | C | 87.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 55.1 | -177.9 | -42.1 | 0 | 0 | 0 | 0 | 113.3 | G815 S816 C830 V834 Y835 G836 | G815-C839 VanDerWaalsContact CA-O 3.3Å; G815-C839 WeakPolarHBondContact CA-O 3.16Å; G815-C839 WeakPolarHBondContact O-CB 3.49Å; S816-C839 WeakPolarHBondContact OG-CB 3.02Å; S816-C839 PolarHBondContact OG-SG 3.3Å; S816-C839 VanDerWaalsContact OG-SG 3.38Å; C830-C839 WeakPolarHBondContact CA-SG 3.29Å; C830-C839 HydrophobicContact CB-CB 3.54Å; C830-C839 WeakPolarHBondContact CB-SG 3.46Å; C830-C839 PolarHBondContact N-SG 3.5Å; C830-C839 VanDerWaalsContact N-SG 3.37Å; C830-C839 WeakPolarHBondContact SG-CB 3.43Å; C830-C839 CovalentContact SG-SG 2.03Å; C830-C839 PolarHBondContact SG-SG 2.88Å; V834-C839 HydrophobicContact CG1-CB 4.18Å; V834-C839 WeakPolarHBondContact CG1-O 3.38Å; Y835-C839 CarbonylContact O-C 3.39Å; Y835-C839 WeakPolarHBondContact O-CA 3.28Å; G836-C839 PolarHBondContact O-N 2.01Å |
| 840 | D | 85.8 | Confident | 80.9 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | trans | -122.2 | -1.1 | -166.2 | 59.8 | -58.6 | 0 | 0 | 0 | 114.6 | N812 Y835 | N812-D840 HydrophobicContact CB-CB 4.25Å; Y835-D840 PolarHBondContact O-N 3.04Å | ||
| 841 | Q | 84.8 | Confident | 80.6 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 160.3 | -167.4 | -68.2 | 167.9 | 29.8 | 0 | 0 | 113.1 | V834 Y835 | V834-Q841 CarbonylContact C-O 3.47Å; V834-Q841 VanDerWaalsContact CA-O 3.29Å; V834-Q841 WeakPolarHBondContact CA-O 3.05Å; Y835-Q841 PolarHBondContact N-O 2.8Å; Y835-Q841 PolarHBondContact O-N 2.84Å |
| 842 | C | 82 | Confident | 80.6 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 159.3 | 170.6 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | F846 F849 C852 Q866 | C842-F846 HydrophobicContact CB-CB 4.41Å; C842-F849 PolarHBondContact SG-N 3.15Å; C842-F849 VanDerWaalsContact SG-N 3.44Å; C842-C852 VanDerWaalsContact CA-SG 3.59Å; C842-C852 HydrophobicContact CB-CB 3.9Å; C842-C852 WeakPolarHBondContact CB-SG 3.41Å; C842-C852 VanDerWaalsContact SG-CA 3.58Å; C842-C852 WeakPolarHBondContact SG-CB 3.26Å; C842-C852 CovalentContact SG-SG 2.05Å; C842-C852 PolarHBondContact SG-SG 2.88Å; C842-Q866 PolarHBondContact O-NE2 3.11Å; C842-Q866 PolarHBondContact O-OE1 2.83Å |
| 843 | Q | 79.3 | Confident | 80.7 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 147.8 | 166.4 | -72.3 | -175.6 | -29.1 | 0 | 0 | 111.7 | G833 F846 | G833-Q843 PolarHBondContact O-N 2.97Å; Q843-F846 PolarHBondContact O-N 2.9Å |
| 844 | P | 73.2 | Confident | 81.1 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 67% | 0.669 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 140.3 | 179.1 | -27.4 | 35.5 | 0 | 0 | 0 | 113.7 | ||
| 845 | G | 71.5 | Confident | 81 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -0.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C855 | G845-C855 PolarHBondContact O-SG 3.25Š|
| 846 | F | 82 | Confident | 81 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 39% | 0.386 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152.9 | 176.4 | -63.5 | -101.2 | 0 | 0 | 0 | 113.3 | C842 Q843 C852 R853 | C842-F846 HydrophobicContact CB-CB 4.41Å; Q843-F846 PolarHBondContact O-N 2.9Å; F846-C852 HydrophobicContact CB-CB 3.96Å; F846-C852 WeakPolarHBondContact CD1-O 3.39Å; F846-R853 CarbonylContact C-O 3.55Å; F846-R853 WeakPolarHBondContact CA-O 3.32Å |
| 847 | W | 83.5 | Confident | 81.2 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.6 | -177.6 | 71.3 | -86.8 | 0 | 0 | 0 | 114 | C852 R853 Q854 D865 Q866 | W847-C852 CarbonylContact O-C 3.58Å; W847-C852 VanDerWaalsContact O-CA 3.3Å; W847-C852 WeakPolarHBondContact O-CA 3.38Å; W847-R853 PolarHBondContact N-O 2.8Å; W847-R853 PolarHBondContact O-N 3.42Å; W847-Q854 PolarHBondContact NE1-O 3.14Å; W847-D865 WeakPolarHBondContact CB-O 3.38Å; W847-Q866 CarbonylContact C-O 3.28Å; W847-Q866 WeakPolarHBondContact CA-O 3.4Å |
| 848 | G | 81.1 | Confident | 80.8 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 92.1 | 57.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E851 C852 Q866 | G848-E851 WeakPolarHBondContact O-CA 3.4Å; G848-E851 PolarHBondContact O-N 3.19Å; G848-C852 PolarHBondContact O-N 3.27Å; G848-Q866 PolarHBondContact N-O 2.85Å |
| 849 | F | 76.2 | Confident | 80.2 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 30% | 0.303 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 134.6 | 170.4 | 176 | -88.7 | 0 | 0 | 0 | 110.8 | V834 C842 | V834-F849 HydrophobicContact CB-CE2 4.46Å; V834-F849 HydrophobicContact CG1-CD2 4.48Å; V834-F849 HydrophobicContact CG1-CE2 3.8Å; V834-F849 HydrophobicContact CG2-CD2 4.15Å; V834-F849 HydrophobicContact CG2-CE2 3.78Å; C842-F849 PolarHBondContact SG-N 3.15Å; C842-F849 VanDerWaalsContact SG-N 3.44Å |
| 850 | P | 75.1 | Confident | 79.9 | Confident | 89 Ų | 89 | 71 Ų | 71 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.9 | 8.2 | 8.9 | 36.8 | -36.9 | 0 | 0 | 0 | 115.9 | ||
| 851 | E | 77.5 | Confident | 79.7 | Confident | 133 Ų | 133 | 69.4 Ų | 69.4 | 62% | 0.621 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -37 | -177.6 | -72 | -170.4 | -179.7 | 0 | 0 | 115.3 | G848 R853 | G848-E851 WeakPolarHBondContact O-CA 3.4Å; G848-E851 PolarHBondContact O-N 3.19Å; E851-R853 IonicContact OE2-CZ 2.71Å; E851-R853 VanDerWaalsContact OE2-CZ 3.28Å; E851-R853 IonicContact OE2-NE 3.46Å; E851-R853 PolarHBondContact OE2-NE 2.89Å; E851-R853 VanDerWaalsContact OE2-NE 3.08Å; E851-R853 IonicContact OE2-NH2 3.29Å; E851-R853 PolarHBondContact OE2-NH2 3.08Å |
| 852 | C | 80.6 | Confident | 79.3 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | trans | 55.7 | 98.5 | 176.9 | -53.8 | 0 | 0 | 0 | 0 | 116.2 | C842 F846 W847 G848 | C842-C852 VanDerWaalsContact CA-SG 3.59Å; C842-C852 HydrophobicContact CB-CB 3.9Å; C842-C852 WeakPolarHBondContact CB-SG 3.41Å; C842-C852 VanDerWaalsContact SG-CA 3.58Å; C842-C852 WeakPolarHBondContact SG-CB 3.26Å; C842-C852 CovalentContact SG-SG 2.05Å; C842-C852 PolarHBondContact SG-SG 2.88Å; F846-C852 HydrophobicContact CB-CB 3.96Å; F846-C852 WeakPolarHBondContact CD1-O 3.39Å; W847-C852 CarbonylContact O-C 3.58Å; W847-C852 VanDerWaalsContact O-CA 3.3Å; W847-C852 WeakPolarHBondContact O-CA 3.38Å; G848-C852 PolarHBondContact O-N 3.27Å | ||
| 853 | R | 79.2 | Confident | 79 | Confident | 136 Ų | 136 | 75 Ų | 75 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 163.1 | -174.7 | -53.1 | 175.6 | -177.5 | -179.6 | 0.1 | 112.8 | F846 W847 E851 | F846-R853 CarbonylContact C-O 3.55Å; F846-R853 WeakPolarHBondContact CA-O 3.32Å; W847-R853 PolarHBondContact N-O 2.8Å; W847-R853 PolarHBondContact O-N 3.42Å; E851-R853 IonicContact OE2-CZ 2.71Å; E851-R853 VanDerWaalsContact OE2-CZ 3.28Å; E851-R853 IonicContact OE2-NE 3.46Å; E851-R853 PolarHBondContact OE2-NE 2.89Å; E851-R853 VanDerWaalsContact OE2-NE 3.08Å; E851-R853 IonicContact OE2-NH2 3.29Å; E851-R853 PolarHBondContact OE2-NH2 3.08Å |
| 854 | Q | 80.9 | Confident | 79 | Confident | 152 Ų | 152 | 70.3 Ų | 70.3 | 71% | 0.71 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 158.4 | -171.8 | -160.1 | 173.5 | 14.5 | 0 | 0 | 116.1 | W847 | W847-Q854 PolarHBondContact NE1-O 3.14Å |
| 855 | C | 79.4 | Confident | 79.2 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | trans | -82.8 | 162.6 | -174.5 | -53 | 0 | 0 | 0 | 0 | 117.2 | G845 C864 | G845-C855 PolarHBondContact O-SG 3.25Å; C855-C864 VanDerWaalsContact CA-SG 3.52Å; C855-C864 HydrophobicContact CB-CB 3.58Å; C855-C864 WeakPolarHBondContact CB-SG 3.34Å; C855-C864 WeakPolarHBondContact SG-CB 3.21Å; C855-C864 PolarHBondContact SG-N 2.93Å; C855-C864 CovalentContact SG-SG 2.03Å; C855-C864 PolarHBondContact SG-SG 3.1Å | ||
| 856 | Q | 83.1 | Confident | 79.4 | Confident | 147 Ų | 147 | 69.8 Ų | 69.8 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | trans | -148.1 | 108.8 | 179.1 | -61.9 | -177.2 | 0.4 | 0 | 0 | 114.1 | C871 H882 | Q856-C871 PolarHBondContact O-SG 3.44Å; Q856-H882 PolarHBondContact O-CD2 3.47Å; Q856-H882 VanDerWaalsContact O-CD2 3.31Å | ||
| 857 | C | 85 | Confident | 78.9 | Confident | 14 Ų | 14 | 74.1 Ų | 74.1 | 10% | 0.095 | 38% | 0.382 | C | S | . | . | trans | -135.9 | 31.5 | -160.8 | -60.1 | 0 | 0 | 0 | 0 | 119.2 | G859 H860 A861 C871 H882 | C857-G859 PolarHBondContact O-N 2.67Å; C857-H860 PolarHBondContact O-N 2.88Å; C857-A861 HydrophobicContact CB-CB 3.88Å; C857-A861 VanDerWaalsContact CB-O 3.26Å; C857-A861 WeakPolarHBondContact CB-O 3.33Å; C857-C871 WeakPolarHBondContact CA-SG 3.35Å; C857-C871 HydrophobicContact CB-CB 3.78Å; C857-C871 WeakPolarHBondContact CB-SG 3.36Å; C857-C871 WeakPolarHBondContact SG-CB 3.02Å; C857-C871 CovalentContact SG-SG 2.02Å; C857-C871 PolarHBondContact SG-SG 2.99Å; C857-H882 CarbonylContact C-O 3.58Å | ||
| 858 | N | 78.4 | Confident | 78.6 | Confident | 68 Ų | 68 | 74.4 Ų | 74.4 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 22.1 | 179.9 | -69 | -47.4 | 0 | 0 | 0 | 116.5 | H860 H882 I896 | N858-H860 VanDerWaalsContact C-N 3.31Å; N858-H860 PolarHBondContact O-CD2 2.73Å; N858-H860 PolarHBondContact O-N 2.74Å; N858-H882 VanDerWaalsContact CB-O 3.26Å; N858-H882 WeakPolarHBondContact CB-O 3.45Å; N858-H882 WeakPolarHBondContact ND2-CB 3.36Å; N858-H882 PolarHBondContact ND2-O 2.68Å; N858-I896 WeakPolarHBondContact O-CD1 3.43Å |
| 859 | G | 77.4 | Confident | 78.5 | Confident | 62 Ų | 62 | 74 Ų | 74 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -12.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C857 R875 | C857-G859 PolarHBondContact O-N 2.67Å; G859-R875 PolarHBondContact O-NH2 2.75Å; G859-R875 VanDerWaalsContact O-NH2 3.12Å |
| 860 | H | 81.7 | Confident | 78.6 | Confident | 30 Ų | 30 | 71.5 Ų | 71.5 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.2 | -174.8 | -62.2 | -74.2 | 0 | 0 | 0 | 114.3 | C857 N858 R875 D876 C883 | C857-H860 PolarHBondContact O-N 2.88Å; N858-H860 VanDerWaalsContact C-N 3.31Å; N858-H860 PolarHBondContact O-CD2 2.73Å; N858-H860 PolarHBondContact O-N 2.74Å; H860-R875 VanDerWaalsContact O-CB 3.3Å; H860-R875 WeakPolarHBondContact O-CB 3.42Å; H860-R875 VanDerWaalsContact O-CG 3.25Å; H860-R875 WeakPolarHBondContact O-CG 3.35Å; H860-R875 PolarHBondContact O-N 3.16Å; H860-R875 PolarHBondContact O-NE 3.34Å; H860-D876 IonicContact CE1-OD2 3.42Å; H860-D876 PolarHBondContact CE1-OD2 3.47Å; H860-D876 IonicContact ND1-OD2 2.65Å; H860-D876 PolarHBondContact ND1-OD2 3Å; H860-C883 HydrophobicContact CB-CB 3.6Å |
| 861 | A | 82.1 | Confident | 79 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | trans | -145.6 | 153.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C857 C871 I872 | C857-A861 HydrophobicContact CB-CB 3.88Å; C857-A861 VanDerWaalsContact CB-O 3.26Å; C857-A861 WeakPolarHBondContact CB-O 3.33Å; A861-C871 HydrophobicContact CB-CB 4.01Å; A861-I872 VanDerWaalsContact CB-O 3.23Å; A861-I872 WeakPolarHBondContact CB-O 3.32Å | ||
| 862 | D | 75.8 | Confident | 79 | Confident | 124 Ų | 124 | 65 Ų | 65 | 66% | 0.663 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -111.2 | -4.5 | -176.9 | -55 | -43 | 0 | 0 | 0 | 113 | R875 | D862-R875 IonicContact OD1-NH2 3.49Å; D862-R875 PolarHBondContact OD1-NH2 2.88Å; D862-R875 VanDerWaalsContact OD1-NH2 3.17Å; D862-R875 IonicContact OD2-CZ 2.7Å; D862-R875 IonicContact OD2-NH1 3.95Å; D862-R875 PolarHBondContact OD2-NH1 2.69Å; D862-R875 IonicContact OD2-NH2 2.56Å; D862-R875 PolarHBondContact OD2-NH2 2.77Å |
| 863 | I | 75.6 | Confident | 78.8 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153.9 | -177.6 | -6.5 | 173.5 | 0 | 0 | 0 | 110.1 | I872 | I863-I872 HydrophobicContact CB-CB 4.49Å; I863-I872 PolarHBondContact O-N 2.92Å |
| 864 | C | 80.8 | Confident | 78.9 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.027 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 159.6 | 175.4 | 68.9 | 0 | 0 | 0 | 0 | 112.9 | C855 Q866 G869 A870 I872 | C855-C864 VanDerWaalsContact CA-SG 3.52Å; C855-C864 HydrophobicContact CB-CB 3.58Å; C855-C864 WeakPolarHBondContact CB-SG 3.34Å; C855-C864 WeakPolarHBondContact SG-CB 3.21Å; C855-C864 PolarHBondContact SG-N 2.93Å; C855-C864 CovalentContact SG-SG 2.03Å; C855-C864 PolarHBondContact SG-SG 3.1Å; C864-Q866 PolarHBondContact O-N 2.7Å; C864-G869 WeakPolarHBondContact CB-O 3.49Å; C864-A870 CarbonylContact C-O 3.6Å; C864-A870 WeakPolarHBondContact CA-O 3.03Å; C864-A870 VanDerWaalsContact CB-O 3.26Å; C864-A870 WeakPolarHBondContact CB-O 3.32Å; C864-I872 VanDerWaalsContact C-CD1 3.46Å |
| 865 | D | 77.4 | Confident | 78.9 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 32% | 0.316 | 34% | 0.344 | S | S | . | . | trans | -59.4 | 127.6 | 177 | 171.2 | -97.4 | 0 | 0 | 0 | 111.3 | W847 K867 T868 G869 A870 | W847-D865 WeakPolarHBondContact CB-O 3.38Å; D865-K867 PolarHBondContact O-N 2.72Å; D865-K867 WeakPolarHBondContact OD1-CA 3.2Å; D865-K867 PolarHBondContact OD1-N 2.82Å; D865-T868 WeakPolarHBondContact CB-OG1 3.37Å; D865-T868 PolarHBondContact O-N 3.01Å; D865-T868 WeakPolarHBondContact OD1-CB 3.46Å; D865-T868 WeakPolarHBondContact OD1-CG2 3.35Å; D865-T868 PolarHBondContact OD1-N 3.42Å; D865-T868 PolarHBondContact OD1-OG1 3.08Å; D865-G869 PolarHBondContact O-N 3.25Å; D865-A870 HydrophobicContact CB-CB 4.31Å; D865-A870 PolarHBondContact N-O 3.08Å | ||
| 866 | Q | 74.5 | Confident | 78.8 | Confident | 58 Ų | 58 | 68.5 Ų | 68.5 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -4 | -172.1 | -61.7 | -164.9 | 2.8 | 0 | 0 | 114.6 | C842 W847 G848 C864 | C842-Q866 PolarHBondContact O-NE2 3.11Å; C842-Q866 PolarHBondContact O-OE1 2.83Å; W847-Q866 CarbonylContact C-O 3.28Å; W847-Q866 WeakPolarHBondContact CA-O 3.4Å; G848-Q866 PolarHBondContact N-O 2.85Å; C864-Q866 PolarHBondContact O-N 2.7Å |
| 867 | K | 71.7 | Confident | 78.8 | Confident | 179 Ų | 179 | 64.6 Ų | 64.6 | 78% | 0.778 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -37.3 | 175.7 | -76.8 | -178.7 | 176.2 | 174.3 | 0 | 113.2 | D865 | D865-K867 PolarHBondContact O-N 2.72Å; D865-K867 WeakPolarHBondContact OD1-CA 3.2Å; D865-K867 PolarHBondContact OD1-N 2.82Å |
| 868 | T | 77.6 | Confident | 78.6 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -17 | -166.6 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | D865 A870 | D865-T868 WeakPolarHBondContact CB-OG1 3.37Å; D865-T868 PolarHBondContact O-N 3.01Å; D865-T868 WeakPolarHBondContact OD1-CB 3.46Å; D865-T868 WeakPolarHBondContact OD1-CG2 3.35Å; D865-T868 PolarHBondContact OD1-N 3.42Å; D865-T868 PolarHBondContact OD1-OG1 3.08Å; T868-A870 PolarHBondContact O-N 3.29Å; T868-A870 VanDerWaalsContact OG1-CB 3.3Å; T868-A870 WeakPolarHBondContact OG1-CB 3.03Å; T868-A870 PolarHBondContact OG1-N 3.29Å |
| 869 | G | 78.1 | Confident | 78.4 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 12% | 0.124 | 34% | 0.338 | C | S | . | . | trans | 73.7 | 4.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C864 D865 | C864-G869 WeakPolarHBondContact CB-O 3.49Å; D865-G869 PolarHBondContact O-N 3.25Å | ||
| 870 | A | 79 | Confident | 78.3 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 137 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C864 D865 T868 H881 | C864-A870 CarbonylContact C-O 3.6Å; C864-A870 WeakPolarHBondContact CA-O 3.03Å; C864-A870 VanDerWaalsContact CB-O 3.26Å; C864-A870 WeakPolarHBondContact CB-O 3.32Å; D865-A870 HydrophobicContact CB-CB 4.31Å; D865-A870 PolarHBondContact N-O 3.08Å; T868-A870 PolarHBondContact O-N 3.29Å; T868-A870 VanDerWaalsContact OG1-CB 3.3Å; T868-A870 WeakPolarHBondContact OG1-CB 3.03Å; T868-A870 PolarHBondContact OG1-N 3.29Å; A870-H881 WeakPolarHBondContact CA-O 3.29Å; A870-H881 VanDerWaalsContact CB-ND1 3.32Å; A870-H881 WeakPolarHBondContact CB-ND1 3.25Å |
| 871 | C | 82.8 | Confident | 78.2 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134 | -173.6 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | Q856 C857 A861 H881 | Q856-C871 PolarHBondContact O-SG 3.44Å; C857-C871 WeakPolarHBondContact CA-SG 3.35Å; C857-C871 HydrophobicContact CB-CB 3.78Å; C857-C871 WeakPolarHBondContact CB-SG 3.36Å; C857-C871 WeakPolarHBondContact SG-CB 3.02Å; C857-C871 CovalentContact SG-SG 2.02Å; C857-C871 PolarHBondContact SG-SG 2.99Å; A861-C871 HydrophobicContact CB-CB 4.01Å; C871-H881 PolarHBondContact N-O 3.27Å; C871-H881 PolarHBondContact SG-O 3.5Å; C871-H881 VanDerWaalsContact SG-O 3.38Å |
| 872 | I | 77.3 | Confident | 78.3 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 35% | 0.354 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.5 | 177.8 | -63.9 | 171.2 | 0 | 0 | 0 | 108.3 | A861 I863 C864 | A861-I872 VanDerWaalsContact CB-O 3.23Å; A861-I872 WeakPolarHBondContact CB-O 3.32Å; I863-I872 HydrophobicContact CB-CB 4.49Å; I863-I872 PolarHBondContact O-N 2.92Å; C864-I872 VanDerWaalsContact C-CD1 3.46Å |
| 873 | E | 77.9 | Confident | 78.8 | Confident | 158 Ų | 158 | 61.9 Ų | 61.9 | 74% | 0.738 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 56.5 | 58.4 | 178.3 | -68.4 | 174.5 | -167.7 | 0 | 0 | 113.7 | R875 | E873-R875 PolarHBondContact O-N 3.1Å; E873-R875 VanDerWaalsContact O-N 3.12Å |
| 874 | C | 79.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | trans | -54.3 | 116.2 | 165.3 | -67.3 | 0 | 0 | 0 | 0 | 110.8 | A878 C883 | C874-A878 HydrophobicContact CB-CB 4.31Å; C874-A878 WeakPolarHBondContact CB-O 3.12Å; C874-C883 VanDerWaalsContact CA-SG 3.51Å; C874-C883 HydrophobicContact CB-CB 3.69Å; C874-C883 WeakPolarHBondContact CB-SG 3.13Å; C874-C883 WeakPolarHBondContact SG-CA 3.38Å; C874-C883 WeakPolarHBondContact SG-CB 3.15Å; C874-C883 CovalentContact SG-SG 2.03Å; C874-C883 PolarHBondContact SG-SG 3.27Å | ||
| 875 | R | 82.5 | Confident | 79.2 | Confident | 113 Ų | 113 | 65.5 Ų | 65.5 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -69.2 | 172.3 | 174.6 | -66.4 | 179.7 | -73.6 | -134.8 | -3.5 | 111.4 | G859 H860 D862 E873 L877 A878 | G859-R875 PolarHBondContact O-NH2 2.75Å; G859-R875 VanDerWaalsContact O-NH2 3.12Å; H860-R875 VanDerWaalsContact O-CB 3.3Å; H860-R875 WeakPolarHBondContact O-CB 3.42Å; H860-R875 VanDerWaalsContact O-CG 3.25Å; H860-R875 WeakPolarHBondContact O-CG 3.35Å; H860-R875 PolarHBondContact O-N 3.16Å; H860-R875 PolarHBondContact O-NE 3.34Å; D862-R875 IonicContact OD1-NH2 3.49Å; D862-R875 PolarHBondContact OD1-NH2 2.88Å; D862-R875 VanDerWaalsContact OD1-NH2 3.17Å; D862-R875 IonicContact OD2-CZ 2.7Å; D862-R875 IonicContact OD2-NH1 3.95Å; D862-R875 PolarHBondContact OD2-NH1 2.69Å; D862-R875 IonicContact OD2-NH2 2.56Å; D862-R875 PolarHBondContact OD2-NH2 2.77Å; E873-R875 PolarHBondContact O-N 3.1Å; E873-R875 VanDerWaalsContact O-N 3.12Å; R875-L877 VanDerWaalsContact C-N 3.33Å; R875-L877 PolarHBondContact O-N 2.75Å; R875-A878 WeakPolarHBondContact O-CB 3.45Å; R875-A878 PolarHBondContact O-N 2.76Å |
| 876 | D | 77.2 | Confident | 79.4 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 29.1 | 169.4 | -46.1 | -57.3 | 0 | 0 | 0 | 116.1 | H860 A878 | H860-D876 IonicContact CE1-OD2 3.42Å; H860-D876 PolarHBondContact CE1-OD2 3.47Å; H860-D876 IonicContact ND1-OD2 2.65Å; H860-D876 PolarHBondContact ND1-OD2 3Å; D876-A878 PolarHBondContact O-N 3.36Å |
| 877 | L | 82.5 | Confident | 79.7 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 21.5 | -175.8 | -57.4 | 167.4 | 0 | 0 | 0 | 113.5 | R875 Q887 Y890 C902 | R875-L877 VanDerWaalsContact C-N 3.33Å; R875-L877 PolarHBondContact O-N 2.75Å; L877-Q887 PolarHBondContact O-N 3.08Å; L877-Y890 HydrophobicContact CD1-CD1 3.92Å; L877-Y890 HydrophobicContact CD1-CE1 3.69Å; L877-Y890 HydrophobicContact CD2-CE1 4.11Å; L877-Y890 HydrophobicContact CD2-CE2 4.32Å; L877-Y890 HydrophobicContact CG-CE1 4.48Å; L877-C902 HydrophobicContact CB-CB 3.86Å; L877-C902 PolarHBondContact O-SG 3.36Å |
| 878 | A | 80.1 | Confident | 79.8 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 159.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C874 R875 D876 C883 L885 P894 | C874-A878 HydrophobicContact CB-CB 4.31Å; C874-A878 WeakPolarHBondContact CB-O 3.12Å; R875-A878 WeakPolarHBondContact O-CB 3.45Å; R875-A878 PolarHBondContact O-N 2.76Å; D876-A878 PolarHBondContact O-N 3.36Å; A878-C883 HydrophobicContact CB-CB 4.12Å; A878-L885 CarbonylContact C-O 3.49Å; A878-L885 VanDerWaalsContact CA-O 3.22Å; A878-L885 WeakPolarHBondContact CA-O 3.45Å; A878-P894 HydrophobicContact CB-CB 4Å; A878-P894 HydrophobicContact CB-CG 3.92Å |
| 879 | A | 74.1 | Confident | 79.5 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | -174.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | C883 E884 L885 Q887 | A879-C883 CarbonylContact O-C 3.15Å; A879-C883 VanDerWaalsContact O-C 3.22Å; A879-C883 VanDerWaalsContact O-CA 3.24Å; A879-C883 WeakPolarHBondContact O-CA 3.28Å; A879-E884 PolarHBondContact O-N 2.91Å; A879-L885 PolarHBondContact N-O 2.84Å; A879-L885 PolarHBondContact O-N 2.7Å; A879-Q887 HydrophobicContact CB-CB 4.33Å |
| 880 | G | 75.4 | Confident | 79.8 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 90.7 | 167.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H882 C883 E884 | G880-H882 PolarHBondContact O-N 2.66Å; G880-H882 VanDerWaalsContact O-N 3.14Å; G880-C883 PolarHBondContact O-N 2.87Å; G880-C883 VanDerWaalsContact O-N 3.15Å; G880-E884 VanDerWaalsContact C-OE2 3.32Å |
| 881 | H | 80.8 | Confident | 80 | Confident | 110 Ų | 110 | 63.3 Ų | 63.3 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.1 | -167 | -97 | -90.9 | 0 | 0 | 0 | 113.9 | A870 C871 E884 | A870-H881 WeakPolarHBondContact CA-O 3.29Å; A870-H881 VanDerWaalsContact CB-ND1 3.32Å; A870-H881 WeakPolarHBondContact CB-ND1 3.25Å; C871-H881 PolarHBondContact N-O 3.27Å; C871-H881 PolarHBondContact SG-O 3.5Å; C871-H881 VanDerWaalsContact SG-O 3.38Å; H881-E884 PolarHBondContact N-OE1 3.47Å; H881-E884 VanDerWaalsContact N-OE1 3.14Å; H881-E884 PolarHBondContact N-OE2 2.83Å |
| 882 | H | 84.2 | Confident | 79.9 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 18.1 | -179.9 | -49.1 | 78.8 | 0 | 0 | 0 | 111 | Q856 C857 N858 G880 E884 | Q856-H882 PolarHBondContact O-CD2 3.47Å; Q856-H882 VanDerWaalsContact O-CD2 3.31Å; C857-H882 CarbonylContact C-O 3.58Å; N858-H882 VanDerWaalsContact CB-O 3.26Å; N858-H882 WeakPolarHBondContact CB-O 3.45Å; N858-H882 WeakPolarHBondContact ND2-CB 3.36Å; N858-H882 PolarHBondContact ND2-O 2.68Å; G880-H882 PolarHBondContact O-N 2.66Å; G880-H882 VanDerWaalsContact O-N 3.14Å; H882-E884 VanDerWaalsContact CA-OE2 3.26Å; H882-E884 WeakPolarHBondContact CA-OE2 3.36Å; H882-E884 WeakPolarHBondContact CB-OE2 3.05Å; H882-E884 PolarHBondContact N-OE2 2.56Å |
| 883 | C | 85.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 63.6 | 44.3 | -173 | -44.6 | 0 | 0 | 0 | 0 | 114.7 | H860 C874 A878 A879 G880 | H860-C883 HydrophobicContact CB-CB 3.6Å; C874-C883 VanDerWaalsContact CA-SG 3.51Å; C874-C883 HydrophobicContact CB-CB 3.69Å; C874-C883 WeakPolarHBondContact CB-SG 3.13Å; C874-C883 WeakPolarHBondContact SG-CA 3.38Å; C874-C883 WeakPolarHBondContact SG-CB 3.15Å; C874-C883 CovalentContact SG-SG 2.03Å; C874-C883 PolarHBondContact SG-SG 3.27Å; A878-C883 HydrophobicContact CB-CB 4.12Å; A879-C883 CarbonylContact O-C 3.15Å; A879-C883 VanDerWaalsContact O-C 3.22Å; A879-C883 VanDerWaalsContact O-CA 3.24Å; A879-C883 WeakPolarHBondContact O-CA 3.28Å; G880-C883 PolarHBondContact O-N 2.87Å; G880-C883 VanDerWaalsContact O-N 3.15Å |
| 884 | E | 83 | Confident | 79.9 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | trans | -101.8 | -5.2 | -175.3 | 72.8 | -77 | -173.9 | 0 | 0 | 116.4 | A879 G880 H881 H882 R895 | A879-E884 PolarHBondContact O-N 2.91Å; G880-E884 VanDerWaalsContact C-OE2 3.32Å; H881-E884 PolarHBondContact N-OE1 3.47Å; H881-E884 VanDerWaalsContact N-OE1 3.14Å; H881-E884 PolarHBondContact N-OE2 2.83Å; H882-E884 VanDerWaalsContact CA-OE2 3.26Å; H882-E884 WeakPolarHBondContact CA-OE2 3.36Å; H882-E884 WeakPolarHBondContact CB-OE2 3.05Å; H882-E884 PolarHBondContact N-OE2 2.56Å; E884-R895 HydrophobicContact CB-CG 4.17Å; E884-R895 WeakPolarHBondContact O-CG 3.25Å | ||
| 885 | L | 81.8 | Confident | 80 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 53% | 0.534 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 165.3 | -179.1 | -56.5 | 176.1 | 0 | 0 | 0 | 110.5 | A878 A879 P894 | A878-L885 CarbonylContact C-O 3.49Å; A878-L885 VanDerWaalsContact CA-O 3.22Å; A878-L885 WeakPolarHBondContact CA-O 3.45Å; A879-L885 PolarHBondContact N-O 2.84Å; A879-L885 PolarHBondContact O-N 2.7Å; L885-P894 WeakPolarHBondContact O-CG 3.45Å |
| 886 | C | 82.6 | Confident | 79.6 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 153.7 | 163.4 | -70.6 | 0 | 0 | 0 | 0 | 111.2 | G892 C902 | C886-G892 WeakPolarHBondContact SG-CA 3.34Å; C886-G892 PolarHBondContact SG-N 3.17Å; C886-G892 VanDerWaalsContact SG-N 3.37Å; C886-C902 VanDerWaalsContact CA-SG 3.5Å; C886-C902 HydrophobicContact CB-CB 3.79Å; C886-C902 WeakPolarHBondContact CB-SG 3.21Å; C886-C902 VanDerWaalsContact SG-CA 3.57Å; C886-C902 WeakPolarHBondContact SG-CB 3.01Å; C886-C902 CovalentContact SG-SG 2.04Å; C886-C902 PolarHBondContact SG-SG 3.08Å |
| 887 | Q | 79.5 | Confident | 79.1 | Confident | 96 Ų | 96 | 59.4 Ų | 59.4 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 145.9 | 173.4 | -170.3 | 172.4 | 12.3 | 0 | 0 | 111.9 | L877 A879 G889 Y890 | L877-Q887 PolarHBondContact O-N 3.08Å; A879-Q887 HydrophobicContact CB-CB 4.33Å; Q887-G889 PolarHBondContact O-N 3Å; Q887-Y890 HydrophobicContact CB-CD2 4.39Å; Q887-Y890 WeakPolarHBondContact O-CB 3.35Å; Q887-Y890 PolarHBondContact O-N 3.43Å |
| 888 | D | 73.8 | Confident | 78.6 | Confident | 123 Ų | 123 | 59.6 Ų | 59.6 | 66% | 0.658 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 138.5 | 176.2 | -68.3 | -27.1 | 0 | 0 | 0 | 111.3 | T920 | D888-T920 HydrophobicContact CB-CG2 4.35Å; D888-T920 VanDerWaalsContact OD1-CG2 3.31Å; D888-T920 WeakPolarHBondContact OD1-CG2 3.2Å |
| 889 | G | 72.5 | Confident | 78 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 2.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q887 P904 C905 P911 D919 | Q887-G889 PolarHBondContact O-N 3Å; G889-P904 WeakPolarHBondContact O-CA 3.09Å; G889-C905 WeakPolarHBondContact O-CB 3.46Å; G889-C905 PolarHBondContact O-N 3.43Å; G889-C905 PolarHBondContact O-SG 2.95Å; G889-P911 WeakPolarHBondContact O-CG 3.46Å; G889-D919 PolarHBondContact N-O 2.93Å; G889-D919 VanDerWaalsContact N-O 3.16Å |
| 890 | Y | 82.6 | Confident | 78.1 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.4 | 175 | -61.4 | -107.1 | 0 | 0 | 0 | 113.4 | L877 Q887 R903 P904 | L877-Y890 HydrophobicContact CD1-CD1 3.92Å; L877-Y890 HydrophobicContact CD1-CE1 3.69Å; L877-Y890 HydrophobicContact CD2-CE1 4.11Å; L877-Y890 HydrophobicContact CD2-CE2 4.32Å; L877-Y890 HydrophobicContact CG-CE1 4.48Å; Q887-Y890 HydrophobicContact CB-CD2 4.39Å; Q887-Y890 WeakPolarHBondContact O-CB 3.35Å; Q887-Y890 PolarHBondContact O-N 3.43Å; Y890-R903 CarbonylContact C-O 3.31Å; Y890-R903 WeakPolarHBondContact CA-O 3.37Å; Y890-R903 WeakPolarHBondContact CB-O 3.47Å; Y890-R903 VanDerWaalsContact CD1-C 3.47Å; Y890-P904 HydrophobicContact CD1-CG 4.18Å; Y890-P904 HydrophobicContact CE1-CB 4.39Å; Y890-P904 HydrophobicContact CE1-CG 3.8Å |
| 891 | Y | 83.7 | Confident | 78.2 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.2 | 176.6 | 76 | -85.7 | 0 | 0 | 0 | 112.3 | C902 R903 L923 V930 | Y891-C902 CarbonylContact O-C 3.12Å; Y891-C902 WeakPolarHBondContact O-CA 3.44Å; Y891-R903 HydrophobicContact CD1-CB 4.08Å; Y891-R903 WeakPolarHBondContact CD1-O 3.42Å; Y891-R903 HydrophobicContact CE1-CB 3.6Å; Y891-R903 PolarHBondContact N-O 2.88Å; Y891-R903 PolarHBondContact O-N 3.22Å; Y891-L923 HydrophobicContact CD2-CB 3.92Å; Y891-L923 HydrophobicContact CD2-CD2 4.44Å; Y891-L923 HydrophobicContact CE2-CB 4.48Å; Y891-L923 HydrophobicContact CE2-CD1 4.33Å; Y891-L923 HydrophobicContact CE2-CD2 4.41Å; Y891-V930 HydrophobicContact CD1-CG1 4.27Å; Y891-V930 HydrophobicContact CD1-CG2 4.2Å; Y891-V930 HydrophobicContact CD2-CG2 4.3Å; Y891-V930 HydrophobicContact CE1-CG2 3.97Å; Y891-V930 HydrophobicContact CE2-CG2 4.05Å; Y891-V930 HydrophobicContact CG-CG2 4.37Å |
| 892 | G | 80.8 | Confident | 78.4 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 38% | 0.381 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | -162.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C886 | C886-G892 WeakPolarHBondContact SG-CA 3.34Å; C886-G892 PolarHBondContact SG-N 3.17Å; C886-G892 VanDerWaalsContact SG-N 3.37Å |
| 893 | D | 81.8 | Confident | 78.3 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 99.3 | 175.9 | -172.1 | -22.4 | 0 | 0 | 0 | 111 | R895 V898 N899 I900 | D893-R895 PolarHBondContact O-N 3.16Å; D893-R895 WeakPolarHBondContact OD1-CG 3.47Å; D893-R895 IonicContact OD1-CZ 2.86Å; D893-R895 PolarHBondContact OD1-N 3.06Å; D893-R895 IonicContact OD1-NE 3.5Å; D893-R895 PolarHBondContact OD1-NE 3.36Å; D893-R895 IonicContact OD1-NH2 2.7Å; D893-R895 IonicContact OD2-CZ 3.67Å; D893-R895 IonicContact OD2-NE 3.46Å; D893-R895 PolarHBondContact OD2-NE 3.36Å; D893-R895 IonicContact OD2-NH2 3.62Å; D893-R895 PolarHBondContact OD2-NH2 2.84Å; D893-V898 HydrophobicContact CB-CB 4.31Å; D893-V898 HydrophobicContact CB-CG1 3.93Å; D893-V898 WeakPolarHBondContact OD2-CG1 3.33Å; D893-N899 PolarHBondContact O-N 3.16Å; D893-I900 CarbonylContact C-O 3.37Å; D893-I900 HydrophobicContact CB-CB 4.16Å; D893-I900 PolarHBondContact N-O 2.87Å; D893-I900 PolarHBondContact O-N 3.17Å |
| 894 | P | 74.1 | Confident | 78.1 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 10% | 0.104 | 40% | 0.4 | C | S | . | . | trans | -88.4 | 5.7 | -170.8 | 32.6 | -31.9 | 0 | 0 | 0 | 114.8 | A878 L885 | A878-P894 HydrophobicContact CB-CB 4Å; A878-P894 HydrophobicContact CB-CG 3.92Å; L885-P894 WeakPolarHBondContact O-CG 3.45Å | ||
| 895 | R | 81.9 | Confident | 78 | Confident | 126 Ų | 126 | 71.2 Ų | 71.2 | 48% | 0.475 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -64.9 | 141.1 | -178 | -62.2 | 174.5 | -66.1 | 176.2 | -1.1 | 110.7 | E884 D893 G897 V898 N899 | E884-R895 HydrophobicContact CB-CG 4.17Å; E884-R895 WeakPolarHBondContact O-CG 3.25Å; D893-R895 PolarHBondContact O-N 3.16Å; D893-R895 WeakPolarHBondContact OD1-CG 3.47Å; D893-R895 IonicContact OD1-CZ 2.86Å; D893-R895 PolarHBondContact OD1-N 3.06Å; D893-R895 IonicContact OD1-NE 3.5Å; D893-R895 PolarHBondContact OD1-NE 3.36Å; D893-R895 IonicContact OD1-NH2 2.7Å; D893-R895 IonicContact OD2-CZ 3.67Å; D893-R895 IonicContact OD2-NE 3.46Å; D893-R895 PolarHBondContact OD2-NE 3.36Å; D893-R895 IonicContact OD2-NH2 3.62Å; D893-R895 PolarHBondContact OD2-NH2 2.84Å; R895-G897 PolarHBondContact O-N 3.03Å; R895-V898 PolarHBondContact O-N 2.76Å; R895-N899 PolarHBondContact O-N 3.49Å |
| 896 | I | 73.2 | Confident | 77.9 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 68% | 0.682 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | -24.5 | -178.5 | -64.8 | 176.5 | 0 | 0 | 0 | 114 | N858 | N858-I896 WeakPolarHBondContact O-CD1 3.43Š|
| 897 | G | 68.2 | Low | 77.6 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 80% | 0.804 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -9.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | R895 | R895-G897 PolarHBondContact O-N 3.03Š|
| 898 | V | 71.1 | Confident | 77.1 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -45 | -174.7 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | D893 R895 I900 | D893-V898 HydrophobicContact CB-CB 4.31Å; D893-V898 HydrophobicContact CB-CG1 3.93Å; D893-V898 WeakPolarHBondContact OD2-CG1 3.33Å; R895-V898 PolarHBondContact O-N 2.76Å; V898-I900 HydrophobicContact CG1-CD1 4.01Å; V898-I900 HydrophobicContact CG1-CG1 4.14Å; V898-I900 PolarHBondContact O-N 3.36Å |
| 899 | N | 66.9 | Low | 76.7 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | trans | 55.5 | 49 | 167.7 | -159.6 | 15.1 | 0 | 0 | 0 | 115.4 | D893 R895 | D893-N899 PolarHBondContact O-N 3.16Å; R895-N899 PolarHBondContact O-N 3.49Å | ||
| 900 | I | 76 | Confident | 76.6 | Confident | 90 Ų | 90 | 61 Ų | 61 | 46% | 0.462 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 113.2 | 169.4 | -63.3 | 170.7 | 0 | 0 | 0 | 108.2 | D893 V898 | D893-I900 CarbonylContact C-O 3.37Å; D893-I900 HydrophobicContact CB-CB 4.16Å; D893-I900 PolarHBondContact N-O 2.87Å; D893-I900 PolarHBondContact O-N 3.17Å; V898-I900 HydrophobicContact CG1-CD1 4.01Å; V898-I900 HydrophobicContact CG1-CG1 4.14Å; V898-I900 PolarHBondContact O-N 3.36Å |
| 901 | P | 79.3 | Confident | 75.8 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 137.9 | -174.9 | -23.4 | 33.4 | 0 | 0 | 0 | 113.4 | ||
| 902 | C | 83.6 | Confident | 74.9 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 10% | 0.095 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 129.7 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | L877 C886 Y891 | L877-C902 HydrophobicContact CB-CB 3.86Å; L877-C902 PolarHBondContact O-SG 3.36Å; C886-C902 VanDerWaalsContact CA-SG 3.5Å; C886-C902 HydrophobicContact CB-CB 3.79Å; C886-C902 WeakPolarHBondContact CB-SG 3.21Å; C886-C902 VanDerWaalsContact SG-CA 3.57Å; C886-C902 WeakPolarHBondContact SG-CB 3.01Å; C886-C902 CovalentContact SG-SG 2.04Å; C886-C902 PolarHBondContact SG-SG 3.08Å; Y891-C902 CarbonylContact O-C 3.12Å; Y891-C902 WeakPolarHBondContact O-CA 3.44Å |
| 903 | R | 82.2 | Confident | 74.3 | Confident | 146 Ų | 146 | 62 Ų | 62 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.2 | -177 | -66.5 | 180 | -175.8 | -174.9 | 2.7 | 112.4 | Y890 Y891 | Y890-R903 CarbonylContact C-O 3.31Å; Y890-R903 WeakPolarHBondContact CA-O 3.37Å; Y890-R903 WeakPolarHBondContact CB-O 3.47Å; Y890-R903 VanDerWaalsContact CD1-C 3.47Å; Y891-R903 HydrophobicContact CD1-CB 4.08Å; Y891-R903 WeakPolarHBondContact CD1-O 3.42Å; Y891-R903 HydrophobicContact CE1-CB 3.6Å; Y891-R903 PolarHBondContact N-O 2.88Å; Y891-R903 PolarHBondContact O-N 3.22Å |
| 904 | P | 81.9 | Confident | 73.5 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 146.4 | -174.6 | -21.6 | 32 | 0 | 0 | 0 | 114.9 | G889 Y890 | G889-P904 WeakPolarHBondContact O-CA 3.09Å; Y890-P904 HydrophobicContact CD1-CG 4.18Å; Y890-P904 HydrophobicContact CE1-CB 4.39Å; Y890-P904 HydrophobicContact CE1-CG 3.8Å |
| 905 | C | 81.6 | Confident | 73.5 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.02 | 41% | 0.411 | C | S | . | . | trans | -70.8 | 134.5 | 176.1 | -70 | 0 | 0 | 0 | 0 | 113.3 | G889 C907 C921 | G889-C905 WeakPolarHBondContact O-CB 3.46Å; G889-C905 PolarHBondContact O-N 3.43Å; G889-C905 PolarHBondContact O-SG 2.95Å; C905-C907 PolarHBondContact O-N 2.98Å; C905-C921 WeakPolarHBondContact CA-SG 3.48Å; C905-C921 HydrophobicContact CB-CB 3.75Å; C905-C921 WeakPolarHBondContact CB-SG 3.46Å; C905-C921 WeakPolarHBondContact SG-CB 3.17Å; C905-C921 PolarHBondContact SG-N 2.79Å; C905-C921 VanDerWaalsContact SG-N 3.43Å; C905-C921 CovalentContact SG-SG 2.02Å; C905-C921 PolarHBondContact SG-SG 2.84Å | ||
| 906 | P | 78.3 | Confident | 73.3 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 29% | 0.292 | 40% | 0.395 | S | S | . | . | trans | -86.8 | 24.8 | -179.7 | 36.6 | -36.2 | 0 | 0 | 0 | 114.3 | V930 R942 | P906-V930 VanDerWaalsContact CD-CG1 3.46Å; P906-V930 HydrophobicContact CG-CB 3.85Å; P906-V930 HydrophobicContact CG-CG1 3.89Å; P906-R942 WeakPolarHBondContact O-CD 3.47Å; P906-R942 PolarHBondContact O-NH1 2.81Å | ||
| 907 | C | 77 | Confident | 73.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -70.9 | 135.1 | 166.7 | -34.8 | 0 | 0 | 0 | 0 | 106.9 | C905 G909 G910 Q916 A918 C932 | C905-C907 PolarHBondContact O-N 2.98Å; C907-G909 PolarHBondContact O-N 2.8Å; C907-G910 WeakPolarHBondContact O-CA 3.15Å; C907-G910 PolarHBondContact O-N 3.18Å; C907-Q916 HydrophobicContact CB-CG 4.38Å; C907-A918 HydrophobicContact CB-CB 3.95Å; C907-C932 WeakPolarHBondContact CA-SG 3.36Å; C907-C932 HydrophobicContact CB-CB 3.98Å; C907-C932 WeakPolarHBondContact CB-SG 3.35Å; C907-C932 PolarHBondContact N-SG 2.81Å; C907-C932 WeakPolarHBondContact SG-CB 3.24Å; C907-C932 CovalentContact SG-SG 2.03Å; C907-C932 PolarHBondContact SG-SG 3.06Å |
| 908 | P | 69.5 | Low | 74.3 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 129.7 | -149 | 23.4 | -34.9 | 0 | 0 | 0 | 112.4 | G910 F915 Q916 R942 | P908-G910 PolarHBondContact O-N 2.85Å; P908-F915 VanDerWaalsContact C-CE2 3.48Å; P908-F915 HydrophobicContact CB-CD2 3.98Å; P908-F915 HydrophobicContact CB-CE2 4.12Å; P908-F915 CarbonylContact O-C 3.32Å; P908-F915 WeakPolarHBondContact O-CD2 3.45Å; P908-F915 VanDerWaalsContact O-O 3.13Å; P908-Q916 PolarHBondContact O-N 3.45Å; P908-R942 WeakPolarHBondContact CD-O 3.11Å |
| 909 | G | 64.5 | Low | 74.6 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -34.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | C907 S913 F915 | C907-G909 PolarHBondContact O-N 2.8Å; G909-S913 VanDerWaalsContact C-OG 3.3Å; G909-S913 VanDerWaalsContact CA-CB 3.4Å; G909-S913 WeakPolarHBondContact CA-OG 3.27Å; G909-S913 WeakPolarHBondContact O-CB 3.26Å; G909-F915 VanDerWaalsContact CA-CE2 3.41Å; G909-F915 VanDerWaalsContact N-CE2 3.32Å |
| 910 | G | 69.6 | Low | 75.1 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | trans | 74 | -176.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C907 P908 G912 S913 Q916 | C907-G910 WeakPolarHBondContact O-CA 3.15Å; C907-G910 PolarHBondContact O-N 3.18Å; P908-G910 PolarHBondContact O-N 2.85Å; G910-G912 PolarHBondContact O-N 3.48Å; G910-S913 VanDerWaalsContact O-CB 3.22Å; G910-S913 WeakPolarHBondContact O-CB 3.39Å; G910-S913 PolarHBondContact O-N 3.14Å; G910-S913 VanDerWaalsContact O-N 3.11Å; G910-S913 PolarHBondContact O-OG 3.36Å; G910-Q916 PolarHBondContact O-OE1 2.93Å | ||
| 911 | P | 65.7 | Low | 75.4 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 125.3 | -168.7 | -26.7 | 35.5 | 0 | 0 | 0 | 112.2 | G889 Q916 | G889-P911 WeakPolarHBondContact O-CG 3.46Å; P911-Q916 VanDerWaalsContact CA-OE1 3.24Å; P911-Q916 VanDerWaalsContact CD-OE1 3.3Å |
| 912 | G | 65.4 | Low | 75.4 | Confident | 86 Ų | 86 | 44.7 Ų | 44.7 | 89% | 0.887 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 2.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | G910 | G910-G912 PolarHBondContact O-N 3.48Š|
| 913 | S | 68 | Low | 75 | Confident | 30 Ų | 30 | 47 Ų | 47 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -74.7 | -18.5 | -179.2 | 58.8 | 0 | 0 | 0 | 0 | 116.4 | G909 G910 F915 | G909-S913 VanDerWaalsContact C-OG 3.3Å; G909-S913 VanDerWaalsContact CA-CB 3.4Å; G909-S913 WeakPolarHBondContact CA-OG 3.27Å; G909-S913 WeakPolarHBondContact O-CB 3.26Å; G910-S913 VanDerWaalsContact O-CB 3.22Å; G910-S913 WeakPolarHBondContact O-CB 3.39Å; G910-S913 PolarHBondContact O-N 3.14Å; G910-S913 VanDerWaalsContact O-N 3.11Å; G910-S913 PolarHBondContact O-OG 3.36Å; S913-F915 VanDerWaalsContact C-N 3.33Å; S913-F915 WeakPolarHBondContact O-CD1 3.46Å; S913-F915 WeakPolarHBondContact O-CE1 3.29Å; S913-F915 PolarHBondContact OG-N 2.58Å |
| 914 | G | 66.1 | Low | 74.7 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 81.3 | 2.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 915 | F | 74.5 | Confident | 74 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 21% | 0.211 | 29% | 0.291 | C | S | . | . | trans | -142.7 | 25.9 | 176.4 | 56.7 | -84.6 | 0 | 0 | 0 | 113.5 | P908 G909 S913 H917 V957 | P908-F915 VanDerWaalsContact C-CE2 3.48Å; P908-F915 HydrophobicContact CB-CD2 3.98Å; P908-F915 HydrophobicContact CB-CE2 4.12Å; P908-F915 CarbonylContact O-C 3.32Å; P908-F915 WeakPolarHBondContact O-CD2 3.45Å; P908-F915 VanDerWaalsContact O-O 3.13Å; G909-F915 VanDerWaalsContact CA-CE2 3.41Å; G909-F915 VanDerWaalsContact N-CE2 3.32Å; S913-F915 VanDerWaalsContact C-N 3.33Å; S913-F915 WeakPolarHBondContact O-CD1 3.46Å; S913-F915 WeakPolarHBondContact O-CE1 3.29Å; S913-F915 PolarHBondContact OG-N 2.58Å; F915-H917 PolarHBondContact O-CD2 2.75Å; F915-H917 PolarHBondContact O-NE2 3.01Å; F915-V957 HydrophobicContact CD1-CG2 3.97Å; F915-V957 HydrophobicContact CE1-CG2 4Å | ||
| 916 | Q | 76 | Confident | 73.5 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | trans | -80.7 | 114.6 | 169.4 | 171.1 | 172.7 | -34.8 | 0 | 0 | 110.7 | C907 P908 G910 P911 A918 | C907-Q916 HydrophobicContact CB-CG 4.38Å; P908-Q916 PolarHBondContact O-N 3.45Å; G910-Q916 PolarHBondContact O-OE1 2.93Å; P911-Q916 VanDerWaalsContact CA-OE1 3.24Å; P911-Q916 VanDerWaalsContact CD-OE1 3.3Å; Q916-A918 VanDerWaalsContact CG-O 3.23Å; Q916-A918 WeakPolarHBondContact CG-O 3.11Å; Q916-A918 PolarHBondContact NE2-O 3.09Å | ||
| 917 | H | 83.8 | Confident | 73.1 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.046 | 34% | 0.338 | C | S | . | . | trans | -104.9 | 23.9 | -176.6 | -53.2 | -58.2 | 0 | 0 | 0 | 114.6 | F915 R935 Y938 C943 P954 G959 | F915-H917 PolarHBondContact O-CD2 2.75Å; F915-H917 PolarHBondContact O-NE2 3.01Å; H917-R935 PolarHBondContact O-N 2.93Å; H917-Y938 HydrophobicContact CB-CD1 3.58Å; H917-Y938 HydrophobicContact CB-CD2 4.17Å; H917-Y938 HydrophobicContact CB-CE1 4Å; H917-Y938 HydrophobicContact CB-CG 3.69Å; H917-Y938 AromaticContact CD2-CD1 3.88Å; H917-Y938 AromaticContact CD2-CE1 3.93Å; H917-Y938 AromaticContact CE1-CE1 3.67Å; H917-Y938 AromaticContact CG-CD1 3.46Å; H917-Y938 VanDerWaalsContact CG-CD1 3.46Å; H917-Y938 AromaticContact CG-CE1 3.47Å; H917-Y938 VanDerWaalsContact CG-CE1 3.47Å; H917-Y938 AromaticContact ND1-CD1 3.84Å; H917-Y938 AromaticContact ND1-CE1 3.31Å; H917-Y938 VanDerWaalsContact ND1-CE1 3.31Å; H917-Y938 WeakPolarHBondContact ND1-CE1 3.49Å; H917-Y938 AromaticContact ND1-CZ 3.62Å; H917-C943 HydrophobicContact CB-CB 3.94Å; H917-P954 PolarHBondContact CD2-O 3.05Å; H917-P954 WeakPolarHBondContact NE2-CB 3.28Å; H917-P954 PolarHBondContact NE2-O 2.04Å; H917-G959 PolarHBondContact CE1-O 3.2Å | ||
| 918 | A | 80.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 136.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | C907 Q916 C932 N933 | C907-A918 HydrophobicContact CB-CB 3.95Å; Q916-A918 VanDerWaalsContact CG-O 3.23Å; Q916-A918 WeakPolarHBondContact CG-O 3.11Å; Q916-A918 PolarHBondContact NE2-O 3.09Å; A918-C932 HydrophobicContact CB-CB 3.92Å; A918-N933 VanDerWaalsContact CA-O 3.31Å; A918-N933 WeakPolarHBondContact CA-O 3.26Å; A918-N933 WeakPolarHBondContact CB-O 3.46Å |
| 919 | D | 76.1 | Confident | 73 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 42% | 0.422 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -28.2 | -179.6 | -61.3 | -59.1 | 0 | 0 | 0 | 112.3 | G889 R935 | G889-D919 PolarHBondContact N-O 2.93Å; G889-D919 VanDerWaalsContact N-O 3.16Å; D919-R935 IonicContact OD1-CZ 3.64Å; D919-R935 VanDerWaalsContact OD1-CZ 3.23Å; D919-R935 IonicContact OD1-NE 2.73Å; D919-R935 PolarHBondContact OD1-NE 3.2Å; D919-R935 IonicContact OD1-NH2 2.81Å; D919-R935 PolarHBondContact OD1-NH2 3.37Å; D919-R935 VanDerWaalsContact OD2-CG 3.3Å; D919-R935 WeakPolarHBondContact OD2-CG 3.34Å; D919-R935 IonicContact OD2-NE 2.72Å; D919-R935 PolarHBondContact OD2-NE 3.48Å; D919-R935 VanDerWaalsContact OD2-NE 3.11Å |
| 920 | T | 77.8 | Confident | 73.6 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156.6 | 180 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | D888 N933 | D888-T920 HydrophobicContact CB-CG2 4.35Å; D888-T920 VanDerWaalsContact OD1-CG2 3.31Å; D888-T920 WeakPolarHBondContact OD1-CG2 3.2Å; T920-N933 PolarHBondContact O-N 3.04Å; T920-N933 WeakPolarHBondContact OG1-CB 3.3Å; T920-N933 PolarHBondContact OG1-ND2 3.46Å |
| 921 | C | 82.8 | Confident | 74.1 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 9% | 0.088 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.4 | 166.1 | 71.7 | 0 | 0 | 0 | 0 | 109.9 | C905 V930 I931 | C905-C921 WeakPolarHBondContact CA-SG 3.48Å; C905-C921 HydrophobicContact CB-CB 3.75Å; C905-C921 WeakPolarHBondContact CB-SG 3.46Å; C905-C921 WeakPolarHBondContact SG-CB 3.17Å; C905-C921 PolarHBondContact SG-N 2.79Å; C905-C921 VanDerWaalsContact SG-N 3.43Å; C905-C921 CovalentContact SG-SG 2.02Å; C905-C921 PolarHBondContact SG-SG 2.84Å; C921-V930 HydrophobicContact CB-CG1 3.72Å; C921-V930 WeakPolarHBondContact SG-CG1 3.5Å; C921-I931 CarbonylContact C-O 3.39Å; C921-I931 WeakPolarHBondContact CA-O 3.31Å; C921-I931 WeakPolarHBondContact CB-O 3.42Å |
| 922 | Y | 78.2 | Confident | 75.1 | Confident | 113 Ų | 113 | 62.2 Ų | 62.2 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.7 | 174.8 | 63.4 | -86.7 | 0 | 0 | 0 | 110.7 | D924 V930 I931 | Y922-D924 HydrophobicContact CE2-CB 4.48Å; Y922-V930 WeakPolarHBondContact O-CA 3.33Å; Y922-I931 HydrophobicContact CE1-CB 3.98Å; Y922-I931 HydrophobicContact CE1-CG2 3.97Å; Y922-I931 HydrophobicContact CE2-CB 4.16Å; Y922-I931 HydrophobicContact CE2-CD1 3.95Å; Y922-I931 HydrophobicContact CE2-CG1 4.47Å; Y922-I931 PolarHBondContact N-O 2.82Å; Y922-I931 PolarHBondContact O-N 2.72Å |
| 923 | L | 76.6 | Confident | 75.9 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 115.2 | 171.3 | -178.4 | 68.2 | 0 | 0 | 0 | 108.2 | Y891 H925 E928 V930 | Y891-L923 HydrophobicContact CD2-CB 3.92Å; Y891-L923 HydrophobicContact CD2-CD2 4.44Å; Y891-L923 HydrophobicContact CE2-CB 4.48Å; Y891-L923 HydrophobicContact CE2-CD1 4.33Å; Y891-L923 HydrophobicContact CE2-CD2 4.41Å; L923-H925 PolarHBondContact O-N 3.36Å; L923-E928 WeakPolarHBondContact CD1-O 3.32Å; L923-V930 HydrophobicContact CD1-CG2 3.92Å |
| 924 | D | 74.7 | Confident | 76.6 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 17% | 0.171 | 34% | 0.342 | C | S | . | . | trans | -69.2 | 115.4 | 170.5 | 170.8 | 26.1 | 0 | 0 | 0 | 109.5 | Y922 T926 T927 E928 V929 I931 | Y922-D924 HydrophobicContact CE2-CB 4.48Å; D924-T926 PolarHBondContact O-N 3.48Å; D924-T926 VanDerWaalsContact O-N 3.07Å; D924-T926 VanDerWaalsContact OD1-CB 3.26Å; D924-T926 WeakPolarHBondContact OD1-CB 3.1Å; D924-T926 PolarHBondContact OD1-N 2.91Å; D924-T926 PolarHBondContact OD1-OG1 3.17Å; D924-T927 PolarHBondContact O-N 3.26Å; D924-T927 VanDerWaalsContact OD2-CB 3.3Å; D924-T927 WeakPolarHBondContact OD2-CB 3.35Å; D924-T927 VanDerWaalsContact OD2-CG2 3.24Å; D924-T927 WeakPolarHBondContact OD2-CG2 3.48Å; D924-T927 PolarHBondContact OD2-N 2.8Å; D924-T927 PolarHBondContact OD2-OG1 2.9Å; D924-E928 WeakPolarHBondContact O-CA 3.43Å; D924-E928 PolarHBondContact O-N 3.1Å; D924-V929 PolarHBondContact N-O 2.88Å; D924-I931 HydrophobicContact CB-CD1 4.12Å | ||
| 925 | H | 68 | Low | 77.4 | Confident | 180 Ų | 180 | 65 Ų | 65 | 83% | 0.833 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -12.8 | 176.9 | -57.1 | -55 | 0 | 0 | 0 | 113.8 | L923 | L923-H925 PolarHBondContact O-N 3.36Š|
| 926 | T | 69.5 | Low | 77.7 | Confident | 128 Ų | 128 | 70 Ų | 70 | 79% | 0.785 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -40.8 | -177.5 | -28.8 | 0 | 0 | 0 | 0 | 112.8 | D924 | D924-T926 PolarHBondContact O-N 3.48Å; D924-T926 VanDerWaalsContact O-N 3.07Å; D924-T926 VanDerWaalsContact OD1-CB 3.26Å; D924-T926 WeakPolarHBondContact OD1-CB 3.1Å; D924-T926 PolarHBondContact OD1-N 2.91Å; D924-T926 PolarHBondContact OD1-OG1 3.17Å |
| 927 | T | 70.4 | Confident | 77.7 | Confident | 82 Ų | 82 | 68.6 Ų | 68.6 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -9.8 | -175.4 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | D924 V929 | D924-T927 PolarHBondContact O-N 3.26Å; D924-T927 VanDerWaalsContact OD2-CB 3.3Å; D924-T927 WeakPolarHBondContact OD2-CB 3.35Å; D924-T927 VanDerWaalsContact OD2-CG2 3.24Å; D924-T927 WeakPolarHBondContact OD2-CG2 3.48Å; D924-T927 PolarHBondContact OD2-N 2.8Å; D924-T927 PolarHBondContact OD2-OG1 2.9Å; T927-V929 PolarHBondContact O-N 3.43Å; T927-V929 VanDerWaalsContact O-N 3.15Å; T927-V929 PolarHBondContact OG1-N 2.8Å |
| 928 | E | 71.1 | Confident | 77.8 | Confident | 168 Ų | 168 | 69.7 Ų | 69.7 | 79% | 0.785 | 35% | 0.354 | S | S | * | . | trans | 58 | 14.1 | -169.1 | -56.3 | -171.6 | 161.4 | 0 | 0 | 114.1 | L923 D924 | L923-E928 WeakPolarHBondContact CD1-O 3.32Å; D924-E928 WeakPolarHBondContact O-CA 3.43Å; D924-E928 PolarHBondContact O-N 3.1Å | ||
| 929 | V | 73.9 | Confident | 77.8 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 142 | 175.3 | -178 | 0 | 0 | 0 | 0 | 109.9 | D924 T927 | D924-V929 PolarHBondContact N-O 2.88Å; T927-V929 PolarHBondContact O-N 3.43Å; T927-V929 VanDerWaalsContact O-N 3.15Å; T927-V929 PolarHBondContact OG1-N 2.8Å |
| 930 | V | 76.9 | Confident | 77.8 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.6 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | Y891 P906 C921 Y922 L923 | Y891-V930 HydrophobicContact CD1-CG1 4.27Å; Y891-V930 HydrophobicContact CD1-CG2 4.2Å; Y891-V930 HydrophobicContact CD2-CG2 4.3Å; Y891-V930 HydrophobicContact CE1-CG2 3.97Å; Y891-V930 HydrophobicContact CE2-CG2 4.05Å; Y891-V930 HydrophobicContact CG-CG2 4.37Å; P906-V930 VanDerWaalsContact CD-CG1 3.46Å; P906-V930 HydrophobicContact CG-CB 3.85Å; P906-V930 HydrophobicContact CG-CG1 3.89Å; C921-V930 HydrophobicContact CB-CG1 3.72Å; C921-V930 WeakPolarHBondContact SG-CG1 3.5Å; Y922-V930 WeakPolarHBondContact O-CA 3.33Å; L923-V930 HydrophobicContact CD1-CG2 3.92Å |
| 931 | I | 81.1 | Confident | 77.8 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 20% | 0.2 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 132.2 | -175.7 | -60.3 | 174 | 0 | 0 | 0 | 109.2 | C921 Y922 D924 | C921-I931 CarbonylContact C-O 3.39Å; C921-I931 WeakPolarHBondContact CA-O 3.31Å; C921-I931 WeakPolarHBondContact CB-O 3.42Å; Y922-I931 HydrophobicContact CE1-CB 3.98Å; Y922-I931 HydrophobicContact CE1-CG2 3.97Å; Y922-I931 HydrophobicContact CE2-CB 4.16Å; Y922-I931 HydrophobicContact CE2-CD1 3.95Å; Y922-I931 HydrophobicContact CE2-CG1 4.47Å; Y922-I931 PolarHBondContact N-O 2.82Å; Y922-I931 PolarHBondContact O-N 2.72Å; D924-I931 HydrophobicContact CB-CD1 4.12Å |
| 932 | C | 85.1 | Confident | 77.7 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 5% | 0.054 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.2 | -179 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | C907 A918 C934 E941 | C907-C932 WeakPolarHBondContact CA-SG 3.36Å; C907-C932 HydrophobicContact CB-CB 3.98Å; C907-C932 WeakPolarHBondContact CB-SG 3.35Å; C907-C932 PolarHBondContact N-SG 2.81Å; C907-C932 WeakPolarHBondContact SG-CB 3.24Å; C907-C932 CovalentContact SG-SG 2.03Å; C907-C932 PolarHBondContact SG-SG 3.06Å; A918-C932 HydrophobicContact CB-CB 3.92Å; C932-C934 PolarHBondContact O-N 2.81Å; C932-E941 WeakPolarHBondContact CB-O 3.36Å; C932-E941 PolarHBondContact N-O 2.95Å |
| 933 | N | 82.9 | Confident | 78 | Confident | 76 Ų | 76 | 75 Ų | 75 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 97.8 | 173.7 | -68.1 | -35.7 | 0 | 0 | 0 | 110.1 | A918 T920 | A918-N933 VanDerWaalsContact CA-O 3.31Å; A918-N933 WeakPolarHBondContact CA-O 3.26Å; A918-N933 WeakPolarHBondContact CB-O 3.46Å; T920-N933 PolarHBondContact O-N 3.04Å; T920-N933 WeakPolarHBondContact OG1-CB 3.3Å; T920-N933 PolarHBondContact OG1-ND2 3.46Å |
| 934 | C | 83.4 | Confident | 78.3 | Confident | 47 Ų | 47 | 74 Ų | 74 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 142.3 | -173.1 | -54.8 | 0 | 0 | 0 | 0 | 114.4 | C932 Y938 G940 C943 | C932-C934 PolarHBondContact O-N 2.81Å; C934-Y938 WeakPolarHBondContact CB-O 2.95Å; C934-G940 PolarHBondContact SG-O 3.37Å; C934-C943 WeakPolarHBondContact CA-SG 3.47Å; C934-C943 HydrophobicContact CB-CB 3.7Å; C934-C943 WeakPolarHBondContact CB-SG 3Å; C934-C943 WeakPolarHBondContact SG-CA 3.34Å; C934-C943 WeakPolarHBondContact SG-CB 3.32Å; C934-C943 CovalentContact SG-SG 2.03Å; C934-C943 PolarHBondContact SG-SG 3.25Å |
| 935 | R | 82 | Confident | 78.7 | Confident | 109 Ų | 109 | 78.6 Ų | 78.6 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 150.1 | 167.8 | -69.8 | 178.2 | -180 | 164.7 | 0.4 | 110.4 | H917 D919 G937 Y938 | H917-R935 PolarHBondContact O-N 2.93Å; D919-R935 IonicContact OD1-CZ 3.64Å; D919-R935 VanDerWaalsContact OD1-CZ 3.23Å; D919-R935 IonicContact OD1-NE 2.73Å; D919-R935 PolarHBondContact OD1-NE 3.2Å; D919-R935 IonicContact OD1-NH2 2.81Å; D919-R935 PolarHBondContact OD1-NH2 3.37Å; D919-R935 VanDerWaalsContact OD2-CG 3.3Å; D919-R935 WeakPolarHBondContact OD2-CG 3.34Å; D919-R935 IonicContact OD2-NE 2.72Å; D919-R935 PolarHBondContact OD2-NE 3.48Å; D919-R935 VanDerWaalsContact OD2-NE 3.11Å; R935-G937 PolarHBondContact O-N 3.42Å; R935-Y938 HydrophobicContact CB-CD2 3.86Å; R935-Y938 HydrophobicContact CB-CE2 4.28Å; R935-Y938 WeakPolarHBondContact O-CD2 3.13Å; R935-Y938 PolarHBondContact O-N 3.21Å |
| 936 | H | 80.6 | Confident | 79.5 | Confident | 154 Ų | 154 | 70.6 Ų | 70.6 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 124.3 | 174.1 | -168.8 | 74 | 0 | 0 | 0 | 110.1 | Y950 | H936-Y950 PolarHBondContact NE2-OH 3.32Š|
| 937 | G | 77.2 | Confident | 80 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 115.5 | -20.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R935 C946 M947 C961 | R935-G937 PolarHBondContact O-N 3.42Å; G937-C946 WeakPolarHBondContact O-CA 3.17Å; G937-M947 PolarHBondContact N-SD 2.77Å; G937-M947 PolarHBondContact O-N 2.99Å; G937-C961 VanDerWaalsContact O-CB 3.28Å; G937-C961 WeakPolarHBondContact O-CB 3.4Å |
| 938 | Y | 85.9 | Confident | 80.3 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 146.7 | -171.5 | -52 | -96.7 | 0 | 0 | 0 | 112.4 | H917 C934 R935 R945 P954 S960 C961 | H917-Y938 HydrophobicContact CB-CD1 3.58Å; H917-Y938 HydrophobicContact CB-CD2 4.17Å; H917-Y938 HydrophobicContact CB-CE1 4Å; H917-Y938 HydrophobicContact CB-CG 3.69Å; H917-Y938 AromaticContact CD2-CD1 3.88Å; H917-Y938 AromaticContact CD2-CE1 3.93Å; H917-Y938 AromaticContact CE1-CE1 3.67Å; H917-Y938 AromaticContact CG-CD1 3.46Å; H917-Y938 VanDerWaalsContact CG-CD1 3.46Å; H917-Y938 AromaticContact CG-CE1 3.47Å; H917-Y938 VanDerWaalsContact CG-CE1 3.47Å; H917-Y938 AromaticContact ND1-CD1 3.84Å; H917-Y938 AromaticContact ND1-CE1 3.31Å; H917-Y938 VanDerWaalsContact ND1-CE1 3.31Å; H917-Y938 WeakPolarHBondContact ND1-CE1 3.49Å; H917-Y938 AromaticContact ND1-CZ 3.62Å; C934-Y938 WeakPolarHBondContact CB-O 2.95Å; R935-Y938 HydrophobicContact CB-CD2 3.86Å; R935-Y938 HydrophobicContact CB-CE2 4.28Å; R935-Y938 WeakPolarHBondContact O-CD2 3.13Å; R935-Y938 PolarHBondContact O-N 3.21Å; Y938-R945 CarbonylContact C-O 3.57Å; Y938-R945 VanDerWaalsContact CA-O 3.31Å; Y938-R945 WeakPolarHBondContact CA-O 3.33Å; Y938-P954 HydrophobicContact CD1-CB 3.87Å; Y938-P954 HydrophobicContact CE1-CB 3.95Å; Y938-S960 WeakPolarHBondContact OH-CA 3.47Å; Y938-C961 HydrophobicContact CD1-CB 3.98Å; Y938-C961 VanDerWaalsContact CD1-SG 3.52Å; Y938-C961 HydrophobicContact CE1-CB 3.66Å; Y938-C961 WeakPolarHBondContact CE1-SG 3.42Å; Y938-C961 HydrophobicContact CE2-CB 4.43Å; Y938-C961 HydrophobicContact CG-CB 4.5Å; Y938-C961 PolarHBondContact OH-N 3.4Å; Y938-C961 VanDerWaalsContact OH-N 3.08Å |
| 939 | E | 80.7 | Confident | 80.5 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 165.1 | -177.7 | 68.8 | 164.4 | -130.7 | 0 | 0 | 114.1 | C943 D944 R945 M947 | E939-C943 CarbonylContact O-C 3.42Å; E939-C943 VanDerWaalsContact O-CA 3.28Å; E939-C943 WeakPolarHBondContact O-CA 3.39Å; E939-D944 PolarHBondContact O-N 2.82Å; E939-D944 VanDerWaalsContact O-N 3.16Å; E939-R945 HydrophobicContact CG-CB 3.74Å; E939-R945 PolarHBondContact N-O 3.5Å; E939-R945 PolarHBondContact O-N 2.85Å; E939-R945 IonicContact OE1-CZ 3.69Å; E939-R945 IonicContact OE1-NH1 2.71Å; E939-R945 PolarHBondContact OE1-NH1 3.22Å; E939-R945 VanDerWaalsContact OE1-NH1 3.09Å; E939-M947 HydrophobicContact CB-CG 4.2Å |
| 940 | G | 75.5 | Confident | 81 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.4 | 162.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | C934 R942 C943 | C934-G940 PolarHBondContact SG-O 3.37Å; G940-R942 PolarHBondContact O-N 3.33Å; G940-C943 PolarHBondContact O-N 2.63Å |
| 941 | E | 76.6 | Confident | 81.4 | Confident | 129 Ų | 129 | 61.6 Ų | 61.6 | 60% | 0.603 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -25.3 | -178.5 | -65.5 | -63.2 | 143.5 | 0 | 0 | 115 | C932 | C932-E941 WeakPolarHBondContact CB-O 3.36Å; C932-E941 PolarHBondContact N-O 2.95Å |
| 942 | R | 81 | Confident | 81.4 | Confident | 141 Ų | 141 | 60.8 Ų | 60.8 | 53% | 0.532 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 6.6 | 177.4 | -61.7 | -174 | 177.6 | -157.2 | 3.4 | 113.3 | P906 P908 G940 D944 | P906-R942 WeakPolarHBondContact O-CD 3.47Å; P906-R942 PolarHBondContact O-NH1 2.81Å; P908-R942 WeakPolarHBondContact CD-O 3.11Å; G940-R942 PolarHBondContact O-N 3.33Å; R942-D944 VanDerWaalsContact C-N 3.35Å |
| 943 | C | 85.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 41.6 | -178.4 | -37.7 | 0 | 0 | 0 | 0 | 112.3 | H917 C934 E939 G940 | H917-C943 HydrophobicContact CB-CB 3.94Å; C934-C943 WeakPolarHBondContact CA-SG 3.47Å; C934-C943 HydrophobicContact CB-CB 3.7Å; C934-C943 WeakPolarHBondContact CB-SG 3Å; C934-C943 WeakPolarHBondContact SG-CA 3.34Å; C934-C943 WeakPolarHBondContact SG-CB 3.32Å; C934-C943 CovalentContact SG-SG 2.03Å; C934-C943 PolarHBondContact SG-SG 3.25Å; E939-C943 CarbonylContact O-C 3.42Å; E939-C943 VanDerWaalsContact O-CA 3.28Å; E939-C943 WeakPolarHBondContact O-CA 3.39Å; G940-C943 PolarHBondContact O-N 2.63Å |
| 944 | D | 81.6 | Confident | 80.9 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | trans | -99.8 | 10.5 | -170.1 | 82.9 | -49.9 | 0 | 0 | 0 | 113.4 | E939 R942 K955 | E939-D944 PolarHBondContact O-N 2.82Å; E939-D944 VanDerWaalsContact O-N 3.16Å; R942-D944 VanDerWaalsContact C-N 3.35Å; D944-K955 WeakPolarHBondContact O-CE 3.35Å; D944-K955 WeakPolarHBondContact OD2-CE 3.49Å; D944-K955 IonicContact OD2-NZ 2.96Å; D944-K955 PolarHBondContact OD2-NZ 3.06Å | ||
| 945 | R | 82.7 | Confident | 80.5 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 155.8 | -178.5 | -77.1 | 175 | -82.2 | 153.9 | -13.7 | 110.3 | Y938 E939 | Y938-R945 CarbonylContact C-O 3.57Å; Y938-R945 VanDerWaalsContact CA-O 3.31Å; Y938-R945 WeakPolarHBondContact CA-O 3.33Å; E939-R945 HydrophobicContact CG-CB 3.74Å; E939-R945 PolarHBondContact N-O 3.5Å; E939-R945 PolarHBondContact O-N 2.85Å; E939-R945 IonicContact OE1-CZ 3.69Å; E939-R945 IonicContact OE1-NH1 2.71Å; E939-R945 PolarHBondContact OE1-NH1 3.22Å; E939-R945 VanDerWaalsContact OE1-NH1 3.09Å |
| 946 | C | 84.8 | Confident | 80 | Confident | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.081 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 143.7 | 170.4 | -57 | 0 | 0 | 0 | 0 | 111 | G937 C961 | G937-C946 WeakPolarHBondContact O-CA 3.17Å; C946-C961 WeakPolarHBondContact CA-SG 3.33Å; C946-C961 HydrophobicContact CB-CB 3.68Å; C946-C961 WeakPolarHBondContact CB-SG 3.37Å; C946-C961 WeakPolarHBondContact SG-CB 3.42Å; C946-C961 CovalentContact SG-SG 2.04Å; C946-C961 PolarHBondContact SG-SG 3.43Å |
| 947 | M | 81.9 | Confident | 79.3 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 20% | 0.202 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -60 | 160.3 | 171.4 | -74.4 | -179.4 | -11.6 | 0 | 0 | 111.5 | G937 E939 N949 Y950 | G937-M947 PolarHBondContact N-SD 2.77Å; G937-M947 PolarHBondContact O-N 2.99Å; E939-M947 HydrophobicContact CB-CG 4.2Å; M947-N949 PolarHBondContact O-N 3.18Å; M947-Y950 HydrophobicContact CB-CD2 4.13Å; M947-Y950 HydrophobicContact CE-CD2 3.97Å; M947-Y950 HydrophobicContact CE-CE2 3.64Å; M947-Y950 WeakPolarHBondContact O-CB 3.49Å; M947-Y950 PolarHBondContact O-N 3.26Å |
| 948 | M | 75.5 | Confident | 78.7 | Confident | 109 Ų | 109 | 65.8 Ų | 65.8 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 133.1 | 173.7 | -60.2 | 178.2 | 63.2 | 0 | 0 | 111.9 | Y950 P975 | M948-Y950 PolarHBondContact O-N 2.89Å; M948-P975 HydrophobicContact CE-CB 3.41Å; M948-P975 VanDerWaalsContact CE-CB 3.41Å; M948-P975 HydrophobicContact CE-CG 3.69Å |
| 949 | N | 74.8 | Confident | 77.9 | Confident | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.059 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 17.3 | -175.1 | -57.9 | -33.2 | 0 | 0 | 0 | 115.6 | M947 C964 F972 V974 S977 | M947-N949 PolarHBondContact O-N 3.18Å; N949-C964 PolarHBondContact O-N 2.92Å; N949-C964 PolarHBondContact O-SG 3.35Å; N949-F972 HydrophobicContact CB-CD1 4.29Å; N949-F972 PolarHBondContact ND2-O 2.73Å; N949-V974 PolarHBondContact ND2-O 3.25Å; N949-S977 PolarHBondContact OD1-N 2.7Å |
| 950 | Y | 85.9 | Confident | 77.6 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 152.3 | 161.7 | -72.3 | -114.9 | 0 | 0 | 0 | 109.8 | H936 M947 M948 E962 R963 H980 | H936-Y950 PolarHBondContact NE2-OH 3.32Å; M947-Y950 HydrophobicContact CB-CD2 4.13Å; M947-Y950 HydrophobicContact CE-CD2 3.97Å; M947-Y950 HydrophobicContact CE-CE2 3.64Å; M947-Y950 WeakPolarHBondContact O-CB 3.49Å; M947-Y950 PolarHBondContact O-N 3.26Å; M948-Y950 PolarHBondContact O-N 2.89Å; Y950-E962 CarbonylContact C-O 3.53Å; Y950-E962 WeakPolarHBondContact CA-O 3.19Å; Y950-E962 WeakPolarHBondContact CB-O 3.37Å; Y950-E962 VanDerWaalsContact CD1-C 3.47Å; Y950-R963 HydrophobicContact CD1-CB 4.16Å; Y950-R963 HydrophobicContact CE1-CB 3.8Å; Y950-R963 HydrophobicContact CE2-CB 4.5Å; Y950-H980 WeakPolarHBondContact O-CA 3.44Å |
| 951 | W | 84.6 | Confident | 78.1 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.8 | -178.5 | 78.8 | -73.8 | 0 | 0 | 0 | 112.9 | C961 E962 D979 H980 G983 | W951-C961 CarbonylContact O-C 3.48Å; W951-C961 WeakPolarHBondContact O-CA 3.49Å; W951-E962 VanDerWaalsContact CD1-O 3.3Å; W951-E962 PolarHBondContact N-O 3.45Å; W951-E962 PolarHBondContact O-N 2.83Å; W951-D979 WeakPolarHBondContact CB-O 3.21Å; W951-H980 VanDerWaalsContact CA-O 3.3Å; W951-H980 WeakPolarHBondContact CA-O 3.42Å; W951-G983 VanDerWaalsContact CD2-CA 3.42Å |
| 952 | G | 81.4 | Confident | 78.4 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 22% | 0.216 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.8 | -165.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | S960 H980 | G952-S960 WeakPolarHBondContact CA-O 3.45Å; G952-H980 PolarHBondContact N-O 2.8Å; G952-H980 VanDerWaalsContact N-O 3.13Å |
| 953 | N | 79.5 | Confident | 78.5 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | trans | -134.5 | 86 | -178.7 | -169.5 | 3.4 | 0 | 0 | 0 | 112.6 | K955 E956 G959 S960 | N953-K955 PolarHBondContact O-N 3.07Å; N953-K955 PolarHBondContact OD1-N 3.19Å; N953-E956 PolarHBondContact ND2-OE1 2.89Å; N953-E956 PolarHBondContact ND2-OE2 3.33Å; N953-E956 PolarHBondContact O-N 3.24Å; N953-G959 WeakPolarHBondContact O-CA 3.45Å; N953-S960 PolarHBondContact N-O 3.3Å | ||
| 954 | P | 77.3 | Confident | 78.2 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 2 | -175.8 | 28.1 | -35.3 | 0 | 0 | 0 | 114.8 | H917 Y938 | H917-P954 PolarHBondContact CD2-O 3.05Å; H917-P954 WeakPolarHBondContact NE2-CB 3.28Å; H917-P954 PolarHBondContact NE2-O 2.04Å; Y938-P954 HydrophobicContact CD1-CB 3.87Å; Y938-P954 HydrophobicContact CE1-CB 3.95Å |
| 955 | K | 75.2 | Confident | 78.2 | Confident | 122 Ų | 122 | 65.5 Ų | 65.5 | 53% | 0.53 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -8.2 | 179.6 | -58 | -168.4 | -178.5 | -160.4 | 0 | 113.9 | D944 N953 | D944-K955 WeakPolarHBondContact O-CE 3.35Å; D944-K955 WeakPolarHBondContact OD2-CE 3.49Å; D944-K955 IonicContact OD2-NZ 2.96Å; D944-K955 PolarHBondContact OD2-NZ 3.06Å; N953-K955 PolarHBondContact O-N 3.07Å; N953-K955 PolarHBondContact OD1-N 3.19Å |
| 956 | E | 71.8 | Confident | 78.2 | Confident | 119 Ų | 119 | 59.4 Ų | 59.4 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -98.4 | 150.4 | 177.7 | -79 | 166.7 | -178.6 | 0 | 0 | 111.1 | N953 G958 G959 | N953-E956 PolarHBondContact ND2-OE1 2.89Å; N953-E956 PolarHBondContact ND2-OE2 3.33Å; N953-E956 PolarHBondContact O-N 3.24Å; E956-G958 PolarHBondContact O-N 3.39Å; E956-G958 VanDerWaalsContact O-N 3.16Å; E956-G959 PolarHBondContact O-N 2.83Å |
| 957 | V | 66.6 | Low | 78 | Confident | 124 Ų | 124 | 60.8 Ų | 60.8 | 75% | 0.752 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 115.1 | 179.3 | -179 | 0 | 0 | 0 | 0 | 108.8 | F915 | F915-V957 HydrophobicContact CD1-CG2 3.97Å; F915-V957 HydrophobicContact CE1-CG2 4Å |
| 958 | G | 64.7 | Low | 77.8 | Confident | 68 Ų | 68 | 61 Ų | 61 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 1.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E956 | E956-G958 PolarHBondContact O-N 3.39Å; E956-G958 VanDerWaalsContact O-N 3.16Å |
| 959 | G | 67.8 | Low | 78.2 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | trans | -75.9 | 123.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H917 N953 E956 | H917-G959 PolarHBondContact CE1-O 3.2Å; N953-G959 WeakPolarHBondContact O-CA 3.45Å; E956-G959 PolarHBondContact O-N 2.83Å | ||
| 960 | S | 75.8 | Confident | 78.5 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -102.9 | 170.8 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | Y938 G952 N953 | Y938-S960 WeakPolarHBondContact OH-CA 3.47Å; G952-S960 WeakPolarHBondContact CA-O 3.45Å; N953-S960 PolarHBondContact N-O 3.3Å | ||
| 961 | C | 84.9 | Confident | 78 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 112.2 | 164.6 | -69.6 | 0 | 0 | 0 | 0 | 109.5 | G937 Y938 C946 W951 | G937-C961 VanDerWaalsContact O-CB 3.28Å; G937-C961 WeakPolarHBondContact O-CB 3.4Å; Y938-C961 HydrophobicContact CD1-CB 3.98Å; Y938-C961 VanDerWaalsContact CD1-SG 3.52Å; Y938-C961 HydrophobicContact CE1-CB 3.66Å; Y938-C961 WeakPolarHBondContact CE1-SG 3.42Å; Y938-C961 HydrophobicContact CE2-CB 4.43Å; Y938-C961 HydrophobicContact CG-CB 4.5Å; Y938-C961 PolarHBondContact OH-N 3.4Å; Y938-C961 VanDerWaalsContact OH-N 3.08Å; C946-C961 WeakPolarHBondContact CA-SG 3.33Å; C946-C961 HydrophobicContact CB-CB 3.68Å; C946-C961 WeakPolarHBondContact CB-SG 3.37Å; C946-C961 WeakPolarHBondContact SG-CB 3.42Å; C946-C961 CovalentContact SG-SG 2.04Å; C946-C961 PolarHBondContact SG-SG 3.43Å; W951-C961 CarbonylContact O-C 3.48Å; W951-C961 WeakPolarHBondContact O-CA 3.49Å |
| 962 | E | 82.1 | Confident | 77.4 | Confident | 108 Ų | 108 | 56.2 Ų | 56.2 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 148.7 | -177.3 | -62.3 | -168.5 | 170.6 | 0 | 0 | 111.6 | Y950 W951 | Y950-E962 CarbonylContact C-O 3.53Å; Y950-E962 WeakPolarHBondContact CA-O 3.19Å; Y950-E962 WeakPolarHBondContact CB-O 3.37Å; Y950-E962 VanDerWaalsContact CD1-C 3.47Å; W951-E962 VanDerWaalsContact CD1-O 3.3Å; W951-E962 PolarHBondContact N-O 3.45Å; W951-E962 PolarHBondContact O-N 2.83Å |
| 963 | R | 83.5 | Confident | 77 | Confident | 139 Ų | 139 | 63.8 Ų | 63.8 | 53% | 0.525 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 134.7 | 174.6 | -177.1 | 177.4 | 178.1 | 174.1 | 1.2 | 108.8 | Y950 D965 F972 | Y950-R963 HydrophobicContact CD1-CB 4.16Å; Y950-R963 HydrophobicContact CE1-CB 3.8Å; Y950-R963 HydrophobicContact CE2-CB 4.5Å; R963-D965 PolarHBondContact O-N 3.5Å; R963-F972 HydrophobicContact CG-CD1 4.45Å; R963-F972 HydrophobicContact CG-CE1 3.74Å; R963-F972 HydrophobicContact CG-CZ 4.37Å; R963-F972 VanDerWaalsContact NH2-CE2 3.28Å; R963-F972 VanDerWaalsContact NH2-CG 3.31Å |
| 964 | C | 79.1 | Confident | 76.5 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 132.5 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | N949 F972 C978 | N949-C964 PolarHBondContact O-N 2.92Å; N949-C964 PolarHBondContact O-SG 3.35Å; C964-F972 WeakPolarHBondContact O-CE1 3.43Å; C964-F972 WeakPolarHBondContact O-CZ 3.33Å; C964-C978 HydrophobicContact CB-CB 3.44Å; C964-C978 VanDerWaalsContact CB-CB 3.44Å; C964-C978 WeakPolarHBondContact CB-SG 3.16Å; C964-C978 WeakPolarHBondContact SG-CB 3.4Å; C964-C978 CovalentContact SG-SG 2.01Å; C964-C978 PolarHBondContact SG-SG 3.47Å |
| 965 | D | 82.2 | Confident | 76.1 | Confident | 98 Ų | 98 | 66.2 Ų | 66.2 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | trans | -101.6 | 113.4 | 174.4 | -177.6 | 14.4 | 0 | 0 | 0 | 110.7 | R963 N967 Q996 | R963-D965 PolarHBondContact O-N 3.5Å; D965-N967 PolarHBondContact OD1-N 2.63Å; D965-Q996 WeakPolarHBondContact O-CG 3.26Å; D965-Q996 PolarHBondContact O-NE2 2.79Å | ||
| 966 | C | 83.5 | Confident | 76 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | trans | -127.5 | 34.5 | -176.2 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | G968 N969 I970 C985 Q996 | C966-G968 PolarHBondContact O-N 3.49Å; C966-N969 WeakPolarHBondContact O-CB 3.08Å; C966-N969 PolarHBondContact O-N 2.92Å; C966-I970 HydrophobicContact CB-CB 4.26Å; C966-I970 HydrophobicContact CB-CD1 4.23Å; C966-I970 HydrophobicContact CB-CG1 3.85Å; C966-I970 HydrophobicContact CB-CG2 3.59Å; C966-I970 VanDerWaalsContact SG-CD1 3.54Å; C966-C985 WeakPolarHBondContact CA-SG 3.43Å; C966-C985 HydrophobicContact CB-CB 3.84Å; C966-C985 WeakPolarHBondContact CB-SG 3.48Å; C966-C985 WeakPolarHBondContact SG-CB 3.42Å; C966-C985 CovalentContact SG-SG 2.01Å; C966-C985 PolarHBondContact SG-SG 3.37Å; C966-Q996 CarbonylContact C-O 3.58Å; C966-Q996 VanDerWaalsContact CA-O 3.24Å; C966-Q996 WeakPolarHBondContact CA-O 3.19Å | ||
| 967 | N | 80.2 | Confident | 76.4 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 25.7 | 179.5 | -64.5 | -82.7 | 0 | 0 | 0 | 114.8 | D965 N969 Q996 | D965-N967 PolarHBondContact OD1-N 2.63Å; N967-N969 PolarHBondContact O-N 2.96Å; N967-Q996 WeakPolarHBondContact ND2-CB 3.07Å; N967-Q996 PolarHBondContact ND2-O 3.34Å |
| 968 | G | 77 | Confident | 77 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 46% | 0.464 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 7.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C966 | C966-G968 PolarHBondContact O-N 3.49Š|
| 969 | N | 83.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -101.6 | 28.7 | -175.3 | -65.6 | -29.2 | 0 | 0 | 0 | 113.3 | C966 N967 C988 I989 Y990 C997 A1008 Q1011 | C966-N969 WeakPolarHBondContact O-CB 3.08Å; C966-N969 PolarHBondContact O-N 2.92Å; N967-N969 PolarHBondContact O-N 2.96Å; N969-C988 CarbonylContact O-C 3Å; N969-C988 WeakPolarHBondContact O-CA 3.32Å; N969-I989 VanDerWaalsContact C-CG1 3.44Å; N969-I989 WeakPolarHBondContact O-CG1 3.33Å; N969-I989 PolarHBondContact O-N 3.45Å; N969-Y990 WeakPolarHBondContact OD1-CD2 3.13Å; N969-C997 HydrophobicContact CB-CB 3.54Å; N969-C997 PolarHBondContact ND2-O 2.99Å; N969-A1008 PolarHBondContact ND2-O 3.47Å; N969-Q1011 WeakPolarHBondContact OD1-CG 3.39Å | ||
| 970 | I | 81.3 | Confident | 78.2 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -130.7 | 156.7 | 165.1 | 66.1 | 162.7 | 0 | 0 | 0 | 110.8 | C966 F972 C985 | C966-I970 HydrophobicContact CB-CB 4.26Å; C966-I970 HydrophobicContact CB-CD1 4.23Å; C966-I970 HydrophobicContact CB-CG1 3.85Å; C966-I970 HydrophobicContact CB-CG2 3.59Å; C966-I970 VanDerWaalsContact SG-CD1 3.54Å; I970-F972 HydrophobicContact CD1-CD1 4.13Å; I970-F972 HydrophobicContact CD1-CE1 3.88Å; I970-F972 HydrophobicContact CD1-CE2 4.43Å; I970-F972 HydrophobicContact CD1-CG 4.5Å; I970-F972 HydrophobicContact CD1-CZ 4.06Å; I970-F972 HydrophobicContact CG1-CD2 4.32Å; I970-F972 HydrophobicContact CG1-CE1 4.43Å; I970-F972 HydrophobicContact CG1-CE2 4.09Å; I970-F972 HydrophobicContact CG1-CZ 4.14Å; I970-C985 HydrophobicContact CG2-CB 4.12Å |
| 971 | D | 75.9 | Confident | 78.1 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | trans | -88.2 | 117.6 | 165.5 | -171.5 | -17.3 | 0 | 0 | 0 | 110 | E973 V974 S977 | D971-E973 WeakPolarHBondContact OD1-CB 3.42Å; D971-E973 PolarHBondContact OD1-N 3.04Å; D971-V974 HydrophobicContact CB-CB 4.19Å; D971-V974 HydrophobicContact CB-CG2 3.86Å; D971-V974 PolarHBondContact O-N 2.03Å; D971-V974 WeakPolarHBondContact OD2-CG2 3.49Å; D971-S977 VanDerWaalsContact O-CB 3.26Å; D971-S977 WeakPolarHBondContact O-CB 3.42Å; D971-S977 PolarHBondContact O-OG 3.35Å | ||
| 972 | F | 72 | Confident | 77.8 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 30% | 0.303 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -77.2 | -16.2 | 178.5 | -74.9 | -83.2 | 0 | 0 | 0 | 113.8 | N949 R963 C964 I970 | N949-F972 HydrophobicContact CB-CD1 4.29Å; N949-F972 PolarHBondContact ND2-O 2.73Å; R963-F972 HydrophobicContact CG-CD1 4.45Å; R963-F972 HydrophobicContact CG-CE1 3.74Å; R963-F972 HydrophobicContact CG-CZ 4.37Å; R963-F972 VanDerWaalsContact NH2-CE2 3.28Å; R963-F972 VanDerWaalsContact NH2-CG 3.31Å; C964-F972 WeakPolarHBondContact O-CE1 3.43Å; C964-F972 WeakPolarHBondContact O-CZ 3.33Å; I970-F972 HydrophobicContact CD1-CD1 4.13Å; I970-F972 HydrophobicContact CD1-CE1 3.88Å; I970-F972 HydrophobicContact CD1-CE2 4.43Å; I970-F972 HydrophobicContact CD1-CG 4.5Å; I970-F972 HydrophobicContact CD1-CZ 4.06Å; I970-F972 HydrophobicContact CG1-CD2 4.32Å; I970-F972 HydrophobicContact CG1-CE1 4.43Å; I970-F972 HydrophobicContact CG1-CE2 4.09Å; I970-F972 HydrophobicContact CG1-CZ 4.14Å |
| 973 | E | 72.1 | Confident | 77.6 | Confident | 179 Ų | 179 | 58.1 Ų | 58.1 | 84% | 0.836 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -80.5 | -20.6 | 173.7 | -58.9 | -164.5 | 164.1 | 0 | 0 | 111.8 | D971 P975 | D971-E973 WeakPolarHBondContact OD1-CB 3.42Å; D971-E973 PolarHBondContact OD1-N 3.04Å; E973-P975 WeakPolarHBondContact O-CD 3.15Å |
| 974 | V | 69 | Low | 77.5 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -78.1 | 126.9 | 179 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | N949 D971 S977 K987 | N949-V974 PolarHBondContact ND2-O 3.25Å; D971-V974 HydrophobicContact CB-CB 4.19Å; D971-V974 HydrophobicContact CB-CG2 3.86Å; D971-V974 PolarHBondContact O-N 2.03Å; D971-V974 WeakPolarHBondContact OD2-CG2 3.49Å; V974-S977 WeakPolarHBondContact CB-OG 3.43Å; V974-S977 PolarHBondContact O-OG 3.34Å; V974-S977 VanDerWaalsContact O-OG 3.06Å; V974-K987 HydrophobicContact CG1-CD 3.76Å |
| 975 | P | 69.5 | Low | 77.7 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 135.6 | 173.3 | -30.9 | 38.7 | 0 | 0 | 0 | 113.7 | M948 E973 S977 K987 | M948-P975 HydrophobicContact CE-CB 3.41Å; M948-P975 VanDerWaalsContact CE-CB 3.41Å; M948-P975 HydrophobicContact CE-CG 3.69Å; E973-P975 WeakPolarHBondContact O-CD 3.15Å; P975-S977 VanDerWaalsContact C-N 3.34Å; P975-S977 PolarHBondContact O-N 3.5Å; P975-K987 PolarHBondContact O-NZ 3.02Å |
| 976 | N | 73 | Confident | 77.7 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 43.5 | 177.9 | -50.6 | -36.1 | 0 | 0 | 0 | 112.8 | K987 | N976-K987 WeakPolarHBondContact O-CE 3.04Š|
| 977 | S | 79.4 | Confident | 77.5 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -74.4 | -18.2 | 167.6 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | N949 D971 V974 P975 L986 K987 | N949-S977 PolarHBondContact OD1-N 2.7Å; D971-S977 VanDerWaalsContact O-CB 3.26Å; D971-S977 WeakPolarHBondContact O-CB 3.42Å; D971-S977 PolarHBondContact O-OG 3.35Å; V974-S977 WeakPolarHBondContact CB-OG 3.43Å; V974-S977 PolarHBondContact O-OG 3.34Å; V974-S977 VanDerWaalsContact O-OG 3.06Å; P975-S977 VanDerWaalsContact C-N 3.34Å; P975-S977 PolarHBondContact O-N 3.5Å; S977-L986 PolarHBondContact O-N 3.49Å; S977-K987 PolarHBondContact O-N 3.06Å |
| 978 | C | 81.1 | Confident | 77.8 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -137.5 | 152.4 | 173.4 | 173 | 0 | 0 | 0 | 0 | 110.8 | C964 H980 G983 R984 | C964-C978 HydrophobicContact CB-CB 3.44Å; C964-C978 VanDerWaalsContact CB-CB 3.44Å; C964-C978 WeakPolarHBondContact CB-SG 3.16Å; C964-C978 WeakPolarHBondContact SG-CB 3.4Å; C964-C978 CovalentContact SG-SG 2.01Å; C964-C978 PolarHBondContact SG-SG 3.47Å; C978-H980 PolarHBondContact O-N 2.85Å; C978-G983 PolarHBondContact SG-O 2.77Å; C978-G983 VanDerWaalsContact SG-O 3.37Å; C978-R984 CarbonylContact C-O 3.5Å; C978-R984 VanDerWaalsContact CA-O 3.32Å; C978-R984 WeakPolarHBondContact CA-O 3.02Å |
| 979 | D | 79.2 | Confident | 78.1 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | trans | -77.7 | 114.9 | 173 | -179.5 | 1.1 | 0 | 0 | 0 | 112.3 | W951 K981 S982 G983 R984 L986 | W951-D979 WeakPolarHBondContact CB-O 3.21Å; D979-K981 PolarHBondContact O-N 3.38Å; D979-K981 PolarHBondContact OD1-N 2.81Å; D979-S982 VanDerWaalsContact CB-OG 3.3Å; D979-S982 WeakPolarHBondContact CB-OG 3.44Å; D979-S982 PolarHBondContact O-N 3.42Å; D979-S982 WeakPolarHBondContact OD2-CB 3.32Å; D979-S982 PolarHBondContact OD2-OG 3.2Å; D979-G983 PolarHBondContact O-N 3.48Å; D979-R984 HydrophobicContact CB-CB 4.43Å; D979-R984 PolarHBondContact N-O 3.33Å; D979-L986 HydrophobicContact CB-CD1 4.13Å; D979-L986 HydrophobicContact CB-CD2 4.4Å; D979-L986 HydrophobicContact CB-CG 4.36Å | ||
| 980 | H | 77.3 | Confident | 78.2 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -10.9 | 175.8 | 71.9 | -57.3 | 0 | 0 | 0 | 117.2 | Y950 W951 G952 C978 | Y950-H980 WeakPolarHBondContact O-CA 3.44Å; W951-H980 VanDerWaalsContact CA-O 3.3Å; W951-H980 WeakPolarHBondContact CA-O 3.42Å; G952-H980 PolarHBondContact N-O 2.8Å; G952-H980 VanDerWaalsContact N-O 3.13Å; C978-H980 PolarHBondContact O-N 2.85Å |
| 981 | K | 73.9 | Confident | 78.5 | Confident | 150 Ų | 150 | 70 Ų | 70 | 65% | 0.652 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -31 | 175.2 | -67.6 | -169.5 | 177.3 | -166.2 | 0 | 115 | D979 | D979-K981 PolarHBondContact O-N 3.38Å; D979-K981 PolarHBondContact OD1-N 2.81Å |
| 982 | S | 78.6 | Confident | 79 | Confident | 35 Ų | 35 | 66.9 Ų | 66.9 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -6.7 | -167.7 | 68.9 | 0 | 0 | 0 | 0 | 114.2 | D979 R984 Y995 | D979-S982 VanDerWaalsContact CB-OG 3.3Å; D979-S982 WeakPolarHBondContact CB-OG 3.44Å; D979-S982 PolarHBondContact O-N 3.42Å; D979-S982 WeakPolarHBondContact OD2-CB 3.32Å; D979-S982 PolarHBondContact OD2-OG 3.2Å; S982-R984 PolarHBondContact O-N 3.49Å; S982-R984 VanDerWaalsContact O-N 3.08Å; S982-R984 WeakPolarHBondContact OG-CB 3.46Å; S982-Y995 PolarHBondContact O-OH 3.37Å |
| 983 | G | 78 | Confident | 79.5 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 8% | 0.082 | 33% | 0.333 | C | S | . | . | trans | 70.2 | -1.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | W951 C978 D979 C985 | W951-G983 VanDerWaalsContact CD2-CA 3.42Å; C978-G983 PolarHBondContact SG-O 2.77Å; C978-G983 VanDerWaalsContact SG-O 3.37Å; D979-G983 PolarHBondContact O-N 3.48Å; G983-C985 PolarHBondContact O-N 3.45Å | ||
| 984 | R | 81.1 | Confident | 79.6 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 48% | 0.475 | 30% | 0.3 | S | S | . | . | trans | -66.3 | 130.2 | -178.4 | -173.9 | 177.8 | 172.8 | 174.8 | 0.9 | 111 | C978 D979 S982 L986 Y995 | C978-R984 CarbonylContact C-O 3.5Å; C978-R984 VanDerWaalsContact CA-O 3.32Å; C978-R984 WeakPolarHBondContact CA-O 3.02Å; D979-R984 HydrophobicContact CB-CB 4.43Å; D979-R984 PolarHBondContact N-O 3.33Å; S982-R984 PolarHBondContact O-N 3.49Å; S982-R984 VanDerWaalsContact O-N 3.08Å; S982-R984 WeakPolarHBondContact OG-CB 3.46Å; R984-L986 HydrophobicContact CG-CD2 4.4Å; R984-L986 PolarHBondContact O-N 2.7Å; R984-Y995 HydrophobicContact CB-CD1 4.33Å; R984-Y995 HydrophobicContact CB-CD2 4.41Å; R984-Y995 HydrophobicContact CB-CE1 3.82Å; R984-Y995 HydrophobicContact CB-CE2 3.91Å; R984-Y995 HydrophobicContact CG-CD1 4.38Å; R984-Y995 HydrophobicContact CG-CD2 3.97Å; R984-Y995 HydrophobicContact CG-CE1 4.31Å; R984-Y995 HydrophobicContact CG-CE2 3.9Å; R984-Y995 HydrophobicContact CG-CG 4.22Å | ||
| 985 | C | 84.7 | Confident | 80.2 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 125.2 | 174.1 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | C966 I970 G983 Y995 C997 | C966-C985 WeakPolarHBondContact CA-SG 3.43Å; C966-C985 HydrophobicContact CB-CB 3.84Å; C966-C985 WeakPolarHBondContact CB-SG 3.48Å; C966-C985 WeakPolarHBondContact SG-CB 3.42Å; C966-C985 CovalentContact SG-SG 2.01Å; C966-C985 PolarHBondContact SG-SG 3.37Å; I970-C985 HydrophobicContact CG2-CB 4.12Å; G983-C985 PolarHBondContact O-N 3.45Å; C985-Y995 WeakPolarHBondContact CB-O 3.4Å; C985-Y995 PolarHBondContact N-O 3.41Å; C985-Y995 PolarHBondContact SG-O 3.24Å; C985-Y995 VanDerWaalsContact SG-O 3.34Å; C985-C997 VanDerWaalsContact CB-SG 3.51Å |
| 986 | L | 80.7 | Confident | 80.9 | Confident | 92 Ų | 92 | 63 Ų | 63 | 48% | 0.482 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -105.8 | -16.4 | -171.7 | -60.2 | -179.2 | 0 | 0 | 0 | 113.4 | S977 D979 R984 | S977-L986 PolarHBondContact O-N 3.49Å; D979-L986 HydrophobicContact CB-CD1 4.13Å; D979-L986 HydrophobicContact CB-CD2 4.4Å; D979-L986 HydrophobicContact CB-CG 4.36Å; R984-L986 HydrophobicContact CG-CD2 4.4Å; R984-L986 PolarHBondContact O-N 2.7Å |
| 987 | K | 80.8 | Confident | 81.5 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -138.9 | 66.6 | -173.8 | -63.9 | -178.5 | -178.3 | 173.2 | 0 | 111.5 | V974 P975 N976 S977 | V974-K987 HydrophobicContact CG1-CD 3.76Å; P975-K987 PolarHBondContact O-NZ 3.02Å; N976-K987 WeakPolarHBondContact O-CE 3.04Å; S977-K987 PolarHBondContact O-N 3.06Å |
| 988 | C | 84.7 | Confident | 81.8 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 22% | 0.216 | 29% | 0.292 | C | S | . | . | trans | -64 | 139.1 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | N969 T992 C997 | N969-C988 CarbonylContact O-C 3Å; N969-C988 WeakPolarHBondContact O-CA 3.32Å; C988-T992 WeakPolarHBondContact CB-O 3.35Å; C988-C997 WeakPolarHBondContact CA-SG 3.37Å; C988-C997 HydrophobicContact CB-CB 3.71Å; C988-C997 WeakPolarHBondContact CB-SG 3.34Å; C988-C997 VanDerWaalsContact SG-CA 3.5Å; C988-C997 WeakPolarHBondContact SG-CB 3.31Å; C988-C997 CovalentContact SG-SG 2.03Å; C988-C997 PolarHBondContact SG-SG 3.11Å | ||
| 989 | I | 84.2 | Confident | 81.9 | Confident | 64 Ų | 64 | 64 Ų | 64 | 33% | 0.328 | 31% | 0.308 | S | S | . | . | trans | -112.3 | -175.2 | 175.1 | 49.6 | 169.2 | 0 | 0 | 0 | 110.8 | N969 N991 T992 | N969-I989 VanDerWaalsContact C-CG1 3.44Å; N969-I989 WeakPolarHBondContact O-CG1 3.33Å; N969-I989 PolarHBondContact O-N 3.45Å; I989-N991 VanDerWaalsContact C-N 3.3Å; I989-N991 PolarHBondContact O-N 2.61Å; I989-T992 PolarHBondContact O-N 2.87Å; I989-T992 VanDerWaalsContact O-N 3.14Å; I989-T992 PolarHBondContact O-OG1 3.49Å | ||
| 990 | Y | 86.5 | Confident | 82.2 | Confident | 109 Ų | 109 | 62 Ų | 62 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 33.1 | 178.8 | -48.9 | -66.1 | 0 | 0 | 0 | 116.3 | N969 T992 Q1011 | N969-Y990 WeakPolarHBondContact OD1-CD2 3.13Å; Y990-T992 VanDerWaalsContact C-N 3.29Å; Y990-T992 PolarHBondContact O-N 2.89Å; Y990-Q1011 HydrophobicContact CD1-CB 4.27Å; Y990-Q1011 HydrophobicContact CD1-CG 4.3Å; Y990-Q1011 HydrophobicContact CD2-CB 4.31Å; Y990-Q1011 VanDerWaalsContact CD2-CD 3.43Å; Y990-Q1011 HydrophobicContact CD2-CG 3.55Å; Y990-Q1011 HydrophobicContact CE2-CG 4.04Å; Y990-Q1011 HydrophobicContact CG-CB 3.93Å; Y990-Q1011 HydrophobicContact CG-CG 3.7Å |
| 991 | N | 86.2 | Confident | 82.5 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 35% | 0.348 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 31.8 | -176.7 | -49.1 | -46 | 0 | 0 | 0 | 114.6 | I989 M1001 F1004 C1013 | I989-N991 VanDerWaalsContact C-N 3.3Å; I989-N991 PolarHBondContact O-N 2.61Å; N991-M1001 HydrophobicContact CB-CE 4.36Å; N991-M1001 PolarHBondContact O-N 2.9Å; N991-F1004 HydrophobicContact CB-CD1 3.58Å; N991-F1004 HydrophobicContact CB-CD2 4.47Å; N991-F1004 HydrophobicContact CB-CE1 3.8Å; N991-F1004 HydrophobicContact CB-CG 3.96Å; N991-F1004 HydrophobicContact CB-CZ 4.34Å; N991-F1004 WeakPolarHBondContact ND2-CE1 3.41Å; N991-C1013 HydrophobicContact CB-CB 3.92Å; N991-C1013 PolarHBondContact ND2-O 3.28Å; N991-C1013 VanDerWaalsContact ND2-O 3.17Å |
| 992 | T | 86.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 160.3 | 179.8 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | C988 I989 Y990 N999 A1008 | C988-T992 WeakPolarHBondContact CB-O 3.35Å; I989-T992 PolarHBondContact O-N 2.87Å; I989-T992 VanDerWaalsContact O-N 3.14Å; I989-T992 PolarHBondContact O-OG1 3.49Å; Y990-T992 VanDerWaalsContact C-N 3.29Å; Y990-T992 PolarHBondContact O-N 2.89Å; T992-N999 CarbonylContact C-O 3.57Å; T992-N999 WeakPolarHBondContact CA-O 3.48Å; T992-N999 WeakPolarHBondContact CB-O 3.22Å; T992-A1008 HydrophobicContact CG2-CB 3.62Å |
| 993 | D | 83.3 | Confident | 82.8 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 169.8 | 175.3 | -175.8 | 24.4 | 0 | 0 | 0 | 109.4 | C997 E998 N999 M1001 | D993-C997 CarbonylContact O-C 3.51Å; D993-E998 PolarHBondContact O-N 3.44Å; D993-N999 PolarHBondContact N-O 3.2Å; D993-N999 WeakPolarHBondContact O-CA 2.92Å; D993-N999 WeakPolarHBondContact O-CB 3.05Å; D993-N999 PolarHBondContact O-N 3.1Å; D993-N999 PolarHBondContact O-ND2 2.93Å; D993-N999 VanDerWaalsContact O-O 3.08Å; D993-M1001 HydrophobicContact CB-CG 3.8Å |
| 994 | G | 74.5 | Confident | 83.2 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 124.9 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q996 E998 | G994-Q996 VanDerWaalsContact C-N 3.29Å; G994-Q996 PolarHBondContact O-N 3.34Å; G994-E998 VanDerWaalsContact C-OE2 3.3Å; G994-E998 WeakPolarHBondContact CA-OE1 3.46Å; G994-E998 WeakPolarHBondContact CA-OE2 3.46Å |
| 995 | Y | 80.9 | Confident | 83.5 | Confident | 117 Ų | 117 | 55 Ų | 55 | 46% | 0.459 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -31.9 | -177.9 | -159.4 | -82.7 | 0 | 0 | 0 | 112 | S982 R984 C985 E998 | S982-Y995 PolarHBondContact O-OH 3.37Å; R984-Y995 HydrophobicContact CB-CD1 4.33Å; R984-Y995 HydrophobicContact CB-CD2 4.41Å; R984-Y995 HydrophobicContact CB-CE1 3.82Å; R984-Y995 HydrophobicContact CB-CE2 3.91Å; R984-Y995 HydrophobicContact CG-CD1 4.38Å; R984-Y995 HydrophobicContact CG-CD2 3.97Å; R984-Y995 HydrophobicContact CG-CE1 4.31Å; R984-Y995 HydrophobicContact CG-CE2 3.9Å; R984-Y995 HydrophobicContact CG-CG 4.22Å; C985-Y995 WeakPolarHBondContact CB-O 3.4Å; C985-Y995 PolarHBondContact N-O 3.41Å; C985-Y995 PolarHBondContact SG-O 3.24Å; C985-Y995 VanDerWaalsContact SG-O 3.34Å; Y995-E998 PolarHBondContact N-OE1 3.33Å; Y995-E998 PolarHBondContact N-OE2 3.44Å |
| 996 | Q | 84.9 | Confident | 83.5 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 21.3 | 176.7 | -58.1 | -168.7 | -74.3 | 0 | 0 | 112.2 | D965 C966 N967 G994 E998 | D965-Q996 WeakPolarHBondContact O-CG 3.26Å; D965-Q996 PolarHBondContact O-NE2 2.79Å; C966-Q996 CarbonylContact C-O 3.58Å; C966-Q996 VanDerWaalsContact CA-O 3.24Å; C966-Q996 WeakPolarHBondContact CA-O 3.19Å; N967-Q996 WeakPolarHBondContact ND2-CB 3.07Å; N967-Q996 PolarHBondContact ND2-O 3.34Å; G994-Q996 VanDerWaalsContact C-N 3.29Å; G994-Q996 PolarHBondContact O-N 3.34Å; Q996-E998 VanDerWaalsContact C-N 3.26Å; Q996-E998 VanDerWaalsContact CA-OE2 3.27Å; Q996-E998 WeakPolarHBondContact CA-OE2 3.48Å; Q996-E998 PolarHBondContact N-OE2 3.33Å; Q996-E998 PolarHBondContact O-N 3.28Å |
| 997 | C | 86 | Confident | 83.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 56.4 | 37.9 | -174.9 | -50.7 | 0 | 0 | 0 | 0 | 113.5 | N969 C985 C988 D993 | N969-C997 HydrophobicContact CB-CB 3.54Å; N969-C997 PolarHBondContact ND2-O 2.99Å; C985-C997 VanDerWaalsContact CB-SG 3.51Å; C988-C997 WeakPolarHBondContact CA-SG 3.37Å; C988-C997 HydrophobicContact CB-CB 3.71Å; C988-C997 WeakPolarHBondContact CB-SG 3.34Å; C988-C997 VanDerWaalsContact SG-CA 3.5Å; C988-C997 WeakPolarHBondContact SG-CB 3.31Å; C988-C997 CovalentContact SG-SG 2.03Å; C988-C997 PolarHBondContact SG-SG 3.11Å; D993-C997 CarbonylContact O-C 3.51Å |
| 998 | E | 84 | Confident | 83.4 | Confident | 63 Ų | 63 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | trans | -90.7 | -6.7 | -169.7 | 72.5 | -72.1 | 170.8 | 0 | 0 | 115.3 | D993 G994 Y995 Q996 A1008 | D993-E998 PolarHBondContact O-N 3.44Å; G994-E998 VanDerWaalsContact C-OE2 3.3Å; G994-E998 WeakPolarHBondContact CA-OE1 3.46Å; G994-E998 WeakPolarHBondContact CA-OE2 3.46Å; Y995-E998 PolarHBondContact N-OE1 3.33Å; Y995-E998 PolarHBondContact N-OE2 3.44Å; Q996-E998 VanDerWaalsContact C-N 3.26Å; Q996-E998 VanDerWaalsContact CA-OE2 3.27Å; Q996-E998 WeakPolarHBondContact CA-OE2 3.48Å; Q996-E998 PolarHBondContact N-OE2 3.33Å; Q996-E998 PolarHBondContact O-N 3.28Å; E998-A1008 WeakPolarHBondContact O-CB 3.48Å | ||
| 999 | N | 83.1 | Confident | 83 | Confident | 66 Ų | 66 | 56.9 Ų | 56.9 | 35% | 0.353 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 153.7 | -179.6 | -50.3 | -81.8 | 0 | 0 | 0 | 110.7 | T992 D993 | T992-N999 CarbonylContact C-O 3.57Å; T992-N999 WeakPolarHBondContact CA-O 3.48Å; T992-N999 WeakPolarHBondContact CB-O 3.22Å; D993-N999 PolarHBondContact N-O 3.2Å; D993-N999 WeakPolarHBondContact O-CA 2.92Å; D993-N999 WeakPolarHBondContact O-CB 3.05Å; D993-N999 PolarHBondContact O-N 3.1Å; D993-N999 PolarHBondContact O-ND2 2.93Å; D993-N999 VanDerWaalsContact O-O 3.08Å |
| 1000 | C | 86.1 | Confident | 82.8 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 148.5 | 163.4 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | F1004 C1013 R1032 | C1000-F1004 HydrophobicContact CB-CB 4.12Å; C1000-F1004 WeakPolarHBondContact CB-O 3.27Å; C1000-C1013 WeakPolarHBondContact CA-SG 3.39Å; C1000-C1013 HydrophobicContact CB-CB 3.81Å; C1000-C1013 WeakPolarHBondContact CB-SG 3.4Å; C1000-C1013 VanDerWaalsContact SG-CA 3.57Å; C1000-C1013 WeakPolarHBondContact SG-CB 3.48Å; C1000-C1013 CovalentContact SG-SG 2.04Å; C1000-C1013 PolarHBondContact SG-SG 3.13Å; C1000-R1032 WeakPolarHBondContact O-CD 3.48Å; C1000-R1032 PolarHBondContact O-NH1 3.32Å |
| 1001 | M | 83 | Confident | 82.5 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 152.5 | 174 | -85.4 | -162.6 | -87.5 | 0 | 0 | 111.5 | N991 D993 G1003 F1004 | N991-M1001 HydrophobicContact CB-CE 4.36Å; N991-M1001 PolarHBondContact O-N 2.9Å; D993-M1001 HydrophobicContact CB-CG 3.8Å; M1001-G1003 PolarHBondContact O-N 3.21Å; M1001-F1004 HydrophobicContact CB-CD2 4.17Å; M1001-F1004 WeakPolarHBondContact O-CB 3.13Å; M1001-F1004 PolarHBondContact O-N 3.45Å |
| 1002 | P | 79.2 | Confident | 82.3 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 126.8 | 174.5 | -25.9 | 34.3 | 0 | 0 | 0 | 112.4 | P1029 | P1002-P1029 HydrophobicContact CB-CG 4.37Š|
| 1003 | G | 79.8 | Confident | 82.3 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 22% | 0.216 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 4.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1001 C1016 | M1001-G1003 PolarHBondContact O-N 3.21Å; G1003-C1016 PolarHBondContact O-N 2.86Å |
| 1004 | F | 87.5 | Confident | 82.3 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.2 | 169.6 | -67 | -106.5 | 0 | 0 | 0 | 110.9 | N991 C1000 M1001 C1013 K1014 K1015 | N991-F1004 HydrophobicContact CB-CD1 3.58Å; N991-F1004 HydrophobicContact CB-CD2 4.47Å; N991-F1004 HydrophobicContact CB-CE1 3.8Å; N991-F1004 HydrophobicContact CB-CG 3.96Å; N991-F1004 HydrophobicContact CB-CZ 4.34Å; N991-F1004 WeakPolarHBondContact ND2-CE1 3.41Å; C1000-F1004 HydrophobicContact CB-CB 4.12Å; C1000-F1004 WeakPolarHBondContact CB-O 3.27Å; M1001-F1004 HydrophobicContact CB-CD2 4.17Å; M1001-F1004 WeakPolarHBondContact O-CB 3.13Å; M1001-F1004 PolarHBondContact O-N 3.45Å; F1004-C1013 HydrophobicContact CB-CB 4.35Å; F1004-K1014 CarbonylContact C-O 3.46Å; F1004-K1014 WeakPolarHBondContact CA-O 3.39Å; F1004-K1014 WeakPolarHBondContact CB-O 3.36Å; F1004-K1014 VanDerWaalsContact CD1-C 3.44Å; F1004-K1015 HydrophobicContact CD1-CB 4.07Å; F1004-K1015 VanDerWaalsContact CD1-N 3.35Å; F1004-K1015 HydrophobicContact CE1-CB 3.8Å; F1004-K1015 HydrophobicContact CE1-CG 4.49Å; F1004-K1015 HydrophobicContact CZ-CB 4.24Å; F1004-K1015 HydrophobicContact CZ-CG 4.47Å |
| 1005 | Y | 86.9 | Confident | 82.7 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153 | -179.8 | 82.4 | -77.6 | 0 | 0 | 0 | 113.5 | C1013 K1014 C1016 D1031 R1032 S1034 G1035 | Y1005-C1013 CarbonylContact O-C 3.54Å; Y1005-C1013 VanDerWaalsContact O-CA 3.32Å; Y1005-C1013 WeakPolarHBondContact O-CA 3.39Å; Y1005-K1014 HydrophobicContact CD1-CB 4.25Å; Y1005-K1014 WeakPolarHBondContact CD1-O 3.34Å; Y1005-K1014 HydrophobicContact CE1-CB 3.9Å; Y1005-K1014 PolarHBondContact N-O 3.46Å; Y1005-K1014 PolarHBondContact O-N 2.89Å; Y1005-C1016 VanDerWaalsContact CD1-SG 3.59Å; Y1005-D1031 WeakPolarHBondContact CB-O 3.16Å; Y1005-R1032 VanDerWaalsContact CA-O 3.25Å; Y1005-R1032 WeakPolarHBondContact CA-O 3.39Å; Y1005-S1034 VanDerWaalsContact CD2-C 3.44Å; Y1005-S1034 WeakPolarHBondContact CD2-O 3.49Å; Y1005-S1034 WeakPolarHBondContact CE2-O 3.49Å; Y1005-G1035 VanDerWaalsContact CD2-N 3.29Å |
| 1006 | G | 84.3 | Confident | 82.8 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 19% | 0.186 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 139.5 | -159.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1032 | G1006-R1032 PolarHBondContact N-O 2.87Š|
| 1007 | D | 81.9 | Confident | 82.8 | Confident | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | trans | -101.9 | 114.2 | 171.5 | 168.4 | 29.1 | 0 | 0 | 0 | 110.3 | R1009 T1010 Q1011 S1012 | D1007-R1009 VanDerWaalsContact C-N 3.27Å; D1007-R1009 PolarHBondContact O-N 3.39Å; D1007-R1009 WeakPolarHBondContact OD1-CB 3.5Å; D1007-R1009 PolarHBondContact OD1-N 3.15Å; D1007-T1010 WeakPolarHBondContact CB-OG1 3.12Å; D1007-T1010 VanDerWaalsContact CG-OG1 3.23Å; D1007-T1010 PolarHBondContact O-N 3.48Å; D1007-T1010 PolarHBondContact O-OG1 2.87Å; D1007-T1010 WeakPolarHBondContact OD2-CB 3.19Å; D1007-T1010 WeakPolarHBondContact OD2-CG2 3.48Å; D1007-T1010 PolarHBondContact OD2-N 2.76Å; D1007-T1010 PolarHBondContact OD2-OG1 3.49Å; D1007-Q1011 PolarHBondContact O-N 2.93Å; D1007-S1012 WeakPolarHBondContact CA-OG 3.33Å; D1007-S1012 PolarHBondContact N-OG 2.69Å; D1007-S1012 PolarHBondContact O-N 2.81Å; D1007-S1012 PolarHBondContact O-OG 3.2Å | ||
| 1008 | A | 78.2 | Confident | 82.7 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -62.9 | -30.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N969 T992 E998 T1010 Q1011 | N969-A1008 PolarHBondContact ND2-O 3.47Å; T992-A1008 HydrophobicContact CG2-CB 3.62Å; E998-A1008 WeakPolarHBondContact O-CB 3.48Å; A1008-T1010 VanDerWaalsContact C-N 3.26Å; A1008-T1010 PolarHBondContact O-N 3.37Å; A1008-Q1011 PolarHBondContact O-N 3.41Å |
| 1009 | R | 75.2 | Confident | 82.6 | Confident | 177 Ų | 177 | 63.6 Ų | 63.6 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -71.2 | -23.4 | -179.8 | -60.5 | 176.3 | 173.4 | 171.3 | -0.2 | 112.7 | D1007 | D1007-R1009 VanDerWaalsContact C-N 3.27Å; D1007-R1009 PolarHBondContact O-N 3.39Å; D1007-R1009 WeakPolarHBondContact OD1-CB 3.5Å; D1007-R1009 PolarHBondContact OD1-N 3.15Å |
| 1010 | T | 80.4 | Confident | 82.5 | Confident | 93 Ų | 93 | 67 Ų | 67 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -104.9 | 13.2 | 175.2 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | D1007 A1008 S1012 | D1007-T1010 WeakPolarHBondContact CB-OG1 3.12Å; D1007-T1010 VanDerWaalsContact CG-OG1 3.23Å; D1007-T1010 PolarHBondContact O-N 3.48Å; D1007-T1010 PolarHBondContact O-OG1 2.87Å; D1007-T1010 WeakPolarHBondContact OD2-CB 3.19Å; D1007-T1010 WeakPolarHBondContact OD2-CG2 3.48Å; D1007-T1010 PolarHBondContact OD2-N 2.76Å; D1007-T1010 PolarHBondContact OD2-OG1 3.49Å; A1008-T1010 VanDerWaalsContact C-N 3.26Å; A1008-T1010 PolarHBondContact O-N 3.37Å; T1010-S1012 PolarHBondContact O-N 2.95Å; T1010-S1012 PolarHBondContact OG1-OG 3.31Å |
| 1011 | Q | 79.6 | Confident | 82.3 | Confident | 89 Ų | 89 | 69.9 Ų | 69.9 | 42% | 0.416 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 28 | 177.8 | -58.2 | 171.7 | -1.9 | 0 | 0 | 113.3 | N969 Y990 D1007 A1008 | N969-Q1011 WeakPolarHBondContact OD1-CG 3.39Å; Y990-Q1011 HydrophobicContact CD1-CB 4.27Å; Y990-Q1011 HydrophobicContact CD1-CG 4.3Å; Y990-Q1011 HydrophobicContact CD2-CB 4.31Å; Y990-Q1011 VanDerWaalsContact CD2-CD 3.43Å; Y990-Q1011 HydrophobicContact CD2-CG 3.55Å; Y990-Q1011 HydrophobicContact CE2-CG 4.04Å; Y990-Q1011 HydrophobicContact CG-CB 3.93Å; Y990-Q1011 HydrophobicContact CG-CG 3.7Å; D1007-Q1011 PolarHBondContact O-N 2.93Å; A1008-Q1011 PolarHBondContact O-N 3.41Å |
| 1012 | S | 82.6 | Confident | 82.4 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | trans | -95.1 | 9.5 | -170.2 | 64.4 | 0 | 0 | 0 | 0 | 114.8 | D1007 T1010 K1014 | D1007-S1012 WeakPolarHBondContact CA-OG 3.33Å; D1007-S1012 PolarHBondContact N-OG 2.69Å; D1007-S1012 PolarHBondContact O-N 2.81Å; D1007-S1012 PolarHBondContact O-OG 3.2Å; T1010-S1012 PolarHBondContact O-N 2.95Å; T1010-S1012 PolarHBondContact OG1-OG 3.31Å; S1012-K1014 PolarHBondContact O-N 3.39Å | ||
| 1013 | C | 86.6 | Confident | 82.6 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 5% | 0.054 | 33% | 0.326 | C | S | . | . | trans | -62.7 | 100.9 | -177.8 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | N991 C1000 F1004 Y1005 | N991-C1013 HydrophobicContact CB-CB 3.92Å; N991-C1013 PolarHBondContact ND2-O 3.28Å; N991-C1013 VanDerWaalsContact ND2-O 3.17Å; C1000-C1013 WeakPolarHBondContact CA-SG 3.39Å; C1000-C1013 HydrophobicContact CB-CB 3.81Å; C1000-C1013 WeakPolarHBondContact CB-SG 3.4Å; C1000-C1013 VanDerWaalsContact SG-CA 3.57Å; C1000-C1013 WeakPolarHBondContact SG-CB 3.48Å; C1000-C1013 CovalentContact SG-SG 2.04Å; C1000-C1013 PolarHBondContact SG-SG 3.13Å; F1004-C1013 HydrophobicContact CB-CB 4.35Å; Y1005-C1013 CarbonylContact O-C 3.54Å; Y1005-C1013 VanDerWaalsContact O-CA 3.32Å; Y1005-C1013 WeakPolarHBondContact O-CA 3.39Å | ||
| 1014 | K | 83.6 | Confident | 82.8 | Confident | 136 Ų | 136 | 64.9 Ų | 64.9 | 59% | 0.591 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 148.2 | 177.4 | -70.2 | 170.8 | -173.3 | 173.4 | 0 | 111.1 | F1004 Y1005 S1012 | F1004-K1014 CarbonylContact C-O 3.46Å; F1004-K1014 WeakPolarHBondContact CA-O 3.39Å; F1004-K1014 WeakPolarHBondContact CB-O 3.36Å; F1004-K1014 VanDerWaalsContact CD1-C 3.44Å; Y1005-K1014 HydrophobicContact CD1-CB 4.25Å; Y1005-K1014 WeakPolarHBondContact CD1-O 3.34Å; Y1005-K1014 HydrophobicContact CE1-CB 3.9Å; Y1005-K1014 PolarHBondContact N-O 3.46Å; Y1005-K1014 PolarHBondContact O-N 2.89Å; S1012-K1014 PolarHBondContact O-N 3.39Å |
| 1015 | K | 82.9 | Confident | 82.1 | Confident | 154 Ų | 154 | 69.5 Ų | 69.5 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134.9 | 174.8 | -172.5 | -177.4 | 176.3 | -176.9 | 0 | 110.1 | F1004 | F1004-K1015 HydrophobicContact CD1-CB 4.07Å; F1004-K1015 VanDerWaalsContact CD1-N 3.35Å; F1004-K1015 HydrophobicContact CE1-CB 3.8Å; F1004-K1015 HydrophobicContact CE1-CG 4.49Å; F1004-K1015 HydrophobicContact CZ-CB 4.24Å; F1004-K1015 HydrophobicContact CZ-CG 4.47Å |
| 1016 | C | 83.4 | Confident | 81.5 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 12% | 0.122 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 149.1 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | G1003 Y1005 C1030 | G1003-C1016 PolarHBondContact O-N 2.86Å; Y1005-C1016 VanDerWaalsContact CD1-SG 3.59Å; C1016-C1030 HydrophobicContact CB-CB 3.57Å; C1016-C1030 WeakPolarHBondContact CB-SG 3.45Å; C1016-C1030 WeakPolarHBondContact SG-CB 3.26Å; C1016-C1030 CovalentContact SG-SG 2.01Å; C1016-C1030 PolarHBondContact SG-SG 3.16Å |
| 1017 | V | 83.9 | Confident | 80.9 | Confident | 87 Ų | 87 | 75 Ų | 75 | 53% | 0.527 | 40% | 0.397 | S | S | . | . | trans | -123.5 | 116.5 | 175.4 | -176.1 | 0 | 0 | 0 | 0 | 106.3 | C1037 E1047 | V1017-C1037 PolarHBondContact O-SG 3.23Å; V1017-E1047 HydrophobicContact CB-CG 4.39Å; V1017-E1047 HydrophobicContact CG1-CG 4.48Å; V1017-E1047 WeakPolarHBondContact CG1-OE2 3.46Å; V1017-E1047 WeakPolarHBondContact O-CA 3.33Å; V1017-E1047 VanDerWaalsContact O-CB 3.3Å; V1017-E1047 WeakPolarHBondContact O-CB 3.37Å; V1017-E1047 VanDerWaalsContact O-CG 3.28Å; V1017-E1047 WeakPolarHBondContact O-CG 3.4Å | ||
| 1018 | C | 84 | Confident | 80.2 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 34% | 0.338 | 40% | 0.398 | S | S | . | . | trans | -125.2 | 130.3 | -178 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | I1020 T1023 C1037 | C1018-I1020 PolarHBondContact O-N 3.31Å; C1018-T1023 HydrophobicContact CB-CG2 4.01Å; C1018-T1023 WeakPolarHBondContact CB-OG1 3.25Å; C1018-C1037 WeakPolarHBondContact CA-SG 3.3Å; C1018-C1037 HydrophobicContact CB-CB 3.71Å; C1018-C1037 WeakPolarHBondContact CB-SG 3.27Å; C1018-C1037 WeakPolarHBondContact SG-CB 3.5Å; C1018-C1037 CovalentContact SG-SG 2.03Å; C1018-C1037 PolarHBondContact SG-SG 2.95Å | ||
| 1019 | N | 83.2 | Confident | 80 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | trans | -75.6 | 115.8 | 176.3 | -176.4 | -19 | 0 | 0 | 0 | 109.4 | L1021 G1022 T1023 E1047 D1049 | N1019-L1021 PolarHBondContact O-N 2.85Å; N1019-L1021 PolarHBondContact OD1-N 3.2Å; N1019-L1021 VanDerWaalsContact OD1-N 3.08Å; N1019-G1022 PolarHBondContact O-N 3.29Å; N1019-G1022 VanDerWaalsContact O-N 3.09Å; N1019-T1023 WeakPolarHBondContact O-CB 3.46Å; N1019-T1023 PolarHBondContact O-N 2.96Å; N1019-T1023 PolarHBondContact O-OG1 3.25Å; N1019-E1047 VanDerWaalsContact CB-O 3.24Å; N1019-E1047 WeakPolarHBondContact CB-O 3.45Å; N1019-E1047 PolarHBondContact N-O 3.41Å; N1019-D1049 HydrophobicContact CB-CB 4.12Å | ||
| 1020 | I | 80.6 | Confident | 80.4 | Confident | 136 Ų | 136 | 69.2 Ų | 69.2 | 70% | 0.697 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18.1 | -176.1 | 62.7 | 171.9 | 0 | 0 | 0 | 114.6 | C1018 | C1018-I1020 PolarHBondContact O-N 3.31Š|
| 1021 | L | 82.7 | Confident | 80.5 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 34% | 0.335 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -26.9 | 179.3 | -60.5 | 179.2 | 0 | 0 | 0 | 112.5 | N1019 I1058 | N1019-L1021 PolarHBondContact O-N 2.85Å; N1019-L1021 PolarHBondContact OD1-N 3.2Å; N1019-L1021 VanDerWaalsContact OD1-N 3.08Å; L1021-I1058 HydrophobicContact CB-CG1 4.41Å; L1021-I1058 VanDerWaalsContact O-O 3.13Å |
| 1022 | G | 83.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -2.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1019 C1039 L1040 C1048 | N1019-G1022 PolarHBondContact O-N 3.29Å; N1019-G1022 VanDerWaalsContact O-N 3.09Å; G1022-C1039 CarbonylContact O-C 3.27Å; G1022-C1039 WeakPolarHBondContact O-CA 3.48Å; G1022-L1040 PolarHBondContact O-N 2.72Å; G1022-C1048 WeakPolarHBondContact CA-O 3.42Å; G1022-C1048 WeakPolarHBondContact O-CB 3.32Å |
| 1023 | T | 84.9 | Confident | 80.2 | Confident | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -103.3 | 132.3 | -178.7 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | C1018 N1019 I1025 C1037 P1038 | C1018-T1023 HydrophobicContact CB-CG2 4.01Å; C1018-T1023 WeakPolarHBondContact CB-OG1 3.25Å; N1019-T1023 WeakPolarHBondContact O-CB 3.46Å; N1019-T1023 PolarHBondContact O-N 2.96Å; N1019-T1023 PolarHBondContact O-OG1 3.25Å; T1023-I1025 PolarHBondContact O-N 3.2Å; T1023-I1025 VanDerWaalsContact O-N 3.09Å; T1023-C1037 HydrophobicContact CG2-CB 4.11Å; T1023-P1038 CarbonylContact C-O 3.51Å; T1023-P1038 WeakPolarHBondContact CA-O 3.34Å; T1023-P1038 HydrophobicContact CG2-CG 3.89Å; T1023-P1038 WeakPolarHBondContact CG2-O 3.43Å |
| 1024 | D | 82.4 | Confident | 80 | Confident | 53 Ų | 53 | 74.6 Ų | 74.6 | 28% | 0.283 | 42% | 0.418 | S | S | . | . | trans | -73.1 | 97.6 | 167.5 | -176 | -8.8 | 0 | 0 | 0 | 110.1 | T1026 A1027 P1038 L1040 | D1024-T1026 PolarHBondContact O-N 3.18Å; D1024-T1026 VanDerWaalsContact O-N 3.15Å; D1024-T1026 WeakPolarHBondContact OD1-CA 3.34Å; D1024-T1026 WeakPolarHBondContact OD1-CB 3.43Å; D1024-T1026 PolarHBondContact OD1-N 3.35Å; D1024-T1026 PolarHBondContact OD1-OG1 3.28Å; D1024-A1027 HydrophobicContact CB-CB 4.1Å; D1024-A1027 PolarHBondContact O-N 3Å; D1024-A1027 PolarHBondContact OD1-N 3.2Å; D1024-P1038 PolarHBondContact N-O 2.72Å; D1024-L1040 HydrophobicContact CB-CD2 3.95Å | ||
| 1025 | I | 72.7 | Confident | 79.9 | Confident | 145 Ų | 145 | 68.2 Ų | 68.2 | 74% | 0.744 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.8 | 178.8 | -0.5 | 174.2 | 0 | 0 | 0 | 113.5 | T1023 | T1023-I1025 PolarHBondContact O-N 3.2Å; T1023-I1025 VanDerWaalsContact O-N 3.09Å |
| 1026 | T | 74.3 | Confident | 80.1 | Confident | 127 Ų | 127 | 64.4 Ų | 64.4 | 78% | 0.779 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -23.2 | 179.9 | 71.8 | 0 | 0 | 0 | 0 | 113 | D1024 G1028 | D1024-T1026 PolarHBondContact O-N 3.18Å; D1024-T1026 VanDerWaalsContact O-N 3.15Å; D1024-T1026 WeakPolarHBondContact OD1-CA 3.34Å; D1024-T1026 WeakPolarHBondContact OD1-CB 3.43Å; D1024-T1026 PolarHBondContact OD1-N 3.35Å; D1024-T1026 PolarHBondContact OD1-OG1 3.28Å; T1026-G1028 PolarHBondContact O-N 3.17Å |
| 1027 | A | 71.6 | Confident | 80.2 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -72.1 | -10.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1024 P1038 | D1024-A1027 HydrophobicContact CB-CB 4.1Å; D1024-A1027 PolarHBondContact O-N 3Å; D1024-A1027 PolarHBondContact OD1-N 3.2Å; A1027-P1038 HydrophobicContact CB-CB 3.74Å; A1027-P1038 HydrophobicContact CB-CG 4.02Å |
| 1028 | G | 67.7 | Low | 80.4 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | trans | 106.8 | -169.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1026 | T1026-G1028 PolarHBondContact O-N 3.17Š| ||
| 1029 | P | 74.4 | Confident | 80.5 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -69.6 | 163.7 | 175.9 | 30.9 | -34.8 | 0 | 0 | 0 | 111.6 | P1002 | P1002-P1029 HydrophobicContact CB-CG 4.37Š|
| 1030 | C | 83.7 | Confident | 80.6 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | trans | -45.9 | 156.6 | 168.8 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | C1016 R1032 Q1036 | C1016-C1030 HydrophobicContact CB-CB 3.57Å; C1016-C1030 WeakPolarHBondContact CB-SG 3.45Å; C1016-C1030 WeakPolarHBondContact SG-CB 3.26Å; C1016-C1030 CovalentContact SG-SG 2.01Å; C1016-C1030 PolarHBondContact SG-SG 3.16Å; C1030-R1032 PolarHBondContact O-N 3.42Å; C1030-Q1036 WeakPolarHBondContact CA-O 3.01Å | ||
| 1031 | D | 81.4 | Confident | 80.8 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | trans | -62 | 134.1 | 171.4 | 173.4 | -110.2 | 0 | 0 | 0 | 112.2 | Y1005 V1033 S1034 G1035 Q1036 | Y1005-D1031 WeakPolarHBondContact CB-O 3.16Å; D1031-V1033 VanDerWaalsContact C-N 3.27Å; D1031-V1033 PolarHBondContact O-N 2.92Å; D1031-V1033 PolarHBondContact OD1-N 2.79Å; D1031-S1034 WeakPolarHBondContact CB-OG 3.29Å; D1031-S1034 WeakPolarHBondContact OD1-CB 3.45Å; D1031-S1034 PolarHBondContact OD1-N 2.94Å; D1031-S1034 PolarHBondContact OD1-OG 3.17Å; D1031-G1035 WeakPolarHBondContact O-CA 3.26Å; D1031-G1035 PolarHBondContact O-N 3.05Å; D1031-Q1036 PolarHBondContact N-O 2.74Å | ||
| 1032 | R | 81 | Confident | 81 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12 | -170.9 | -62.3 | -177.3 | -172.6 | -155.9 | 14.7 | 114.3 | C1000 Y1005 G1006 C1030 | C1000-R1032 WeakPolarHBondContact O-CD 3.48Å; C1000-R1032 PolarHBondContact O-NH1 3.32Å; Y1005-R1032 VanDerWaalsContact CA-O 3.25Å; Y1005-R1032 WeakPolarHBondContact CA-O 3.39Å; G1006-R1032 PolarHBondContact N-O 2.87Å; C1030-R1032 PolarHBondContact O-N 3.42Å |
| 1033 | V | 76.2 | Confident | 81.2 | Confident | 112 Ų | 112 | 58.2 Ų | 58.2 | 68% | 0.679 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -50.5 | -178.1 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | D1031 | D1031-V1033 VanDerWaalsContact C-N 3.27Å; D1031-V1033 PolarHBondContact O-N 2.92Å; D1031-V1033 PolarHBondContact OD1-N 2.79Å |
| 1034 | S | 81.9 | Confident | 81.3 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 43% | 0.427 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -28.2 | -176.3 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | Y1005 D1031 Q1036 | Y1005-S1034 VanDerWaalsContact CD2-C 3.44Å; Y1005-S1034 WeakPolarHBondContact CD2-O 3.49Å; Y1005-S1034 WeakPolarHBondContact CE2-O 3.49Å; D1031-S1034 WeakPolarHBondContact CB-OG 3.29Å; D1031-S1034 WeakPolarHBondContact OD1-CB 3.45Å; D1031-S1034 PolarHBondContact OD1-N 2.94Å; D1031-S1034 PolarHBondContact OD1-OG 3.17Å; S1034-Q1036 VanDerWaalsContact C-N 3.27Å; S1034-Q1036 PolarHBondContact OG-N 3.22Å |
| 1035 | G | 82.6 | Confident | 81.2 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | trans | 80.9 | 2.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1005 D1031 C1037 | Y1005-G1035 VanDerWaalsContact CD2-N 3.29Å; D1031-G1035 WeakPolarHBondContact O-CA 3.26Å; D1031-G1035 PolarHBondContact O-N 3.05Å; G1035-C1037 PolarHBondContact O-N 3.19Å | ||
| 1036 | Q | 85.6 | Confident | 81.6 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | trans | -61.5 | 121.7 | 178.9 | -176.2 | 57.1 | 57.4 | 0 | 0 | 110.4 | C1030 D1031 S1034 C1039 G1045 L1046 | C1030-Q1036 WeakPolarHBondContact CA-O 3.01Å; D1031-Q1036 PolarHBondContact N-O 2.74Å; S1034-Q1036 VanDerWaalsContact C-N 3.27Å; S1034-Q1036 PolarHBondContact OG-N 3.22Å; Q1036-C1039 PolarHBondContact NE2-SG 2.96Å; Q1036-G1045 PolarHBondContact NE2-O 2.99Å; Q1036-L1046 HydrophobicContact CB-CD1 4.43Å | ||
| 1037 | C | 86.5 | Confident | 82.1 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | trans | -73.1 | 148 | 170.1 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | V1017 C1018 T1023 G1035 C1039 L1046 C1048 | V1017-C1037 PolarHBondContact O-SG 3.23Å; C1018-C1037 WeakPolarHBondContact CA-SG 3.3Å; C1018-C1037 HydrophobicContact CB-CB 3.71Å; C1018-C1037 WeakPolarHBondContact CB-SG 3.27Å; C1018-C1037 WeakPolarHBondContact SG-CB 3.5Å; C1018-C1037 CovalentContact SG-SG 2.03Å; C1018-C1037 PolarHBondContact SG-SG 2.95Å; T1023-C1037 HydrophobicContact CG2-CB 4.11Å; G1035-C1037 PolarHBondContact O-N 3.19Å; C1037-C1039 PolarHBondContact O-N 3.37Å; C1037-C1039 PolarHBondContact O-SG 2.92Å; C1037-L1046 WeakPolarHBondContact CB-O 3.4Å; C1037-L1046 PolarHBondContact N-O 2.64Å; C1037-L1046 PolarHBondContact SG-O 2.96Å; C1037-L1046 VanDerWaalsContact SG-O 3.4Å; C1037-C1048 VanDerWaalsContact CB-SG 3.53Å; C1037-C1048 PolarHBondContact O-SG 3.4Å | ||
| 1038 | P | 87 | Confident | 82.9 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | trans | -71.8 | 99.7 | 177.2 | 27.7 | -33.2 | 0 | 0 | 0 | 110.3 | T1023 D1024 A1027 | T1023-P1038 CarbonylContact C-O 3.51Å; T1023-P1038 WeakPolarHBondContact CA-O 3.34Å; T1023-P1038 HydrophobicContact CG2-CG 3.89Å; T1023-P1038 WeakPolarHBondContact CG2-O 3.43Å; D1024-P1038 PolarHBondContact N-O 2.72Å; A1027-P1038 HydrophobicContact CB-CB 3.74Å; A1027-P1038 HydrophobicContact CB-CG 4.02Å | ||
| 1039 | C | 86.4 | Confident | 83.8 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 30% | 0.297 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -79.4 | 144.3 | -174.9 | -53.9 | 0 | 0 | 0 | 0 | 113.1 | G1022 Q1036 C1037 V1043 C1048 | G1022-C1039 CarbonylContact O-C 3.27Å; G1022-C1039 WeakPolarHBondContact O-CA 3.48Å; Q1036-C1039 PolarHBondContact NE2-SG 2.96Å; C1037-C1039 PolarHBondContact O-N 3.37Å; C1037-C1039 PolarHBondContact O-SG 2.92Å; C1039-V1043 HydrophobicContact CB-CB 4.2Å; C1039-V1043 HydrophobicContact CB-CG1 4.47Å; C1039-C1048 WeakPolarHBondContact CA-SG 3.15Å; C1039-C1048 HydrophobicContact CB-CB 3.74Å; C1039-C1048 WeakPolarHBondContact CB-SG 3.15Å; C1039-C1048 PolarHBondContact N-SG 2.8Å; C1039-C1048 VanDerWaalsContact N-SG 3.37Å; C1039-C1048 VanDerWaalsContact SG-CA 3.54Å; C1039-C1048 WeakPolarHBondContact SG-CB 3.28Å; C1039-C1048 CovalentContact SG-SG 2.04Å; C1039-C1048 PolarHBondContact SG-SG 2.98Å |
| 1040 | L | 85.6 | Confident | 84.4 | Confident | 26 Ų | 26 | 51.3 Ų | 51.3 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 159.4 | 168.4 | -68.7 | 168.5 | 0 | 0 | 0 | 110.9 | G1022 D1024 N1042 V1043 G1061 | G1022-L1040 PolarHBondContact O-N 2.72Å; D1024-L1040 HydrophobicContact CB-CD2 3.95Å; L1040-N1042 PolarHBondContact O-N 3.43Å; L1040-V1043 HydrophobicContact CB-CG2 4.16Å; L1040-V1043 WeakPolarHBondContact O-CB 3.3Å; L1040-V1043 PolarHBondContact O-N 3.26Å; L1040-V1043 VanDerWaalsContact O-N 3.08Å; L1040-G1061 WeakPolarHBondContact CD1-O 3.24Å |
| 1041 | P | 85.4 | Confident | 84.5 | Confident | 87 Ų | 87 | 51.4 Ų | 51.4 | 57% | 0.565 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 134.6 | -178.2 | -28.8 | 36.3 | 0 | 0 | 0 | 113.5 | V1043 G1063 C1064 | P1041-V1043 PolarHBondContact O-N 2.03Å; P1041-G1063 CarbonylContact O-C 3.53Å; P1041-G1063 WeakPolarHBondContact O-CA 3.33Å; P1041-C1064 PolarHBondContact O-N 3.23Å |
| 1042 | N | 86.9 | Confident | 84.7 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 14.9 | -178.4 | -50 | -43.7 | 0 | 0 | 0 | 116 | L1040 I1052 C1064 | L1040-N1042 PolarHBondContact O-N 3.43Å; N1042-I1052 HydrophobicContact CB-CD1 3.86Å; N1042-I1052 HydrophobicContact CB-CG1 4.01Å; N1042-I1052 PolarHBondContact O-N 3.2Å; N1042-C1064 HydrophobicContact CB-CB 3.96Å; N1042-C1064 WeakPolarHBondContact CB-O 3.37Å; N1042-C1064 PolarHBondContact ND2-O 3.02Å |
| 1043 | V | 87.9 | Confident | 84.8 | Confident | 10 Ų | 10 | 49 Ų | 49 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 142.3 | 169 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | C1039 L1040 P1041 C1048 T1050 I1058 | C1039-V1043 HydrophobicContact CB-CB 4.2Å; C1039-V1043 HydrophobicContact CB-CG1 4.47Å; L1040-V1043 HydrophobicContact CB-CG2 4.16Å; L1040-V1043 WeakPolarHBondContact O-CB 3.3Å; L1040-V1043 PolarHBondContact O-N 3.26Å; L1040-V1043 VanDerWaalsContact O-N 3.08Å; P1041-V1043 PolarHBondContact O-N 2.03Å; V1043-C1048 VanDerWaalsContact CG1-C 3.48Å; V1043-C1048 HydrophobicContact CG1-CB 3.87Å; V1043-C1048 VanDerWaalsContact CG1-O 3.31Å; V1043-C1048 WeakPolarHBondContact CG1-O 3.35Å; V1043-T1050 WeakPolarHBondContact CA-O 3.4Å; V1043-T1050 WeakPolarHBondContact CG1-O 3.27Å; V1043-I1058 HydrophobicContact CG1-CD1 4.16Å; V1043-I1058 HydrophobicContact CG2-CG1 4.5Å |
| 1044 | V | 85.9 | Confident | 85.1 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 177.1 | 177.5 | -76.4 | 0 | 0 | 0 | 0 | 111.4 | C1048 D1049 T1050 I1052 | V1044-C1048 CarbonylContact O-C 3.25Å; V1044-C1048 WeakPolarHBondContact O-CA 3.17Å; V1044-D1049 PolarHBondContact O-N 2.6Å; V1044-T1050 PolarHBondContact N-O 2.67Å; V1044-T1050 PolarHBondContact O-N 2.97Å; V1044-T1050 VanDerWaalsContact O-N 3.17Å; V1044-T1050 PolarHBondContact O-OG1 3.4Å; V1044-I1052 HydrophobicContact CB-CG2 4.15Å; V1044-I1052 HydrophobicContact CG1-CG2 3.4Å; V1044-I1052 VanDerWaalsContact CG1-CG2 3.4Å; V1044-I1052 HydrophobicContact CG2-CB 4.49Å; V1044-I1052 HydrophobicContact CG2-CG2 3.7Å |
| 1045 | G | 80.5 | Confident | 85.5 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 102.3 | 152.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1036 E1047 C1048 | Q1036-G1045 PolarHBondContact NE2-O 2.99Å; G1045-E1047 PolarHBondContact O-N 3.18Å; G1045-C1048 PolarHBondContact O-N 2.72Å |
| 1046 | L | 80.6 | Confident | 85.8 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -36.8 | 177.3 | -166.5 | 77.1 | 0 | 0 | 0 | 110.8 | Q1036 C1037 | Q1036-L1046 HydrophobicContact CB-CD1 4.43Å; C1037-L1046 WeakPolarHBondContact CB-O 3.4Å; C1037-L1046 PolarHBondContact N-O 2.64Å; C1037-L1046 PolarHBondContact SG-O 2.96Å; C1037-L1046 VanDerWaalsContact SG-O 3.4Å |
| 1047 | E | 86 | Confident | 85.8 | Confident | 81 Ų | 81 | 46.9 Ų | 46.9 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 1.9 | 177.3 | -45.3 | -163.7 | 169.9 | 0 | 0 | 113 | V1017 N1019 G1045 D1049 | V1017-E1047 HydrophobicContact CB-CG 4.39Å; V1017-E1047 HydrophobicContact CG1-CG 4.48Å; V1017-E1047 WeakPolarHBondContact CG1-OE2 3.46Å; V1017-E1047 WeakPolarHBondContact O-CA 3.33Å; V1017-E1047 VanDerWaalsContact O-CB 3.3Å; V1017-E1047 WeakPolarHBondContact O-CB 3.37Å; V1017-E1047 VanDerWaalsContact O-CG 3.28Å; V1017-E1047 WeakPolarHBondContact O-CG 3.4Å; N1019-E1047 VanDerWaalsContact CB-O 3.24Å; N1019-E1047 WeakPolarHBondContact CB-O 3.45Å; N1019-E1047 PolarHBondContact N-O 3.41Å; G1045-E1047 PolarHBondContact O-N 3.18Å; E1047-D1049 HydrophobicContact CB-CB 4.34Å |
| 1048 | C | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 54.8 | 49.3 | -171.6 | -50.1 | 0 | 0 | 0 | 0 | 113.5 | G1022 C1037 C1039 V1043 V1044 G1045 | G1022-C1048 WeakPolarHBondContact CA-O 3.42Å; G1022-C1048 WeakPolarHBondContact O-CB 3.32Å; C1037-C1048 VanDerWaalsContact CB-SG 3.53Å; C1037-C1048 PolarHBondContact O-SG 3.4Å; C1039-C1048 WeakPolarHBondContact CA-SG 3.15Å; C1039-C1048 HydrophobicContact CB-CB 3.74Å; C1039-C1048 WeakPolarHBondContact CB-SG 3.15Å; C1039-C1048 PolarHBondContact N-SG 2.8Å; C1039-C1048 VanDerWaalsContact N-SG 3.37Å; C1039-C1048 VanDerWaalsContact SG-CA 3.54Å; C1039-C1048 WeakPolarHBondContact SG-CB 3.28Å; C1039-C1048 CovalentContact SG-SG 2.04Å; C1039-C1048 PolarHBondContact SG-SG 2.98Å; V1043-C1048 VanDerWaalsContact CG1-C 3.48Å; V1043-C1048 HydrophobicContact CG1-CB 3.87Å; V1043-C1048 VanDerWaalsContact CG1-O 3.31Å; V1043-C1048 WeakPolarHBondContact CG1-O 3.35Å; V1044-C1048 CarbonylContact O-C 3.25Å; V1044-C1048 WeakPolarHBondContact O-CA 3.17Å; G1045-C1048 PolarHBondContact O-N 2.72Å |
| 1049 | D | 86.1 | Confident | 85.3 | Confident | 71 Ų | 71 | 48.1 Ų | 48.1 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | trans | -106.9 | -8.7 | -168.1 | 65.9 | -41.1 | 0 | 0 | 0 | 115.1 | N1019 V1044 E1047 I1058 | N1019-D1049 HydrophobicContact CB-CB 4.12Å; V1044-D1049 PolarHBondContact O-N 2.6Å; E1047-D1049 HydrophobicContact CB-CB 4.34Å; D1049-I1058 WeakPolarHBondContact O-CD1 3.24Å | ||
| 1050 | T | 86.9 | Confident | 84.8 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.3 | -176.3 | 43.9 | 0 | 0 | 0 | 0 | 112 | V1043 V1044 | V1043-T1050 WeakPolarHBondContact CA-O 3.4Å; V1043-T1050 WeakPolarHBondContact CG1-O 3.27Å; V1044-T1050 PolarHBondContact N-O 2.67Å; V1044-T1050 PolarHBondContact O-N 2.97Å; V1044-T1050 VanDerWaalsContact O-N 3.17Å; V1044-T1050 PolarHBondContact O-OG1 3.4Å |
| 1051 | C | 85.4 | Confident | 84.2 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 151 | 167.4 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | H1055 C1064 E1090 | C1051-H1055 HydrophobicContact CB-CB 4.08Å; C1051-C1064 WeakPolarHBondContact CA-SG 3.45Å; C1051-C1064 HydrophobicContact CB-CB 3.74Å; C1051-C1064 WeakPolarHBondContact CB-SG 3.44Å; C1051-C1064 WeakPolarHBondContact SG-CB 3.28Å; C1051-C1064 CovalentContact SG-SG 2.04Å; C1051-C1064 PolarHBondContact SG-SG 2.89Å; C1051-E1090 HydrophobicContact CB-CG 4.46Å |
| 1052 | I | 85.9 | Confident | 83.9 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 157.5 | 164.9 | 64.8 | 179.9 | 0 | 0 | 0 | 110.6 | N1042 V1044 N1054 H1055 | N1042-I1052 HydrophobicContact CB-CD1 3.86Å; N1042-I1052 HydrophobicContact CB-CG1 4.01Å; N1042-I1052 PolarHBondContact O-N 3.2Å; V1044-I1052 HydrophobicContact CB-CG2 4.15Å; V1044-I1052 HydrophobicContact CG1-CG2 3.4Å; V1044-I1052 VanDerWaalsContact CG1-CG2 3.4Å; V1044-I1052 HydrophobicContact CG2-CB 4.49Å; V1044-I1052 HydrophobicContact CG2-CG2 3.7Å; I1052-N1054 PolarHBondContact O-N 3.35Å; I1052-H1055 HydrophobicContact CG1-CB 4.16Å; I1052-H1055 WeakPolarHBondContact CG1-ND1 3.07Å; I1052-H1055 WeakPolarHBondContact O-CB 2.95Å; I1052-H1055 PolarHBondContact O-N 2.67Å; I1052-H1055 VanDerWaalsContact O-N 3.12Å |
| 1053 | A | 82.7 | Confident | 83.6 | Confident | 71 Ų | 71 | 45.8 Ų | 45.8 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 141 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1055 | A1053-H1055 VanDerWaalsContact C-N 3.29Å; A1053-H1055 PolarHBondContact O-N 3.36Å; A1053-H1055 PolarHBondContact O-ND1 2.83Å |
| 1054 | N | 84.1 | Confident | 83.6 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 30.3 | -174.7 | -46.6 | -65.4 | 0 | 0 | 0 | 114.7 | I1052 C1067 M1086 Q1087 | I1052-N1054 PolarHBondContact O-N 3.35Å; N1054-C1067 VanDerWaalsContact O-CB 3.31Å; N1054-C1067 WeakPolarHBondContact O-CB 3.45Å; N1054-C1067 PolarHBondContact O-N 3.43Å; N1054-C1067 PolarHBondContact O-SG 2.01Å; N1054-C1067 VanDerWaalsContact O-SG 3.39Å; N1054-M1086 VanDerWaalsContact OD1-CB 3.23Å; N1054-M1086 WeakPolarHBondContact OD1-CB 2.96Å; N1054-M1086 PolarHBondContact OD1-O 3.44Å; N1054-Q1087 PolarHBondContact OD1-N 3.19Å |
| 1055 | H | 88.8 | Confident | 83.6 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 162 | 171.2 | -66 | 62.9 | 0 | 0 | 0 | 112.4 | C1051 I1052 A1053 C1064 E1065 | C1051-H1055 HydrophobicContact CB-CB 4.08Å; I1052-H1055 HydrophobicContact CG1-CB 4.16Å; I1052-H1055 WeakPolarHBondContact CG1-ND1 3.07Å; I1052-H1055 WeakPolarHBondContact O-CB 2.95Å; I1052-H1055 PolarHBondContact O-N 2.67Å; I1052-H1055 VanDerWaalsContact O-N 3.12Å; A1053-H1055 VanDerWaalsContact C-N 3.29Å; A1053-H1055 PolarHBondContact O-N 3.36Å; A1053-H1055 PolarHBondContact O-ND1 2.83Å; H1055-C1064 HydrophobicContact CB-CB 3.86Å; H1055-E1065 CarbonylContact C-O 3.41Å; H1055-E1065 WeakPolarHBondContact CA-O 3.24Å; H1055-E1065 WeakPolarHBondContact CB-O 3.5Å; H1055-E1065 VanDerWaalsContact CD2-C 3.49Å |
| 1056 | W | 89.8 | Confident | 83.8 | Confident | 35 Ų | 35 | 48 Ų | 48 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | -173.5 | -178.6 | 70.2 | -68.5 | 0 | 0 | 0 | 111.3 | C1064 E1065 P1066 N1089 E1090 G1093 | W1056-C1064 CarbonylContact O-C 3.33Å; W1056-C1064 WeakPolarHBondContact O-CA 3.48Å; W1056-C1064 WeakPolarHBondContact O-CB 3.3Å; W1056-E1065 PolarHBondContact N-O 3.24Å; W1056-E1065 PolarHBondContact O-N 3.49Å; W1056-P1066 PolarHBondContact NE1-O 2.86Å; W1056-N1089 WeakPolarHBondContact CB-O 3.45Å; W1056-E1090 CarbonylContact C-O 3.54Å; W1056-E1090 WeakPolarHBondContact CA-O 3.32Å; W1056-G1093 VanDerWaalsContact CG-CA 3.42Å |
| 1057 | K | 84.6 | Confident | 84.1 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | trans | 78.9 | 24.6 | 172.1 | -146.8 | -171.9 | -178.5 | 175.9 | 0 | 115.2 | A1059 S1060 E1065 E1090 | K1057-A1059 PolarHBondContact O-N 3.34Å; K1057-A1059 VanDerWaalsContact O-N 3.1Å; K1057-S1060 VanDerWaalsContact O-CB 3.25Å; K1057-S1060 WeakPolarHBondContact O-CB 3.3Å; K1057-S1060 PolarHBondContact O-N 3Å; K1057-S1060 PolarHBondContact O-OG 2.72Å; K1057-E1065 HydrophobicContact CD-CB 4.39Å; K1057-E1065 HydrophobicContact CD-CG 4.06Å; K1057-E1065 WeakPolarHBondContact CD-OE2 3.41Å; K1057-E1065 IonicContact NZ-OE1 3.86Å; K1057-E1065 PolarHBondContact NZ-OE1 3.04Å; K1057-E1065 IonicContact NZ-OE2 2.72Å; K1057-E1065 PolarHBondContact NZ-OE2 3Å; K1057-E1090 PolarHBondContact N-O 2.99Å | ||
| 1058 | I | 83.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -53.9 | -32.9 | 176.8 | -165.3 | 167.1 | 0 | 0 | 0 | 113 | L1021 V1043 D1049 S1060 G1061 F1091 | L1021-I1058 HydrophobicContact CB-CG1 4.41Å; L1021-I1058 VanDerWaalsContact O-O 3.13Å; V1043-I1058 HydrophobicContact CG1-CD1 4.16Å; V1043-I1058 HydrophobicContact CG2-CG1 4.5Å; D1049-I1058 WeakPolarHBondContact O-CD1 3.24Å; I1058-S1060 PolarHBondContact O-N 3.47Å; I1058-G1061 PolarHBondContact O-N 3.46Å; I1058-F1091 HydrophobicContact CG2-CD1 4.15Å; I1058-F1091 HydrophobicContact CG2-CE1 3.91Å |
| 1059 | A | 80.4 | Confident | 84 | Confident | 59 Ų | 59 | 47.6 Ų | 47.6 | 49% | 0.488 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -68.4 | 0.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1057 F1091 | K1057-A1059 PolarHBondContact O-N 3.34Å; K1057-A1059 VanDerWaalsContact O-N 3.1Å; A1059-F1091 HydrophobicContact CB-CD1 4.36Å |
| 1060 | S | 76.1 | Confident | 83.8 | Confident | 55 Ų | 55 | 45 Ų | 45 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -72.4 | -25.8 | 175.3 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | K1057 I1058 A1062 G1063 | K1057-S1060 VanDerWaalsContact O-CB 3.25Å; K1057-S1060 WeakPolarHBondContact O-CB 3.3Å; K1057-S1060 PolarHBondContact O-N 3Å; K1057-S1060 PolarHBondContact O-OG 2.72Å; I1058-S1060 PolarHBondContact O-N 3.47Å; S1060-A1062 PolarHBondContact O-N 2.81Å; S1060-A1062 PolarHBondContact OG-N 2.76Å; S1060-A1062 VanDerWaalsContact OG-N 3.08Å; S1060-G1063 PolarHBondContact OG-O 2.72Å |
| 1061 | G | 71.9 | Confident | 83.6 | Confident | 43 Ų | 43 | 46 Ų | 46 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 68.8 | 13.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1040 I1058 | L1040-G1061 WeakPolarHBondContact CD1-O 3.24Å; I1058-G1061 PolarHBondContact O-N 3.46Å |
| 1062 | A | 79.2 | Confident | 83.4 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 60% | 0.595 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -121.8 | -1.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1060 | S1060-A1062 PolarHBondContact O-N 2.81Å; S1060-A1062 PolarHBondContact OG-N 2.76Å; S1060-A1062 VanDerWaalsContact OG-N 3.08Å |
| 1063 | G | 81 | Confident | 83.1 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | trans | 110.7 | -176.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113 | P1041 S1060 | P1041-G1063 CarbonylContact O-C 3.53Å; P1041-G1063 WeakPolarHBondContact O-CA 3.33Å; S1060-G1063 PolarHBondContact OG-O 2.72Å | ||
| 1064 | C | 88.8 | Confident | 83.3 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | trans | -101.3 | 144 | 178.5 | -61 | 0 | 0 | 0 | 0 | 112.8 | P1041 N1042 C1051 H1055 W1056 | P1041-C1064 PolarHBondContact O-N 3.23Å; N1042-C1064 HydrophobicContact CB-CB 3.96Å; N1042-C1064 WeakPolarHBondContact CB-O 3.37Å; N1042-C1064 PolarHBondContact ND2-O 3.02Å; C1051-C1064 WeakPolarHBondContact CA-SG 3.45Å; C1051-C1064 HydrophobicContact CB-CB 3.74Å; C1051-C1064 WeakPolarHBondContact CB-SG 3.44Å; C1051-C1064 WeakPolarHBondContact SG-CB 3.28Å; C1051-C1064 CovalentContact SG-SG 2.04Å; C1051-C1064 PolarHBondContact SG-SG 2.89Å; H1055-C1064 HydrophobicContact CB-CB 3.86Å; W1056-C1064 CarbonylContact O-C 3.33Å; W1056-C1064 WeakPolarHBondContact O-CA 3.48Å; W1056-C1064 WeakPolarHBondContact O-CB 3.3Å | ||
| 1065 | E | 84.9 | Confident | 83.4 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 151.4 | 177.2 | -74.4 | 174.3 | -168.1 | 0 | 0 | 111.1 | H1055 W1056 K1057 | H1055-E1065 CarbonylContact C-O 3.41Å; H1055-E1065 WeakPolarHBondContact CA-O 3.24Å; H1055-E1065 WeakPolarHBondContact CB-O 3.5Å; H1055-E1065 VanDerWaalsContact CD2-C 3.49Å; W1056-E1065 PolarHBondContact N-O 3.24Å; W1056-E1065 PolarHBondContact O-N 3.49Å; K1057-E1065 HydrophobicContact CD-CB 4.39Å; K1057-E1065 HydrophobicContact CD-CG 4.06Å; K1057-E1065 WeakPolarHBondContact CD-OE2 3.41Å; K1057-E1065 IonicContact NZ-OE1 3.86Å; K1057-E1065 PolarHBondContact NZ-OE1 3.04Å; K1057-E1065 IonicContact NZ-OE2 2.72Å; K1057-E1065 PolarHBondContact NZ-OE2 3Å |
| 1066 | P | 85.9 | Confident | 83.1 | Confident | 60 Ų | 60 | 45.5 Ų | 45.5 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 142.9 | 179 | -22.7 | 31.7 | 0 | 0 | 0 | 114.3 | W1056 Q1068 R1104 | W1056-P1066 PolarHBondContact NE1-O 2.86Å; P1066-Q1068 HydrophobicContact CB-CG 4.18Å; P1066-Q1068 PolarHBondContact O-N 3.37Å; P1066-R1104 PolarHBondContact O-NH2 3.36Å |
| 1067 | C | 85.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -63.2 | -40.5 | 179.5 | -77.9 | 0 | 0 | 0 | 0 | 113.2 | N1054 C1069 C1088 R1104 | N1054-C1067 VanDerWaalsContact O-CB 3.31Å; N1054-C1067 WeakPolarHBondContact O-CB 3.45Å; N1054-C1067 PolarHBondContact O-N 3.43Å; N1054-C1067 PolarHBondContact O-SG 2.01Å; N1054-C1067 VanDerWaalsContact O-SG 3.39Å; C1067-C1069 VanDerWaalsContact C-N 3.31Å; C1067-C1069 PolarHBondContact O-N 3.45Å; C1067-C1088 VanDerWaalsContact CA-SG 3.51Å; C1067-C1088 HydrophobicContact CB-CB 3.74Å; C1067-C1088 WeakPolarHBondContact CB-SG 3.46Å; C1067-C1088 WeakPolarHBondContact SG-CB 3.38Å; C1067-C1088 PolarHBondContact SG-N 3.15Å; C1067-C1088 CovalentContact SG-SG 2.03Å; C1067-C1088 PolarHBondContact SG-SG 3.48Å; C1067-R1104 PolarHBondContact O-NH1 2.93Å; C1067-R1104 PolarHBondContact O-NH2 3.11Å; C1067-R1104 VanDerWaalsContact O-NH2 3.17Å | ||
| 1068 | Q | 85.1 | Confident | 81.8 | Confident | 142 Ų | 142 | 47.7 Ų | 47.7 | 66% | 0.664 | 30% | 0.297 | S | S | * | . | trans | 58.1 | 30.5 | 179.2 | -58.7 | 176.4 | -19.6 | 0 | 0 | 115.6 | P1066 T1105 | P1066-Q1068 HydrophobicContact CB-CG 4.18Å; P1066-Q1068 PolarHBondContact O-N 3.37Å; Q1068-T1105 HydrophobicContact CB-CG2 4.01Å; Q1068-T1105 VanDerWaalsContact O-CB 3.3Å; Q1068-T1105 WeakPolarHBondContact O-CB 3.46Å; Q1068-T1105 WeakPolarHBondContact O-CG2 3.39Å | ||
| 1069 | C | 86.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | trans | -60.2 | 138.3 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | C1067 P1071 V1074 M1086 C1095 T1105 | C1067-C1069 VanDerWaalsContact C-N 3.31Å; C1067-C1069 PolarHBondContact O-N 3.45Å; C1069-P1071 WeakPolarHBondContact O-CD 3.4Å; C1069-V1074 HydrophobicContact CB-CG1 3.69Å; C1069-M1086 HydrophobicContact CB-CE 4.26Å; C1069-M1086 HydrophobicContact CB-SD 4.28Å; C1069-M1086 WeakPolarHBondContact O-CE 3.04Å; C1069-M1086 PolarHBondContact SG-O 3.26Å; C1069-C1095 WeakPolarHBondContact CA-SG 3.36Å; C1069-C1095 HydrophobicContact CB-CB 3.8Å; C1069-C1095 WeakPolarHBondContact CB-SG 3.38Å; C1069-C1095 WeakPolarHBondContact SG-CB 3.49Å; C1069-C1095 CovalentContact SG-SG 2.03Å; C1069-C1095 PolarHBondContact SG-SG 3.46Å; C1069-T1105 CarbonylContact C-O 3.49Å; C1069-T1105 WeakPolarHBondContact CA-O 3.39Å | ||
| 1070 | D | 82.6 | Confident | 81.1 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | trans | -73.3 | 114.8 | 169.4 | -178.2 | -26.4 | 0 | 0 | 0 | 109 | T1072 G1073 V1074 T1105 R1118 | D1070-T1072 VanDerWaalsContact CG-OG1 3.25Å; D1070-T1072 PolarHBondContact O-N 2.88Å; D1070-T1072 VanDerWaalsContact O-N 3.09Å; D1070-T1072 WeakPolarHBondContact OD1-CA 3.43Å; D1070-T1072 WeakPolarHBondContact OD1-CB 3.34Å; D1070-T1072 PolarHBondContact OD1-N 3.08Å; D1070-T1072 PolarHBondContact OD1-OG1 2.63Å; D1070-T1072 PolarHBondContact OD2-OG1 3.46Å; D1070-G1073 PolarHBondContact O-N 3.13Å; D1070-V1074 PolarHBondContact O-N 3.33Å; D1070-V1074 VanDerWaalsContact O-N 3.1Å; D1070-T1105 PolarHBondContact N-O 3.11Å; D1070-R1118 IonicContact OD1-NH2 2.78Å; D1070-R1118 IonicContact OD2-CZ 3.73Å; D1070-R1118 IonicContact OD2-NE 3.81Å; D1070-R1118 IonicContact OD2-NH2 3.7Å; D1070-R1118 PolarHBondContact OD2-NH2 3.4Å | ||
| 1071 | P | 81.6 | Confident | 80.7 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.4 | -177.2 | 25.8 | -34.4 | 0 | 0 | 0 | 113.3 | C1069 P1084 M1086 | C1069-P1071 WeakPolarHBondContact O-CD 3.4Å; P1071-P1084 HydrophobicContact CB-CB 4.1Å; P1071-P1084 HydrophobicContact CB-CG 3.8Å; P1071-M1086 HydrophobicContact CB-CE 4.29Å; P1071-M1086 HydrophobicContact CB-SD 3.98Å |
| 1072 | T | 81.8 | Confident | 80.7 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -30.7 | 173.1 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | D1070 K1098 R1101 | D1070-T1072 VanDerWaalsContact CG-OG1 3.25Å; D1070-T1072 PolarHBondContact O-N 2.88Å; D1070-T1072 VanDerWaalsContact O-N 3.09Å; D1070-T1072 WeakPolarHBondContact OD1-CA 3.43Å; D1070-T1072 WeakPolarHBondContact OD1-CB 3.34Å; D1070-T1072 PolarHBondContact OD1-N 3.08Å; D1070-T1072 PolarHBondContact OD1-OG1 2.63Å; D1070-T1072 PolarHBondContact OD2-OG1 3.46Å; T1072-K1098 PolarHBondContact O-NZ 2.8Å; T1072-R1101 PolarHBondContact OG1-NH2 3.46Å |
| 1073 | G | 80.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -26 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1070 K1098 | D1070-G1073 PolarHBondContact O-N 3.13Å; G1073-K1098 WeakPolarHBondContact O-CB 3.34Å; G1073-K1098 PolarHBondContact O-N 3.3Å |
| 1074 | V | 86.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -76.3 | 157.6 | 175.7 | -65.2 | 0 | 0 | 0 | 0 | 113.4 | C1069 D1070 P1084 M1086 C1095 P1096 K1098 C1106 | C1069-V1074 HydrophobicContact CB-CG1 3.69Å; D1070-V1074 PolarHBondContact O-N 3.33Å; D1070-V1074 VanDerWaalsContact O-N 3.1Å; V1074-P1084 HydrophobicContact CG2-CB 3.45Å; V1074-P1084 VanDerWaalsContact CG2-CB 3.45Å; V1074-M1086 HydrophobicContact CG2-SD 4.34Å; V1074-C1095 HydrophobicContact CG1-CB 3.82Å; V1074-P1096 CarbonylContact C-O 3.42Å; V1074-P1096 VanDerWaalsContact CA-O 3.31Å; V1074-P1096 WeakPolarHBondContact CA-O 3.34Å; V1074-K1098 WeakPolarHBondContact O-CD 3.39Å; V1074-K1098 WeakPolarHBondContact O-CE 3.27Å; V1074-K1098 WeakPolarHBondContact O-CG 3.12Å; V1074-K1098 PolarHBondContact O-NZ 3.5Å; V1074-C1106 HydrophobicContact CG1-CB 4.11Å |
| 1075 | Q | 85.4 | Confident | 80 | Confident | 91 Ų | 91 | 71.5 Ų | 71.5 | 43% | 0.425 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -63 | 150.5 | 168.8 | -65.5 | 172.7 | 25.3 | 0 | 0 | 110.7 | R1085 P1096 C1097 K1098 | Q1075-R1085 PolarHBondContact O-N 3.45Å; Q1075-P1096 WeakPolarHBondContact CG-O 3.14Å; Q1075-P1096 PolarHBondContact N-O 2.79Å; Q1075-C1097 PolarHBondContact NE2-O 2.71Å; Q1075-K1098 HydrophobicContact CG-CG 4.43Å |
| 1076 | T | 83.3 | Confident | 80 | Confident | 67 Ų | 67 | 70.6 Ų | 70.6 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 155.6 | 172.1 | 47 | 0 | 0 | 0 | 0 | 110.6 | E1081 S1083 | T1076-E1081 WeakPolarHBondContact CG2-O 3.42Å; T1076-S1083 CarbonylContact C-O 3.53Å; T1076-S1083 WeakPolarHBondContact CA-O 2.93Å |
| 1077 | D | 72.1 | Confident | 80 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.4 | 176.9 | -158.9 | -63.5 | 0 | 0 | 0 | 110.1 | D1079 N1080 S1083 R1085 | D1077-D1079 PolarHBondContact O-N 2.77Å; D1077-D1079 PolarHBondContact OD1-N 3.15Å; D1077-N1080 HydrophobicContact CB-CB 4.46Å; D1077-N1080 CarbonylContact O-C 3.5Å; D1077-N1080 PolarHBondContact O-N 3.38Å; D1077-N1080 VanDerWaalsContact O-N 3.11Å; D1077-S1083 PolarHBondContact N-O 2.65Å; D1077-R1085 HydrophobicContact CB-CG 4.07Å |
| 1078 | P | 75 | Confident | 80 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.7 | 177.2 | 25.4 | -35.8 | 0 | 0 | 0 | 113.4 | ||
| 1079 | D | 74.8 | Confident | 80 | Confident | 157 Ų | 157 | 68 Ų | 68 | 84% | 0.84 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -12 | 177.4 | -65.5 | -38.5 | 0 | 0 | 0 | 112.6 | D1077 | D1077-D1079 PolarHBondContact O-N 2.77Å; D1077-D1079 PolarHBondContact OD1-N 3.15Å |
| 1080 | N | 73.6 | Confident | 79.7 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 98.2 | 176.9 | -176.3 | -7.1 | 0 | 0 | 0 | 112.3 | D1077 Q1082 S1083 | D1077-N1080 HydrophobicContact CB-CB 4.46Å; D1077-N1080 CarbonylContact O-C 3.5Å; D1077-N1080 PolarHBondContact O-N 3.38Å; D1077-N1080 VanDerWaalsContact O-N 3.11Å; N1080-Q1082 PolarHBondContact O-N 2.84Å; N1080-Q1082 PolarHBondContact OD1-N 3.18Å; N1080-Q1082 VanDerWaalsContact OD1-N 3.07Å; N1080-S1083 PolarHBondContact ND2-OG 3.34Å; N1080-S1083 PolarHBondContact O-N 3.48Å |
| 1081 | E | 68.9 | Low | 79.6 | Confident | 153 Ų | 153 | 76 Ų | 76 | 72% | 0.715 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.1 | -16.7 | -179.6 | -68.9 | -171.4 | 147.2 | 0 | 0 | 114.9 | T1076 | T1076-E1081 WeakPolarHBondContact CG2-O 3.42Å |
| 1082 | Q | 70.9 | Confident | 79.5 | Confident | 162 Ų | 162 | 76.4 Ų | 76.4 | 76% | 0.757 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -15.6 | 175.1 | -71.2 | 87.6 | 71.6 | 0 | 0 | 113.9 | N1080 | N1080-Q1082 PolarHBondContact O-N 2.84Å; N1080-Q1082 PolarHBondContact OD1-N 3.18Å; N1080-Q1082 VanDerWaalsContact OD1-N 3.07Å |
| 1083 | S | 70.8 | Confident | 79.5 | Confident | 49 Ų | 49 | 73.1 Ų | 73.1 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.2 | -179.2 | -82.5 | 0 | 0 | 0 | 0 | 112.1 | T1076 D1077 N1080 | T1076-S1083 CarbonylContact C-O 3.53Å; T1076-S1083 WeakPolarHBondContact CA-O 2.93Å; D1077-S1083 PolarHBondContact N-O 2.65Å; N1080-S1083 PolarHBondContact ND2-OG 3.34Å; N1080-S1083 PolarHBondContact O-N 3.48Å |
| 1084 | P | 79.8 | Confident | 79.8 | Confident | 45 Ų | 45 | 77.5 Ų | 77.5 | 29% | 0.292 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 139.8 | 168.9 | 28.6 | -31.8 | 0 | 0 | 0 | 111.5 | P1071 V1074 M1086 | P1071-P1084 HydrophobicContact CB-CB 4.1Å; P1071-P1084 HydrophobicContact CB-CG 3.8Å; V1074-P1084 HydrophobicContact CG2-CB 3.45Å; V1074-P1084 VanDerWaalsContact CG2-CB 3.45Å; P1084-M1086 HydrophobicContact CB-SD 3.91Å; P1084-M1086 HydrophobicContact CG-CG 4.21Å; P1084-M1086 HydrophobicContact CG-SD 3.85Å; P1084-M1086 PolarHBondContact O-N 3.16Å |
| 1085 | R | 83.5 | Confident | 79.8 | Confident | 108 Ų | 108 | 77.8 Ų | 77.8 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | trans | -76.3 | 91.9 | 174.3 | -66.3 | -176.7 | 81.1 | -177.5 | 2 | 110.6 | Q1075 D1077 P1096 | Q1075-R1085 PolarHBondContact O-N 3.45Å; D1077-R1085 HydrophobicContact CB-CG 4.07Å; R1085-P1096 HydrophobicContact CB-CG 3.7Å | ||
| 1086 | M | 85.6 | Confident | 80 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | trans | -81.7 | -12.6 | -177.4 | -56.9 | -58.8 | -77.5 | 0 | 0 | 114.2 | N1054 C1069 P1071 V1074 P1084 C1088 | N1054-M1086 VanDerWaalsContact OD1-CB 3.23Å; N1054-M1086 WeakPolarHBondContact OD1-CB 2.96Å; N1054-M1086 PolarHBondContact OD1-O 3.44Å; C1069-M1086 HydrophobicContact CB-CE 4.26Å; C1069-M1086 HydrophobicContact CB-SD 4.28Å; C1069-M1086 WeakPolarHBondContact O-CE 3.04Å; C1069-M1086 PolarHBondContact SG-O 3.26Å; P1071-M1086 HydrophobicContact CB-CE 4.29Å; P1071-M1086 HydrophobicContact CB-SD 3.98Å; V1074-M1086 HydrophobicContact CG2-SD 4.34Å; P1084-M1086 HydrophobicContact CB-SD 3.91Å; P1084-M1086 HydrophobicContact CG-CG 4.21Å; P1084-M1086 HydrophobicContact CG-SD 3.85Å; P1084-M1086 PolarHBondContact O-N 3.16Å; M1086-C1088 PolarHBondContact O-N 2.01Å | ||
| 1087 | Q | 85.4 | Confident | 80 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 35% | 0.346 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -73 | 119.9 | 174.3 | -174.3 | 65 | 28.5 | 0 | 0 | 110.1 | N1054 | N1054-Q1087 PolarHBondContact OD1-N 3.19Š|
| 1088 | C | 86.3 | Confident | 80.6 | Confident | 6 Ų | 6 | 74.6 Ų | 74.6 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 169.4 | 170.1 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | C1067 M1086 E1090 G1093 H1094 | C1067-C1088 VanDerWaalsContact CA-SG 3.51Å; C1067-C1088 HydrophobicContact CB-CB 3.74Å; C1067-C1088 WeakPolarHBondContact CB-SG 3.46Å; C1067-C1088 WeakPolarHBondContact SG-CB 3.38Å; C1067-C1088 PolarHBondContact SG-N 3.15Å; C1067-C1088 CovalentContact SG-SG 2.03Å; C1067-C1088 PolarHBondContact SG-SG 3.48Å; M1086-C1088 PolarHBondContact O-N 2.01Å; C1088-E1090 PolarHBondContact O-N 3.27Å; C1088-G1093 VanDerWaalsContact CB-O 3.27Å; C1088-G1093 WeakPolarHBondContact CB-O 3.17Å; C1088-G1093 PolarHBondContact SG-O 3.31Å; C1088-H1094 WeakPolarHBondContact CA-O 3.27Å; C1088-H1094 WeakPolarHBondContact CB-O 3.04Å |
| 1089 | N | 84.1 | Confident | 80.8 | Confident | 70 Ų | 70 | 79.2 Ų | 79.2 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 128.8 | 174.3 | 168.9 | -7.5 | 0 | 0 | 0 | 110.7 | W1056 F1091 D1092 G1093 H1094 | W1056-N1089 WeakPolarHBondContact CB-O 3.45Å; N1089-F1091 PolarHBondContact O-N 2.95Å; N1089-F1091 VanDerWaalsContact O-N 3.13Å; N1089-F1091 PolarHBondContact OD1-N 3.23Å; N1089-D1092 WeakPolarHBondContact CB-OD1 3.47Å; N1089-D1092 PolarHBondContact ND2-OD1 2.96Å; N1089-D1092 VanDerWaalsContact ND2-OD1 3.15Å; N1089-D1092 PolarHBondContact ND2-OD2 3.01Å; N1089-G1093 WeakPolarHBondContact O-CA 3.37Å; N1089-G1093 PolarHBondContact O-N 3.15Å; N1089-H1094 PolarHBondContact N-O 3.34Å |
| 1090 | E | 80.3 | Confident | 80.9 | Confident | 60 Ų | 60 | 73.1 Ų | 73.1 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.2 | -172.2 | -66.4 | 175 | -151.3 | 0 | 0 | 114.6 | C1051 W1056 K1057 C1088 | C1051-E1090 HydrophobicContact CB-CG 4.46Å; W1056-E1090 CarbonylContact C-O 3.54Å; W1056-E1090 WeakPolarHBondContact CA-O 3.32Å; K1057-E1090 PolarHBondContact N-O 2.99Å; C1088-E1090 PolarHBondContact O-N 3.27Å |
| 1091 | F | 80.2 | Confident | 81.4 | Confident | 131 Ų | 131 | 72.1 Ų | 72.1 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -45.4 | -178.8 | -62.6 | -83.3 | 0 | 0 | 0 | 113.8 | I1058 A1059 N1089 | I1058-F1091 HydrophobicContact CG2-CD1 4.15Å; I1058-F1091 HydrophobicContact CG2-CE1 3.91Å; A1059-F1091 HydrophobicContact CB-CD1 4.36Å; N1089-F1091 PolarHBondContact O-N 2.95Å; N1089-F1091 VanDerWaalsContact O-N 3.13Å; N1089-F1091 PolarHBondContact OD1-N 3.23Å |
| 1092 | D | 81.1 | Confident | 81.8 | Confident | 81 Ų | 81 | 65.2 Ų | 65.2 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -7.5 | -175.1 | 66.3 | 23.6 | 0 | 0 | 0 | 114.1 | N1089 H1094 | N1089-D1092 WeakPolarHBondContact CB-OD1 3.47Å; N1089-D1092 PolarHBondContact ND2-OD1 2.96Å; N1089-D1092 VanDerWaalsContact ND2-OD1 3.15Å; N1089-D1092 PolarHBondContact ND2-OD2 3.01Å; D1092-H1094 VanDerWaalsContact C-N 3.26Å; D1092-H1094 PolarHBondContact O-N 3.47Å; D1092-H1094 WeakPolarHBondContact OD1-CB 3.23Å; D1092-H1094 PolarHBondContact OD1-N 2.87Å |
| 1093 | G | 81.8 | Confident | 82 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | 72.6 | 8.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W1056 C1088 N1089 C1095 R1104 | W1056-G1093 VanDerWaalsContact CG-CA 3.42Å; C1088-G1093 VanDerWaalsContact CB-O 3.27Å; C1088-G1093 WeakPolarHBondContact CB-O 3.17Å; C1088-G1093 PolarHBondContact SG-O 3.31Å; N1089-G1093 WeakPolarHBondContact O-CA 3.37Å; N1089-G1093 PolarHBondContact O-N 3.15Å; G1093-C1095 PolarHBondContact O-N 3.21Å; G1093-R1104 VanDerWaalsContact C-CG 3.49Å; G1093-R1104 WeakPolarHBondContact O-CG 3.43Å; G1093-R1104 PolarHBondContact O-NH1 2.94Å | ||
| 1094 | H | 86.1 | Confident | 82.5 | Confident | 93 Ų | 93 | 58 Ų | 58 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | trans | -72.6 | 127.1 | -176.2 | -116.1 | 82.3 | 0 | 0 | 0 | 112.3 | C1088 N1089 D1092 | C1088-H1094 WeakPolarHBondContact CA-O 3.27Å; C1088-H1094 WeakPolarHBondContact CB-O 3.04Å; N1089-H1094 PolarHBondContact N-O 3.34Å; D1092-H1094 VanDerWaalsContact C-N 3.26Å; D1092-H1094 PolarHBondContact O-N 3.47Å; D1092-H1094 WeakPolarHBondContact OD1-CB 3.23Å; D1092-H1094 PolarHBondContact OD1-N 2.87Å | ||
| 1095 | C | 87.6 | Confident | 82.8 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | trans | -82.3 | 152.6 | 173.2 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | C1069 V1074 G1093 C1097 R1104 C1106 | C1069-C1095 WeakPolarHBondContact CA-SG 3.36Å; C1069-C1095 HydrophobicContact CB-CB 3.8Å; C1069-C1095 WeakPolarHBondContact CB-SG 3.38Å; C1069-C1095 WeakPolarHBondContact SG-CB 3.49Å; C1069-C1095 CovalentContact SG-SG 2.03Å; C1069-C1095 PolarHBondContact SG-SG 3.46Å; V1074-C1095 HydrophobicContact CG1-CB 3.82Å; G1093-C1095 PolarHBondContact O-N 3.21Å; C1095-C1097 PolarHBondContact O-N 2.78Å; C1095-C1097 VanDerWaalsContact O-N 3.08Å; C1095-C1097 PolarHBondContact O-SG 3.08Å; C1095-C1097 VanDerWaalsContact O-SG 3.41Å; C1095-R1104 WeakPolarHBondContact CB-O 2.91Å; C1095-R1104 PolarHBondContact N-O 3.43Å; C1095-R1104 PolarHBondContact SG-O 3.33Å; C1095-C1106 WeakPolarHBondContact CB-SG 3.43Å; C1095-C1106 PolarHBondContact O-SG 3.29Å; C1095-C1106 VanDerWaalsContact O-SG 3.38Å | ||
| 1096 | P | 88 | Confident | 83 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 22% | 0.221 | 26% | 0.258 | C | S | . | . | trans | -79.1 | 90.9 | -178.9 | 30.8 | -34.6 | 0 | 0 | 0 | 111.7 | V1074 Q1075 R1085 | V1074-P1096 CarbonylContact C-O 3.42Å; V1074-P1096 VanDerWaalsContact CA-O 3.31Å; V1074-P1096 WeakPolarHBondContact CA-O 3.34Å; Q1075-P1096 WeakPolarHBondContact CG-O 3.14Å; Q1075-P1096 PolarHBondContact N-O 2.79Å; R1085-P1096 HydrophobicContact CB-CG 3.7Å | ||
| 1097 | C | 84.4 | Confident | 82.8 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 17% | 0.169 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -75.4 | 148.3 | -172.1 | -50.7 | 0 | 0 | 0 | 0 | 114.9 | Q1075 C1095 R1101 C1106 | Q1075-C1097 PolarHBondContact NE2-O 2.71Å; C1095-C1097 PolarHBondContact O-N 2.78Å; C1095-C1097 VanDerWaalsContact O-N 3.08Å; C1095-C1097 PolarHBondContact O-SG 3.08Å; C1095-C1097 VanDerWaalsContact O-SG 3.41Å; C1097-R1101 HydrophobicContact CB-CB 4.19Å; C1097-R1101 WeakPolarHBondContact CB-O 3.26Å; C1097-C1106 WeakPolarHBondContact CA-SG 3.3Å; C1097-C1106 HydrophobicContact CB-CB 3.74Å; C1097-C1106 WeakPolarHBondContact CB-SG 3.41Å; C1097-C1106 PolarHBondContact N-SG 2.77Å; C1097-C1106 WeakPolarHBondContact SG-CA 3.48Å; C1097-C1106 WeakPolarHBondContact SG-CB 3.36Å; C1097-C1106 CovalentContact SG-SG 2.04Å; C1097-C1106 PolarHBondContact SG-SG 2.73Å |
| 1098 | K | 83.5 | Confident | 82.5 | Confident | 82 Ų | 82 | 51 Ų | 51 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -68 | 154.9 | 163.6 | -72.5 | 169.8 | 173.7 | 120.4 | 0 | 110.3 | T1072 G1073 V1074 Q1075 G1100 R1101 | T1072-K1098 PolarHBondContact O-NZ 2.8Å; G1073-K1098 WeakPolarHBondContact O-CB 3.34Å; G1073-K1098 PolarHBondContact O-N 3.3Å; V1074-K1098 WeakPolarHBondContact O-CD 3.39Å; V1074-K1098 WeakPolarHBondContact O-CE 3.27Å; V1074-K1098 WeakPolarHBondContact O-CG 3.12Å; V1074-K1098 PolarHBondContact O-NZ 3.5Å; Q1075-K1098 HydrophobicContact CG-CG 4.43Å; K1098-G1100 PolarHBondContact O-N 3Å; K1098-R1101 HydrophobicContact CB-CG 4.39Å; K1098-R1101 WeakPolarHBondContact O-CA 3.43Å; K1098-R1101 WeakPolarHBondContact O-CB 3.35Å; K1098-R1101 PolarHBondContact O-N 2.92Å |
| 1099 | Q | 81.2 | Confident | 82.4 | Confident | 194 Ų | 194 | 50.8 Ų | 50.8 | 91% | 0.907 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 137.3 | 177.2 | -168.4 | 168.8 | 11.2 | 0 | 0 | 111.5 | R1101 | Q1099-R1101 PolarHBondContact O-N 3.36Š|
| 1100 | G | 76.5 | Confident | 82.3 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -20.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1098 E1110 | K1098-G1100 PolarHBondContact O-N 3Å; G1100-E1110 WeakPolarHBondContact CA-OE2 3.24Å; G1100-E1110 PolarHBondContact N-OE2 3.38Å; G1100-E1110 PolarHBondContact O-N 3.28Å |
| 1101 | R | 83.4 | Confident | 82.2 | Confident | 50 Ų | 50 | 52.4 Ų | 52.4 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 147.5 | 172.4 | -60.2 | -71.3 | -121.4 | -103.9 | -6.1 | 110 | T1072 C1097 K1098 Q1099 E1108 P1117 | T1072-R1101 PolarHBondContact OG1-NH2 3.46Å; C1097-R1101 HydrophobicContact CB-CB 4.19Å; C1097-R1101 WeakPolarHBondContact CB-O 3.26Å; K1098-R1101 HydrophobicContact CB-CG 4.39Å; K1098-R1101 WeakPolarHBondContact O-CA 3.43Å; K1098-R1101 WeakPolarHBondContact O-CB 3.35Å; K1098-R1101 PolarHBondContact O-N 2.92Å; Q1099-R1101 PolarHBondContact O-N 3.36Å; R1101-E1108 CarbonylContact C-O 3.25Å; R1101-E1108 WeakPolarHBondContact CA-O 3.3Å; R1101-P1117 PolarHBondContact NH1-O 3.04Å |
| 1102 | G | 76.5 | Confident | 82.3 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | -166.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1106 E1108 C1109 | G1102-C1106 CarbonylContact O-C 3.6Å; G1102-C1106 WeakPolarHBondContact O-CA 3.43Å; G1102-E1108 PolarHBondContact N-O 3.35Å; G1102-E1108 CarbonylContact O-C 3.42Å; G1102-E1108 WeakPolarHBondContact O-CA 3.36Å; G1102-E1108 WeakPolarHBondContact O-CB 3.34Å; G1102-E1108 PolarHBondContact O-N 3.39Å; G1102-C1109 WeakPolarHBondContact CA-O 3.34Å |
| 1103 | G | 75.1 | Confident | 82.6 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 81.4 | 162.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1105 C1106 E1108 R1138 | G1103-T1105 PolarHBondContact O-N 3.41Å; G1103-C1106 PolarHBondContact O-N 2.99Å; G1103-E1108 WeakPolarHBondContact CA-OE2 3.38Å; G1103-R1138 VanDerWaalsContact N-NH1 3.1Å |
| 1104 | R | 82.6 | Confident | 82.7 | Confident | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.211 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -38.2 | -176.1 | -170.4 | -176.9 | 77.8 | 69.9 | -6.1 | 112 | P1066 C1067 G1093 C1095 | P1066-R1104 PolarHBondContact O-NH2 3.36Å; C1067-R1104 PolarHBondContact O-NH1 2.93Å; C1067-R1104 PolarHBondContact O-NH2 3.11Å; C1067-R1104 VanDerWaalsContact O-NH2 3.17Å; G1093-R1104 VanDerWaalsContact C-CG 3.49Å; G1093-R1104 WeakPolarHBondContact O-CG 3.43Å; G1093-R1104 PolarHBondContact O-NH1 2.94Å; C1095-R1104 WeakPolarHBondContact CB-O 2.91Å; C1095-R1104 PolarHBondContact N-O 3.43Å; C1095-R1104 PolarHBondContact SG-O 3.33Å |
| 1105 | T | 85.6 | Confident | 82.4 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 13% | 0.129 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 0 | -175.4 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | Q1068 C1069 D1070 G1103 S1107 | Q1068-T1105 HydrophobicContact CB-CG2 4.01Å; Q1068-T1105 VanDerWaalsContact O-CB 3.3Å; Q1068-T1105 WeakPolarHBondContact O-CB 3.46Å; Q1068-T1105 WeakPolarHBondContact O-CG2 3.39Å; C1069-T1105 CarbonylContact C-O 3.49Å; C1069-T1105 WeakPolarHBondContact CA-O 3.39Å; D1070-T1105 PolarHBondContact N-O 3.11Å; G1103-T1105 PolarHBondContact O-N 3.41Å; T1105-S1107 PolarHBondContact O-N 2.87Å; T1105-S1107 PolarHBondContact OG1-OG 2.87Å |
| 1106 | C | 87.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 59.5 | 16.6 | -170.7 | -49.2 | 0 | 0 | 0 | 0 | 115.7 | V1074 C1095 C1097 G1102 G1103 | V1074-C1106 HydrophobicContact CG1-CB 4.11Å; C1095-C1106 WeakPolarHBondContact CB-SG 3.43Å; C1095-C1106 PolarHBondContact O-SG 3.29Å; C1095-C1106 VanDerWaalsContact O-SG 3.38Å; C1097-C1106 WeakPolarHBondContact CA-SG 3.3Å; C1097-C1106 HydrophobicContact CB-CB 3.74Å; C1097-C1106 WeakPolarHBondContact CB-SG 3.41Å; C1097-C1106 PolarHBondContact N-SG 2.77Å; C1097-C1106 WeakPolarHBondContact SG-CA 3.48Å; C1097-C1106 WeakPolarHBondContact SG-CB 3.36Å; C1097-C1106 CovalentContact SG-SG 2.04Å; C1097-C1106 PolarHBondContact SG-SG 2.73Å; G1102-C1106 CarbonylContact O-C 3.6Å; G1102-C1106 WeakPolarHBondContact O-CA 3.43Å; G1103-C1106 PolarHBondContact O-N 2.99Å |
| 1107 | S | 82.6 | Confident | 81.1 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | trans | -95.6 | 12.9 | 176.8 | 67 | 0 | 0 | 0 | 0 | 113.4 | T1105 P1117 | T1105-S1107 PolarHBondContact O-N 2.87Å; T1105-S1107 PolarHBondContact OG1-OG 2.87Å; S1107-P1117 WeakPolarHBondContact O-CG 2.98Å | ||
| 1108 | E | 79.7 | Confident | 80.6 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 177.3 | -178.6 | -51.7 | 176.8 | 155.8 | 0 | 0 | 110.2 | R1101 G1102 G1103 R1138 | R1101-E1108 CarbonylContact C-O 3.25Å; R1101-E1108 WeakPolarHBondContact CA-O 3.3Å; G1102-E1108 PolarHBondContact N-O 3.35Å; G1102-E1108 CarbonylContact O-C 3.42Å; G1102-E1108 WeakPolarHBondContact O-CA 3.36Å; G1102-E1108 WeakPolarHBondContact O-CB 3.34Å; G1102-E1108 PolarHBondContact O-N 3.39Å; G1103-E1108 WeakPolarHBondContact CA-OE2 3.38Å; E1108-R1138 WeakPolarHBondContact OE2-CD 3.32Å; E1108-R1138 IonicContact OE2-CZ 3.02Å; E1108-R1138 VanDerWaalsContact OE2-CZ 3.32Å; E1108-R1138 IonicContact OE2-NE 2.63Å; E1108-R1138 PolarHBondContact OE2-NE 3.44Å; E1108-R1138 IonicContact OE2-NH1 3.47Å; E1108-R1138 PolarHBondContact OE2-NH1 2.95Å |
| 1109 | C | 82.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 160.4 | 169.5 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | G1102 C1121 R1138 | G1102-C1109 WeakPolarHBondContact CA-O 3.34Å; C1109-C1121 VanDerWaalsContact CA-SG 3.55Å; C1109-C1121 HydrophobicContact CB-CB 3.82Å; C1109-C1121 WeakPolarHBondContact CB-SG 3.01Å; C1109-C1121 WeakPolarHBondContact SG-CB 2.94Å; C1109-C1121 CovalentContact SG-SG 2.04Å; C1109-C1121 PolarHBondContact SG-SG 2.87Å; C1109-R1138 PolarHBondContact O-NH1 3.06Å |
| 1110 | E | 82.8 | Confident | 80.1 | Confident | 66 Ų | 66 | 64 Ų | 64 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 163.2 | 170.5 | 68.4 | 179.2 | -151 | 0 | 0 | 112.9 | G1100 Y1112 Y1113 | G1100-E1110 WeakPolarHBondContact CA-OE2 3.24Å; G1100-E1110 PolarHBondContact N-OE2 3.38Å; G1100-E1110 PolarHBondContact O-N 3.28Å; E1110-Y1112 PolarHBondContact O-N 3.44Å; E1110-Y1113 HydrophobicContact CG-CD2 3.6Å; E1110-Y1113 HydrophobicContact CG-CE2 4.03Å; E1110-Y1113 HydrophobicContact CG-CG 4.23Å; E1110-Y1113 PolarHBondContact O-N 3.09Å; E1110-Y1113 VanDerWaalsContact O-N 3.11Å; E1110-Y1113 WeakPolarHBondContact OE1-CE2 3.41Å |
| 1111 | N | 77.4 | Confident | 80.3 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 141.1 | -178.6 | -68.9 | -10.4 | 0 | 0 | 0 | 111 | Y1113 R1138 | N1111-Y1113 VanDerWaalsContact C-N 3.31Å; N1111-Y1113 WeakPolarHBondContact O-CD2 3.36Å; N1111-R1138 PolarHBondContact OD1-NH2 3.4Å |
| 1112 | Y | 83.8 | Confident | 80.3 | Confident | 137 Ų | 137 | 65.3 Ų | 65.3 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 14.7 | -171.1 | -41.6 | -70.6 | 0 | 0 | 0 | 115.7 | E1110 P1123 C1124 L1134 | E1110-Y1112 PolarHBondContact O-N 3.44Å; Y1112-P1123 CarbonylContact O-C 3.59Å; Y1112-P1123 WeakPolarHBondContact O-CA 3.43Å; Y1112-C1124 WeakPolarHBondContact O-CB 3.37Å; Y1112-C1124 PolarHBondContact O-N 3.45Å; Y1112-C1124 PolarHBondContact O-SG 3.07Å; Y1112-C1124 VanDerWaalsContact O-SG 3.39Å; Y1112-L1134 HydrophobicContact CD1-CB 4Å; Y1112-L1134 HydrophobicContact CE1-CB 3.94Å |
| 1113 | Y | 86.8 | Confident | 80.6 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 31% | 0.31 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 164.2 | 171.9 | -66.3 | -106.8 | 0 | 0 | 0 | 112.8 | E1110 N1111 C1121 L1122 P1123 Q1135 | E1110-Y1113 HydrophobicContact CG-CD2 3.6Å; E1110-Y1113 HydrophobicContact CG-CE2 4.03Å; E1110-Y1113 HydrophobicContact CG-CG 4.23Å; E1110-Y1113 PolarHBondContact O-N 3.09Å; E1110-Y1113 VanDerWaalsContact O-N 3.11Å; E1110-Y1113 WeakPolarHBondContact OE1-CE2 3.41Å; N1111-Y1113 VanDerWaalsContact C-N 3.31Å; N1111-Y1113 WeakPolarHBondContact O-CD2 3.36Å; Y1113-C1121 HydrophobicContact CD1-CB 4.35Å; Y1113-C1121 WeakPolarHBondContact CD1-O 3.18Å; Y1113-L1122 CarbonylContact C-O 3.38Å; Y1113-L1122 WeakPolarHBondContact CA-O 3.14Å; Y1113-L1122 WeakPolarHBondContact CB-O 3.36Å; Y1113-L1122 VanDerWaalsContact CD1-C 3.41Å; Y1113-P1123 HydrophobicContact CD1-CB 4.06Å; Y1113-P1123 HydrophobicContact CE1-CB 3.83Å; Y1113-P1123 HydrophobicContact CE1-CG 4.31Å; Y1113-Q1135 PolarHBondContact O-NE2 3.26Å; Y1113-Q1135 VanDerWaalsContact O-NE2 3.09Å |
| 1114 | W | 84.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 158.3 | 176.1 | 71.9 | -80.5 | 0 | 0 | 0 | 111.2 | C1121 L1122 R1138 N1140 G1141 | W1114-C1121 CarbonylContact O-C 3.56Å; W1114-C1121 WeakPolarHBondContact O-CA 3.01Å; W1114-L1122 HydrophobicContact CH2-CD1 4.25Å; W1114-L1122 HydrophobicContact CZ2-CB 4.46Å; W1114-L1122 HydrophobicContact CZ2-CD1 3.85Å; W1114-L1122 PolarHBondContact N-O 2.95Å; W1114-L1122 PolarHBondContact O-N 3.07Å; W1114-R1138 CarbonylContact C-O 3.57Å; W1114-R1138 VanDerWaalsContact CA-O 3.25Å; W1114-R1138 WeakPolarHBondContact CA-O 3.38Å; W1114-R1138 WeakPolarHBondContact CB-O 3.22Å; W1114-N1140 VanDerWaalsContact CE3-CA 3.47Å; W1114-N1140 VanDerWaalsContact CZ3-C 3.49Å; W1114-G1141 VanDerWaalsContact CD2-N 3.27Å; W1114-G1141 VanDerWaalsContact CE3-N 3.31Å |
| 1115 | G | 79.7 | Confident | 81.3 | Confident | 17 Ų | 17 | 73 Ų | 73 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.2 | -174.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1117 R1138 | G1115-P1117 WeakPolarHBondContact O-CD 3.43Å; G1115-R1138 PolarHBondContact N-O 2.94Å |
| 1116 | D | 76 | Confident | 81.3 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.9 | 166.3 | -173.5 | -24.2 | 0 | 0 | 0 | 108.1 | R1118 E1119 E1120 | D1116-R1118 PolarHBondContact O-N 3.29Å; D1116-R1118 VanDerWaalsContact OD1-CB 3.29Å; D1116-R1118 WeakPolarHBondContact OD1-CB 3.26Å; D1116-R1118 PolarHBondContact OD1-N 2.6Å; D1116-E1119 HydrophobicContact CB-CB 4.39Å; D1116-E1119 PolarHBondContact O-N 3.08Å; D1116-E1120 CarbonylContact O-C 3.48Å; D1116-E1120 PolarHBondContact O-N 2.74Å |
| 1117 | P | 71.1 | Confident | 81.2 | Confident | 24 Ų | 24 | 74.5 Ų | 74.5 | 16% | 0.156 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -10 | 179.5 | 29.1 | -37.6 | 0 | 0 | 0 | 114.3 | R1101 S1107 G1115 | R1101-P1117 PolarHBondContact NH1-O 3.04Å; S1107-P1117 WeakPolarHBondContact O-CG 2.98Å; G1115-P1117 WeakPolarHBondContact O-CD 3.43Å |
| 1118 | R | 73.6 | Confident | 81.2 | Confident | 166 Ų | 166 | 76.8 Ų | 76.8 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -17.6 | 172.1 | -58.9 | -178.4 | 176.3 | -176 | -0.2 | 113.3 | D1070 D1116 | D1070-R1118 IonicContact OD1-NH2 2.78Å; D1070-R1118 IonicContact OD2-CZ 3.73Å; D1070-R1118 IonicContact OD2-NE 3.81Å; D1070-R1118 IonicContact OD2-NH2 3.7Å; D1070-R1118 PolarHBondContact OD2-NH2 3.4Å; D1116-R1118 PolarHBondContact O-N 3.29Å; D1116-R1118 VanDerWaalsContact OD1-CB 3.29Å; D1116-R1118 WeakPolarHBondContact OD1-CB 3.26Å; D1116-R1118 PolarHBondContact OD1-N 2.6Å |
| 1119 | E | 75.4 | Confident | 81.4 | Confident | 176 Ų | 176 | 79.6 Ų | 79.6 | 82% | 0.822 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | -68.3 | 176.1 | -62.1 | -158.1 | 160.3 | 0 | 0 | 112.6 | D1116 | D1116-E1119 HydrophobicContact CB-CB 4.39Å; D1116-E1119 PolarHBondContact O-N 3.08Å |
| 1120 | E | 79.3 | Confident | 81.4 | Confident | 136 Ų | 136 | 79.5 Ų | 79.5 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 137.6 | -178.1 | -171.3 | 169.9 | -155.8 | 0 | 0 | 111.8 | D1116 L1122 | D1116-E1120 CarbonylContact O-C 3.48Å; D1116-E1120 PolarHBondContact O-N 2.74Å; E1120-L1122 HydrophobicContact CG-CD2 4.36Å |
| 1121 | C | 81.1 | Confident | 81.5 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.8 | 173.5 | -71.1 | 0 | 0 | 0 | 0 | 110.4 | C1109 Y1113 W1114 | C1109-C1121 VanDerWaalsContact CA-SG 3.55Å; C1109-C1121 HydrophobicContact CB-CB 3.82Å; C1109-C1121 WeakPolarHBondContact CB-SG 3.01Å; C1109-C1121 WeakPolarHBondContact SG-CB 2.94Å; C1109-C1121 CovalentContact SG-SG 2.04Å; C1109-C1121 PolarHBondContact SG-SG 2.87Å; Y1113-C1121 HydrophobicContact CD1-CB 4.35Å; Y1113-C1121 WeakPolarHBondContact CD1-O 3.18Å; W1114-C1121 CarbonylContact O-C 3.56Å; W1114-C1121 WeakPolarHBondContact O-CA 3.01Å |
| 1122 | L | 82.1 | Confident | 81.6 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 38% | 0.377 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 142.1 | -179.6 | -64.3 | 173 | 0 | 0 | 0 | 111.6 | Y1113 W1114 E1120 | Y1113-L1122 CarbonylContact C-O 3.38Å; Y1113-L1122 WeakPolarHBondContact CA-O 3.14Å; Y1113-L1122 WeakPolarHBondContact CB-O 3.36Å; Y1113-L1122 VanDerWaalsContact CD1-C 3.41Å; W1114-L1122 HydrophobicContact CH2-CD1 4.25Å; W1114-L1122 HydrophobicContact CZ2-CB 4.46Å; W1114-L1122 HydrophobicContact CZ2-CD1 3.85Å; W1114-L1122 PolarHBondContact N-O 2.95Å; W1114-L1122 PolarHBondContact O-N 3.07Å; E1120-L1122 HydrophobicContact CG-CD2 4.36Å |
| 1123 | P | 84.5 | Confident | 81.4 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 43% | 0.429 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 142.3 | -179.2 | 27.2 | -33.9 | 0 | 0 | 0 | 112.7 | Y1112 Y1113 | Y1112-P1123 CarbonylContact O-C 3.59Å; Y1112-P1123 WeakPolarHBondContact O-CA 3.43Å; Y1113-P1123 HydrophobicContact CD1-CB 4.06Å; Y1113-P1123 HydrophobicContact CE1-CB 3.83Å; Y1113-P1123 HydrophobicContact CE1-CG 4.31Å |
| 1124 | C | 84.3 | Confident | 81.3 | Confident | 24 Ų | 24 | 71.8 Ų | 71.8 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 133.7 | 177 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | Y1112 L1134 C1136 | Y1112-C1124 WeakPolarHBondContact O-CB 3.37Å; Y1112-C1124 PolarHBondContact O-N 3.45Å; Y1112-C1124 PolarHBondContact O-SG 3.07Å; Y1112-C1124 VanDerWaalsContact O-SG 3.39Å; C1124-L1134 WeakPolarHBondContact CB-O 3.29Å; C1124-C1136 WeakPolarHBondContact CA-SG 3.48Å; C1124-C1136 HydrophobicContact CB-CB 3.63Å; C1124-C1136 WeakPolarHBondContact CB-SG 3.21Å; C1124-C1136 VanDerWaalsContact SG-CA 3.6Å; C1124-C1136 WeakPolarHBondContact SG-CB 3.36Å; C1124-C1136 PolarHBondContact SG-N 2.89Å; C1124-C1136 CovalentContact SG-SG 2.03Å; C1124-C1136 PolarHBondContact SG-SG 2.81Å |
| 1125 | Q | 87.6 | Confident | 81.3 | Confident | 138 Ų | 138 | 70 Ų | 70 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | trans | -109.1 | 35.2 | -177.4 | -60.2 | -173.7 | 8.5 | 0 | 0 | 112.9 | N1153 | Q1125-N1153 WeakPolarHBondContact O-CB 3.43Å; Q1125-N1153 VanDerWaalsContact O-CG 3.26Å | ||
| 1126 | C | 85.7 | Confident | 81.5 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 8% | 0.081 | 37% | 0.368 | C | S | . | . | trans | -67.4 | 131.8 | -177.4 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | P1128 S1131 C1143 | C1126-P1128 WeakPolarHBondContact O-CD 3.45Å; C1126-S1131 WeakPolarHBondContact CB-OG 3.34Å; C1126-C1143 WeakPolarHBondContact CA-SG 3.44Å; C1126-C1143 HydrophobicContact CB-CB 3.78Å; C1126-C1143 WeakPolarHBondContact CB-SG 3.43Å; C1126-C1143 WeakPolarHBondContact SG-CB 3.34Å; C1126-C1143 CovalentContact SG-SG 2.03Å; C1126-C1143 PolarHBondContact SG-SG 3.35Å | ||
| 1127 | N | 85.4 | Confident | 81.7 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 21% | 0.214 | 37% | 0.37 | C | S | . | . | trans | -75.7 | 119.6 | 178.4 | -168.8 | -46.6 | 0 | 0 | 0 | 110.7 | L1129 G1130 S1131 N1153 D1155 W1165 | N1127-L1129 PolarHBondContact O-N 2.71Å; N1127-L1129 PolarHBondContact OD1-N 3.25Å; N1127-L1129 VanDerWaalsContact OD1-N 3.15Å; N1127-G1130 PolarHBondContact O-N 3.09Å; N1127-G1130 VanDerWaalsContact O-N 3.08Å; N1127-S1131 PolarHBondContact N-OG 2.85Å; N1127-S1131 WeakPolarHBondContact O-CB 3.42Å; N1127-S1131 PolarHBondContact O-N 3.39Å; N1127-S1131 PolarHBondContact O-OG 3.13Å; N1127-N1153 WeakPolarHBondContact CB-O 3.45Å; N1127-N1153 PolarHBondContact N-O 3.4Å; N1127-D1155 HydrophobicContact CB-CB 4.27Å; N1127-W1165 VanDerWaalsContact CG-CH2 3.45Å; N1127-W1165 WeakPolarHBondContact ND2-CH2 3.42Å; N1127-W1165 WeakPolarHBondContact OD1-CH2 3.37Å | ||
| 1128 | P | 82.4 | Confident | 82 | Confident | 101 Ų | 101 | 71.6 Ų | 71.6 | 66% | 0.656 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.3 | -174.6 | -21.3 | 29.7 | 0 | 0 | 0 | 115.8 | C1126 L1134 | C1126-P1128 WeakPolarHBondContact O-CD 3.45Å; P1128-L1134 HydrophobicContact CB-CD2 4.16Å; P1128-L1134 HydrophobicContact CG-CD2 3.99Å |
| 1129 | L | 84.2 | Confident | 81.9 | Confident | 130 Ų | 130 | 67.2 Ų | 67.2 | 68% | 0.681 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -26.1 | 179.2 | -75.2 | 168.1 | 0 | 0 | 0 | 113.5 | N1127 W1165 | N1127-L1129 PolarHBondContact O-N 2.71Å; N1127-L1129 PolarHBondContact OD1-N 3.25Å; N1127-L1129 VanDerWaalsContact OD1-N 3.15Å; L1129-W1165 HydrophobicContact CB-CH2 3.83Å; L1129-W1165 HydrophobicContact CB-CZ2 3.83Å; L1129-W1165 HydrophobicContact CD1-CH2 4.21Å |
| 1130 | G | 82.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -14.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1127 C1145 V1146 S1149 C1154 | N1127-G1130 PolarHBondContact O-N 3.09Å; N1127-G1130 VanDerWaalsContact O-N 3.08Å; G1130-C1145 CarbonylContact O-C 3.56Å; G1130-C1145 VanDerWaalsContact O-CA 3.23Å; G1130-C1145 WeakPolarHBondContact O-CA 3.39Å; G1130-V1146 WeakPolarHBondContact O-CG2 3.41Å; G1130-V1146 PolarHBondContact O-N 3.43Å; G1130-S1149 WeakPolarHBondContact CA-OG 3.04Å; G1130-S1149 WeakPolarHBondContact O-CB 3.42Å; G1130-C1154 WeakPolarHBondContact CA-O 3.5Å; G1130-C1154 VanDerWaalsContact O-CB 3.24Å; G1130-C1154 WeakPolarHBondContact O-CB 3.03Å |
| 1131 | S | 83.4 | Confident | 82.3 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.8 | 172.8 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | C1126 N1127 T1133 I1144 C1154 | C1126-S1131 WeakPolarHBondContact CB-OG 3.34Å; N1127-S1131 PolarHBondContact N-OG 2.85Å; N1127-S1131 WeakPolarHBondContact O-CB 3.42Å; N1127-S1131 PolarHBondContact O-N 3.39Å; N1127-S1131 PolarHBondContact O-OG 3.13Å; S1131-T1133 VanDerWaalsContact CB-O 3.25Å; S1131-T1133 WeakPolarHBondContact CB-O 3.34Å; S1131-T1133 PolarHBondContact O-N 3.26Å; S1131-I1144 CarbonylContact C-O 3.54Å; S1131-I1144 WeakPolarHBondContact CA-O 3.5Å; S1131-C1154 VanDerWaalsContact OG-CB 3.31Å; S1131-C1154 WeakPolarHBondContact OG-CB 3.26Å; S1131-C1154 PolarHBondContact OG-SG 2.8Å |
| 1132 | A | 79.5 | Confident | 82.4 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | -20.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1144 V1146 | A1132-I1144 HydrophobicContact CB-CG2 4.27Å; A1132-I1144 PolarHBondContact N-O 3.06Å; A1132-V1146 HydrophobicContact CB-CG1 3.93Å |
| 1133 | T | 80.9 | Confident | 82.5 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 148.9 | 178.4 | 168.5 | 0 | 0 | 0 | 0 | 109.6 | S1131 Q1135 I1144 | S1131-T1133 VanDerWaalsContact CB-O 3.25Å; S1131-T1133 WeakPolarHBondContact CB-O 3.34Å; S1131-T1133 PolarHBondContact O-N 3.26Å; T1133-Q1135 PolarHBondContact O-N 2.77Å; T1133-Q1135 PolarHBondContact OG1-N 2.97Å; T1133-Q1135 VanDerWaalsContact OG1-N 3.1Å; T1133-I1144 HydrophobicContact CG2-CB 4.15Å; T1133-I1144 HydrophobicContact CG2-CD1 4.14Å; T1133-I1144 HydrophobicContact CG2-CG1 4.44Å |
| 1134 | L | 84.3 | Confident | 82.5 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -9 | 173.8 | -63.5 | 175.3 | 0 | 0 | 0 | 112.8 | Y1112 C1124 P1128 | Y1112-L1134 HydrophobicContact CD1-CB 4Å; Y1112-L1134 HydrophobicContact CE1-CB 3.94Å; C1124-L1134 WeakPolarHBondContact CB-O 3.29Å; P1128-L1134 HydrophobicContact CB-CD2 4.16Å; P1128-L1134 HydrophobicContact CG-CD2 3.99Å |
| 1135 | Q | 84.2 | Confident | 82.5 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.4 | 170.2 | 178.4 | 67.5 | 60.9 | 0 | 0 | 109.7 | Y1113 T1133 | Y1113-Q1135 PolarHBondContact O-NE2 3.26Å; Y1113-Q1135 VanDerWaalsContact O-NE2 3.09Å; T1133-Q1135 PolarHBondContact O-N 2.77Å; T1133-Q1135 PolarHBondContact OG1-N 2.97Å; T1133-Q1135 VanDerWaalsContact OG1-N 3.1Å |
| 1136 | C | 83.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 163.4 | 168.4 | 65.5 | 0 | 0 | 0 | 0 | 112 | C1124 R1138 G1141 | C1124-C1136 WeakPolarHBondContact CA-SG 3.48Å; C1124-C1136 HydrophobicContact CB-CB 3.63Å; C1124-C1136 WeakPolarHBondContact CB-SG 3.21Å; C1124-C1136 VanDerWaalsContact SG-CA 3.6Å; C1124-C1136 WeakPolarHBondContact SG-CB 3.36Å; C1124-C1136 PolarHBondContact SG-N 2.89Å; C1124-C1136 CovalentContact SG-SG 2.03Å; C1124-C1136 PolarHBondContact SG-SG 2.81Å; C1136-R1138 PolarHBondContact O-N 3.47Å; C1136-G1141 VanDerWaalsContact CB-O 3.31Å; C1136-G1141 WeakPolarHBondContact CB-O 3.31Å |
| 1137 | H | 80.2 | Confident | 81.9 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 119.5 | 179.9 | -174.2 | -85.9 | 0 | 0 | 0 | 110.8 | A1139 N1140 G1141 S1142 | H1137-A1139 PolarHBondContact O-N 2.85Å; H1137-N1140 WeakPolarHBondContact CB-OD1 3.3Å; H1137-N1140 PolarHBondContact ND1-OD1 3.46Å; H1137-N1140 PolarHBondContact O-N 2.94Å; H1137-N1140 VanDerWaalsContact O-N 3.13Å; H1137-N1140 PolarHBondContact O-OD1 3.25Å; H1137-G1141 PolarHBondContact O-N 2.82Å; H1137-S1142 VanDerWaalsContact CB-O 3.24Å; H1137-S1142 WeakPolarHBondContact CB-O 3.01Å; H1137-S1142 WeakPolarHBondContact CB-OG 3.47Å; H1137-S1142 PolarHBondContact N-O 3.44Å |
| 1138 | R | 79 | Confident | 81.7 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 19% | 0.192 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.3 | -160.4 | -67.6 | 175.8 | 171.7 | -114.6 | -20.8 | 115.1 | G1103 E1108 C1109 N1111 W1114 G1115 C1136 | G1103-R1138 VanDerWaalsContact N-NH1 3.1Å; E1108-R1138 WeakPolarHBondContact OE2-CD 3.32Å; E1108-R1138 IonicContact OE2-CZ 3.02Å; E1108-R1138 VanDerWaalsContact OE2-CZ 3.32Å; E1108-R1138 IonicContact OE2-NE 2.63Å; E1108-R1138 PolarHBondContact OE2-NE 3.44Å; E1108-R1138 IonicContact OE2-NH1 3.47Å; E1108-R1138 PolarHBondContact OE2-NH1 2.95Å; C1109-R1138 PolarHBondContact O-NH1 3.06Å; N1111-R1138 PolarHBondContact OD1-NH2 3.4Å; W1114-R1138 CarbonylContact C-O 3.57Å; W1114-R1138 VanDerWaalsContact CA-O 3.25Å; W1114-R1138 WeakPolarHBondContact CA-O 3.38Å; W1114-R1138 WeakPolarHBondContact CB-O 3.22Å; G1115-R1138 PolarHBondContact N-O 2.94Å; C1136-R1138 PolarHBondContact O-N 3.47Å |
| 1139 | A | 71.1 | Confident | 81.8 | Confident | 74 Ų | 74 | 55.2 Ų | 55.2 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -20 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1137 | H1137-A1139 PolarHBondContact O-N 2.85Š|
| 1140 | N | 81.6 | Confident | 81.6 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.4 | 1.1 | -168.6 | 70 | -8.6 | 0 | 0 | 0 | 115.8 | W1114 H1137 S1142 | W1114-N1140 VanDerWaalsContact CE3-CA 3.47Å; W1114-N1140 VanDerWaalsContact CZ3-C 3.49Å; H1137-N1140 WeakPolarHBondContact CB-OD1 3.3Å; H1137-N1140 PolarHBondContact ND1-OD1 3.46Å; H1137-N1140 PolarHBondContact O-N 2.94Å; H1137-N1140 VanDerWaalsContact O-N 3.13Å; H1137-N1140 PolarHBondContact O-OD1 3.25Å; N1140-S1142 VanDerWaalsContact C-N 3.35Å; N1140-S1142 PolarHBondContact O-N 2.82Å; N1140-S1142 PolarHBondContact OD1-N 2.84Å; N1140-S1142 PolarHBondContact OD1-OG 3.05Å |
| 1141 | G | 81.6 | Confident | 81.4 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | trans | 80.3 | 1.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | W1114 C1136 H1137 | W1114-G1141 VanDerWaalsContact CD2-N 3.27Å; W1114-G1141 VanDerWaalsContact CE3-N 3.31Å; C1136-G1141 VanDerWaalsContact CB-O 3.31Å; C1136-G1141 WeakPolarHBondContact CB-O 3.31Å; H1137-G1141 PolarHBondContact O-N 2.82Å | ||
| 1142 | S | 81.9 | Confident | 81.1 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | trans | -75.8 | 134.1 | -179.6 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | H1137 N1140 | H1137-S1142 VanDerWaalsContact CB-O 3.24Å; H1137-S1142 WeakPolarHBondContact CB-O 3.01Å; H1137-S1142 WeakPolarHBondContact CB-OG 3.47Å; H1137-S1142 PolarHBondContact N-O 3.44Å; N1140-S1142 VanDerWaalsContact C-N 3.35Å; N1140-S1142 PolarHBondContact O-N 2.82Å; N1140-S1142 PolarHBondContact OD1-N 2.84Å; N1140-S1142 PolarHBondContact OD1-OG 3.05Å | ||
| 1143 | C | 85 | Confident | 81.4 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 8% | 0.081 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 147.1 | -178.5 | -60.7 | 0 | 0 | 0 | 0 | 113 | C1126 C1145 P1152 C1154 | C1126-C1143 WeakPolarHBondContact CA-SG 3.44Å; C1126-C1143 HydrophobicContact CB-CB 3.78Å; C1126-C1143 WeakPolarHBondContact CB-SG 3.43Å; C1126-C1143 WeakPolarHBondContact SG-CB 3.34Å; C1126-C1143 CovalentContact SG-SG 2.03Å; C1126-C1143 PolarHBondContact SG-SG 3.35Å; C1143-C1145 PolarHBondContact O-N 3.12Å; C1143-P1152 WeakPolarHBondContact CB-O 3.31Å; C1143-P1152 PolarHBondContact N-O 3.18Å; C1143-P1152 PolarHBondContact SG-O 2.02Å; C1143-C1154 VanDerWaalsContact CB-SG 3.54Å; C1143-C1154 PolarHBondContact O-SG 3.01Å |
| 1144 | I | 84.4 | Confident | 81.6 | Confident | 107 Ų | 107 | 50.6 Ų | 50.6 | 55% | 0.549 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114 | 173.4 | -58.1 | 177.1 | 0 | 0 | 0 | 108.1 | S1131 A1132 T1133 | S1131-I1144 CarbonylContact C-O 3.54Å; S1131-I1144 WeakPolarHBondContact CA-O 3.5Å; A1132-I1144 HydrophobicContact CB-CG2 4.27Å; A1132-I1144 PolarHBondContact N-O 3.06Å; T1133-I1144 HydrophobicContact CG2-CB 4.15Å; T1133-I1144 HydrophobicContact CG2-CD1 4.14Å; T1133-I1144 HydrophobicContact CG2-CG1 4.44Å |
| 1145 | C | 83.8 | Confident | 81.8 | Confident | 40 Ų | 40 | 50 Ų | 50 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 144.1 | -176.1 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | G1130 C1143 S1149 C1154 | G1130-C1145 CarbonylContact O-C 3.56Å; G1130-C1145 VanDerWaalsContact O-CA 3.23Å; G1130-C1145 WeakPolarHBondContact O-CA 3.39Å; C1143-C1145 PolarHBondContact O-N 3.12Å; C1145-S1149 WeakPolarHBondContact CB-O 3.47Å; C1145-C1154 WeakPolarHBondContact CA-SG 3.02Å; C1145-C1154 HydrophobicContact CB-CB 3.66Å; C1145-C1154 WeakPolarHBondContact CB-SG 3.37Å; C1145-C1154 PolarHBondContact N-SG 3.09Å; C1145-C1154 VanDerWaalsContact N-SG 3.4Å; C1145-C1154 WeakPolarHBondContact SG-CA 3.4Å; C1145-C1154 WeakPolarHBondContact SG-CB 3.26Å; C1145-C1154 CovalentContact SG-SG 2.04Å; C1145-C1154 PolarHBondContact SG-SG 2.78Å |
| 1146 | V | 82.2 | Confident | 81.9 | Confident | 64 Ų | 64 | 53.7 Ų | 53.7 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 150.7 | 166.2 | -84.7 | 0 | 0 | 0 | 0 | 110.4 | G1130 A1132 G1148 S1149 | G1130-V1146 WeakPolarHBondContact O-CG2 3.41Å; G1130-V1146 PolarHBondContact O-N 3.43Å; A1132-V1146 HydrophobicContact CB-CG1 3.93Å; V1146-G1148 PolarHBondContact O-N 2.79Å; V1146-S1149 WeakPolarHBondContact O-CA 3.3Å; V1146-S1149 WeakPolarHBondContact O-CB 3.38Å; V1146-S1149 PolarHBondContact O-N 2.02Å |
| 1147 | D | 80.1 | Confident | 81.9 | Confident | 156 Ų | 156 | 55 Ų | 55 | 83% | 0.834 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | 128.7 | -179.4 | -86.2 | -37.6 | 0 | 0 | 0 | 112.4 | ||
| 1148 | G | 80.2 | Confident | 81.7 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -22.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | V1146 C1157 A1158 C1168 | V1146-G1148 PolarHBondContact O-N 2.79Å; G1148-C1157 CarbonylContact O-C 3.54Å; G1148-C1157 WeakPolarHBondContact O-CA 3.42Å; G1148-A1158 PolarHBondContact O-N 3.48Å; G1148-C1168 WeakPolarHBondContact O-CB 3.48Å; G1148-C1168 PolarHBondContact O-SG 2.79Å; G1148-C1168 VanDerWaalsContact O-SG 3.35Å |
| 1149 | S | 85.1 | Confident | 81.5 | Confident | 15 Ų | 15 | 55 Ų | 55 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 146.4 | 172.3 | -61.7 | 0 | 0 | 0 | 0 | 112 | G1130 C1145 V1146 Q1156 A1158 W1165 | G1130-S1149 WeakPolarHBondContact CA-OG 3.04Å; G1130-S1149 WeakPolarHBondContact O-CB 3.42Å; C1145-S1149 WeakPolarHBondContact CB-O 3.47Å; V1146-S1149 WeakPolarHBondContact O-CA 3.3Å; V1146-S1149 WeakPolarHBondContact O-CB 3.38Å; V1146-S1149 PolarHBondContact O-N 2.02Å; S1149-Q1156 CarbonylContact C-O 3.45Å; S1149-Q1156 WeakPolarHBondContact CA-O 2.97Å; S1149-A1158 WeakPolarHBondContact O-CB 2.89Å; S1149-W1165 PolarHBondContact OG-NE1 3.41Å |
| 1150 | G | 79.5 | Confident | 81.7 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | -173.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1154 D1155 Q1156 | G1150-C1154 CarbonylContact O-C 3.43Å; G1150-C1154 VanDerWaalsContact O-CA 3.26Å; G1150-C1154 WeakPolarHBondContact O-CA 3.28Å; G1150-D1155 PolarHBondContact O-N 2.89Å; G1150-Q1156 PolarHBondContact N-O 2.84Å; G1150-Q1156 WeakPolarHBondContact O-CG 3.28Å; G1150-Q1156 PolarHBondContact O-N 3.37Å; G1150-Q1156 VanDerWaalsContact O-N 3.15Å; G1150-Q1156 VanDerWaalsContact O-O 3.12Å |
| 1151 | G | 77.9 | Confident | 81.7 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 86.2 | 163.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1153 C1154 | G1151-N1153 PolarHBondContact O-N 3.49Å; G1151-C1154 PolarHBondContact O-N 3.31Å |
| 1152 | P | 77.8 | Confident | 81.6 | Confident | 86 Ų | 86 | 54.3 Ų | 54.3 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -32.3 | -172.3 | 24 | -33.5 | 0 | 0 | 0 | 113.2 | C1143 | C1143-P1152 WeakPolarHBondContact CB-O 3.31Å; C1143-P1152 PolarHBondContact N-O 3.18Å; C1143-P1152 PolarHBondContact SG-O 2.02Å |
| 1153 | N | 85.6 | Confident | 81.4 | Confident | 43 Ų | 43 | 54.8 Ų | 54.8 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 5.6 | 177.6 | -64.9 | -11.4 | 0 | 0 | 0 | 113 | Q1125 N1127 G1151 D1155 | Q1125-N1153 WeakPolarHBondContact O-CB 3.43Å; Q1125-N1153 VanDerWaalsContact O-CG 3.26Å; N1127-N1153 WeakPolarHBondContact CB-O 3.45Å; N1127-N1153 PolarHBondContact N-O 3.4Å; G1151-N1153 PolarHBondContact O-N 3.49Å; N1153-D1155 VanDerWaalsContact C-N 3.34Å; N1153-D1155 PolarHBondContact O-N 2.94Å |
| 1154 | C | 85.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 59.4 | 34.1 | -175.3 | -49.7 | 0 | 0 | 0 | 0 | 115.8 | G1130 S1131 C1143 C1145 G1150 G1151 W1165 | G1130-C1154 WeakPolarHBondContact CA-O 3.5Å; G1130-C1154 VanDerWaalsContact O-CB 3.24Å; G1130-C1154 WeakPolarHBondContact O-CB 3.03Å; S1131-C1154 VanDerWaalsContact OG-CB 3.31Å; S1131-C1154 WeakPolarHBondContact OG-CB 3.26Å; S1131-C1154 PolarHBondContact OG-SG 2.8Å; C1143-C1154 VanDerWaalsContact CB-SG 3.54Å; C1143-C1154 PolarHBondContact O-SG 3.01Å; C1145-C1154 WeakPolarHBondContact CA-SG 3.02Å; C1145-C1154 HydrophobicContact CB-CB 3.66Å; C1145-C1154 WeakPolarHBondContact CB-SG 3.37Å; C1145-C1154 PolarHBondContact N-SG 3.09Å; C1145-C1154 VanDerWaalsContact N-SG 3.4Å; C1145-C1154 WeakPolarHBondContact SG-CA 3.4Å; C1145-C1154 WeakPolarHBondContact SG-CB 3.26Å; C1145-C1154 CovalentContact SG-SG 2.04Å; C1145-C1154 PolarHBondContact SG-SG 2.78Å; G1150-C1154 CarbonylContact O-C 3.43Å; G1150-C1154 VanDerWaalsContact O-CA 3.26Å; G1150-C1154 WeakPolarHBondContact O-CA 3.28Å; G1151-C1154 PolarHBondContact O-N 3.31Å; C1154-W1165 PolarHBondContact O-NE1 2.74Å; C1154-W1165 VanDerWaalsContact O-NE1 3.16Å |
| 1155 | D | 87 | Confident | 80.9 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | trans | -107.3 | 10.2 | -172.7 | 55.8 | -18.3 | 0 | 0 | 0 | 114.4 | N1127 G1150 N1153 | N1127-D1155 HydrophobicContact CB-CB 4.27Å; G1150-D1155 PolarHBondContact O-N 2.89Å; N1153-D1155 VanDerWaalsContact C-N 3.34Å; N1153-D1155 PolarHBondContact O-N 2.94Å | ||
| 1156 | Q | 86.5 | Confident | 80.3 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 173.4 | 175.3 | 56.1 | 178.4 | 8.5 | 0 | 0 | 110.9 | S1149 G1150 | S1149-Q1156 CarbonylContact C-O 3.45Å; S1149-Q1156 WeakPolarHBondContact CA-O 2.97Å; G1150-Q1156 PolarHBondContact N-O 2.84Å; G1150-Q1156 WeakPolarHBondContact O-CG 3.28Å; G1150-Q1156 PolarHBondContact O-N 3.37Å; G1150-Q1156 VanDerWaalsContact O-N 3.15Å; G1150-Q1156 VanDerWaalsContact O-O 3.12Å |
| 1157 | C | 83.1 | Confident | 80.3 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 142.4 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | G1148 C1168 | G1148-C1157 CarbonylContact O-C 3.54Å; G1148-C1157 WeakPolarHBondContact O-CA 3.42Å; C1157-C1168 WeakPolarHBondContact CA-SG 3.37Å; C1157-C1168 HydrophobicContact CB-CB 3.78Å; C1157-C1168 WeakPolarHBondContact CB-SG 3.19Å; C1157-C1168 WeakPolarHBondContact SG-CB 3.4Å; C1157-C1168 CovalentContact SG-SG 2.04Å; C1157-C1168 PolarHBondContact SG-SG 2.8Å |
| 1158 | A | 77.7 | Confident | 80.3 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 154.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1148 S1149 G1160 Y1161 | G1148-A1158 PolarHBondContact O-N 3.48Å; S1149-A1158 WeakPolarHBondContact O-CB 2.89Å; A1158-G1160 PolarHBondContact O-N 2.57Å; A1158-Y1161 HydrophobicContact CB-CD2 3.7Å; A1158-Y1161 HydrophobicContact CB-CE2 4.2Å; A1158-Y1161 HydrophobicContact CB-CG 4.46Å; A1158-Y1161 PolarHBondContact O-N 2.76Å |
| 1159 | R | 74.4 | Confident | 80.3 | Confident | 137 Ų | 137 | 64.6 Ų | 64.6 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 123.2 | 170 | -175.7 | 163.9 | 174.6 | -105 | -3.4 | 108.7 | F1175 D1179 | R1159-F1175 HydrophobicContact CG-CE1 3.89Å; R1159-F1175 HydrophobicContact CG-CZ 3.5Å; R1159-D1179 VanDerWaalsContact CZ-CG 3.41Å; R1159-D1179 IonicContact CZ-OD1 2.79Å; R1159-D1179 IonicContact CZ-OD2 2.71Å; R1159-D1179 IonicContact NH1-OD1 2.67Å; R1159-D1179 PolarHBondContact NH1-OD1 3Å; R1159-D1179 IonicContact NH1-OD2 2.79Å; R1159-D1179 PolarHBondContact NH1-OD2 3.27Å; R1159-D1179 VanDerWaalsContact NH2-CG 3.27Å; R1159-D1179 IonicContact NH2-OD1 2.9Å; R1159-D1179 PolarHBondContact NH2-OD1 2.77Å; R1159-D1179 IonicContact NH2-OD2 2.68Å |
| 1160 | G | 74.1 | Confident | 79.9 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 7.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1158 P1170 C1171 F1175 | A1158-G1160 PolarHBondContact O-N 2.57Å; G1160-P1170 CarbonylContact O-C 3.47Å; G1160-P1170 WeakPolarHBondContact O-CA 3.49Å; G1160-C1171 WeakPolarHBondContact O-CB 3.17Å; G1160-C1171 PolarHBondContact O-N 3.06Å; G1160-C1171 PolarHBondContact O-SG 2.97Å; G1160-C1171 VanDerWaalsContact O-SG 3.42Å; G1160-F1175 VanDerWaalsContact CA-CD1 3.44Å; G1160-F1175 VanDerWaalsContact CA-CE1 3.46Å |
| 1161 | Y | 82.2 | Confident | 79.6 | Confident | 72 Ų | 72 | 70 Ų | 70 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149 | 167.9 | -63.6 | -109.6 | 0 | 0 | 0 | 111.1 | A1158 C1168 E1169 P1170 C1171 | A1158-Y1161 HydrophobicContact CB-CD2 3.7Å; A1158-Y1161 HydrophobicContact CB-CE2 4.2Å; A1158-Y1161 HydrophobicContact CB-CG 4.46Å; A1158-Y1161 PolarHBondContact O-N 2.76Å; Y1161-C1168 HydrophobicContact CD1-CB 4.38Å; Y1161-E1169 CarbonylContact C-O 3.55Å; Y1161-E1169 VanDerWaalsContact CA-O 3.26Å; Y1161-E1169 WeakPolarHBondContact CA-O 3.38Å; Y1161-P1170 HydrophobicContact CD1-CB 4.02Å; Y1161-P1170 HydrophobicContact CE1-CB 3.93Å; Y1161-P1170 HydrophobicContact CE1-CG 4.44Å; Y1161-C1171 VanDerWaalsContact C-SG 3.59Å; Y1161-C1171 PolarHBondContact N-SG 3.14Å |
| 1162 | T | 79.4 | Confident | 79.4 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 172.8 | 174.7 | 86 | 0 | 0 | 0 | 0 | 109.9 | C1168 E1169 C1171 | T1162-C1168 CarbonylContact O-C 3.58Å; T1162-C1168 WeakPolarHBondContact O-CA 3.37Å; T1162-E1169 PolarHBondContact N-O 3.3Å; T1162-E1169 PolarHBondContact O-N 3.02Å; T1162-C1171 WeakPolarHBondContact CG2-SG 3.01Å |
| 1163 | G | 78.4 | Confident | 79.2 | Confident | 54 Ų | 54 | 73.1 Ų | 73.1 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 114 | -158.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1164 | I | 81.3 | Confident | 78.6 | Confident | 145 Ų | 145 | 76.3 Ų | 76.3 | 74% | 0.744 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 108.3 | -178.3 | -58.6 | 175 | 0 | 0 | 0 | 107 | H1167 | I1164-H1167 CarbonylContact C-O 3.23Å; I1164-H1167 PolarHBondContact N-O 3.33Å; I1164-H1167 VanDerWaalsContact N-O 3.11Å; I1164-H1167 CarbonylContact O-C 3.06Å; I1164-H1167 WeakPolarHBondContact O-CA 3.22Å; I1164-H1167 WeakPolarHBondContact O-CB 3.15Å; I1164-H1167 PolarHBondContact O-N 2.69Å; I1164-H1167 VanDerWaalsContact O-O 3.13Å |
| 1165 | W | 77 | Confident | 78.1 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 21% | 0.205 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 133.3 | 177.9 | -176.2 | 93 | 0 | 0 | 0 | 111 | N1127 L1129 S1149 C1154 | N1127-W1165 VanDerWaalsContact CG-CH2 3.45Å; N1127-W1165 WeakPolarHBondContact ND2-CH2 3.42Å; N1127-W1165 WeakPolarHBondContact OD1-CH2 3.37Å; L1129-W1165 HydrophobicContact CB-CH2 3.83Å; L1129-W1165 HydrophobicContact CB-CZ2 3.83Å; L1129-W1165 HydrophobicContact CD1-CH2 4.21Å; S1149-W1165 PolarHBondContact OG-NE1 3.41Å; C1154-W1165 PolarHBondContact O-NE1 2.74Å; C1154-W1165 VanDerWaalsContact O-NE1 3.16Å |
| 1166 | P | 71.5 | Confident | 77.3 | Confident | 72 Ų | 72 | 83.1 Ų | 83.1 | 47% | 0.468 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87 | 9.8 | 10.6 | 35.2 | -37 | 0 | 0 | 0 | 115.7 | ||
| 1167 | H | 81.4 | Confident | 76.6 | Confident | 156 Ų | 156 | 82.9 Ų | 82.9 | 72% | 0.722 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 87.9 | 178.6 | -65.6 | 11 | 0 | 0 | 0 | 110.8 | I1164 | I1164-H1167 CarbonylContact C-O 3.23Å; I1164-H1167 PolarHBondContact N-O 3.33Å; I1164-H1167 VanDerWaalsContact N-O 3.11Å; I1164-H1167 CarbonylContact O-C 3.06Å; I1164-H1167 WeakPolarHBondContact O-CA 3.22Å; I1164-H1167 WeakPolarHBondContact O-CB 3.15Å; I1164-H1167 PolarHBondContact O-N 2.69Å; I1164-H1167 VanDerWaalsContact O-O 3.13Å |
| 1168 | C | 81.2 | Confident | 76.1 | Confident | 27 Ų | 27 | 87.1 Ų | 87.1 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.5 | -176.5 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | G1148 C1157 Y1161 T1162 | G1148-C1168 WeakPolarHBondContact O-CB 3.48Å; G1148-C1168 PolarHBondContact O-SG 2.79Å; G1148-C1168 VanDerWaalsContact O-SG 3.35Å; C1157-C1168 WeakPolarHBondContact CA-SG 3.37Å; C1157-C1168 HydrophobicContact CB-CB 3.78Å; C1157-C1168 WeakPolarHBondContact CB-SG 3.19Å; C1157-C1168 WeakPolarHBondContact SG-CB 3.4Å; C1157-C1168 CovalentContact SG-SG 2.04Å; C1157-C1168 PolarHBondContact SG-SG 2.8Å; Y1161-C1168 HydrophobicContact CD1-CB 4.38Å; T1162-C1168 CarbonylContact O-C 3.58Å; T1162-C1168 WeakPolarHBondContact O-CA 3.37Å |
| 1169 | E | 78.9 | Confident | 75.9 | Confident | 138 Ų | 138 | 87.8 Ų | 87.8 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.4 | -179.7 | -65 | -170.6 | 168.7 | 0 | 0 | 111.7 | Y1161 T1162 | Y1161-E1169 CarbonylContact C-O 3.55Å; Y1161-E1169 VanDerWaalsContact CA-O 3.26Å; Y1161-E1169 WeakPolarHBondContact CA-O 3.38Å; T1162-E1169 PolarHBondContact N-O 3.3Å; T1162-E1169 PolarHBondContact O-N 3.02Å |
| 1170 | P | 76.2 | Confident | 75.9 | Confident | 94 Ų | 94 | 85.1 Ų | 85.1 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 137.1 | -174.6 | 26.3 | -34.5 | 0 | 0 | 0 | 114.1 | G1160 Y1161 G1172 | G1160-P1170 CarbonylContact O-C 3.47Å; G1160-P1170 WeakPolarHBondContact O-CA 3.49Å; Y1161-P1170 HydrophobicContact CD1-CB 4.02Å; Y1161-P1170 HydrophobicContact CE1-CB 3.93Å; Y1161-P1170 HydrophobicContact CE1-CG 4.44Å; P1170-G1172 PolarHBondContact O-N 3.19Å |
| 1171 | C | 73.1 | Confident | 76 | Confident | 44 Ų | 44 | 89.6 Ų | 89.6 | 30% | 0.297 | 48% | 0.482 | S | S | . | . | trans | -67.1 | 7.5 | -175.7 | -65.8 | 0 | 0 | 0 | 0 | 116.5 | G1160 Y1161 T1162 F1175 | G1160-C1171 WeakPolarHBondContact O-CB 3.17Å; G1160-C1171 PolarHBondContact O-N 3.06Å; G1160-C1171 PolarHBondContact O-SG 2.97Å; G1160-C1171 VanDerWaalsContact O-SG 3.42Å; Y1161-C1171 VanDerWaalsContact C-SG 3.59Å; Y1161-C1171 PolarHBondContact N-SG 3.14Å; T1162-C1171 WeakPolarHBondContact CG2-SG 3.01Å; C1171-F1175 HydrophobicContact CB-CB 3.43Å; C1171-F1175 VanDerWaalsContact CB-CB 3.43Å; C1171-F1175 HydrophobicContact CB-CD1 4.48Å; C1171-F1175 HydrophobicContact CB-CD2 4.32Å; C1171-F1175 HydrophobicContact CB-CG 3.82Å | ||
| 1172 | G | 75.2 | Confident | 75.5 | Confident | 38 Ų | 38 | 87.7 Ų | 87.7 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | 68.9 | -168.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P1170 | P1170-G1172 PolarHBondContact O-N 3.19Å |
| 1173 | E | 72.4 | Confident | 75.3 | Confident | 140 Ų | 140 | 87.6 Ų | 87.6 | 65% | 0.654 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66 | -36.4 | -176.1 | -75.4 | -172.3 | 142.5 | 0 | 0 | 114.4 | F1175 R1176 N1177 | E1173-F1175 VanDerWaalsContact C-N 3.32Å; E1173-F1175 PolarHBondContact O-N 3.23Å; E1173-R1176 PolarHBondContact O-N 3.03Å; E1173-R1176 VanDerWaalsContact O-N 3.15Å; E1173-N1177 PolarHBondContact O-N 3.31Å |
| 1174 | C | 73.6 | Confident | 75.1 | Confident | 110 Ų | 110 | 86.8 Ų | 86.8 | 74% | 0.743 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | -174.3 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | W1178 | C1174-W1178 PolarHBondContact O-N 3.13Å; C1174-W1178 VanDerWaalsContact O-N 3.17Å |
| 1175 | F | 75.9 | Confident | 74.7 | Confident | 52 Ų | 52 | 83.9 Ų | 83.9 | 23% | 0.228 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 175.4 | -169.9 | -83.6 | 0 | 0 | 0 | 112.2 | R1159 G1160 C1171 E1173 N1177 W1178 D1179 | R1159-F1175 HydrophobicContact CG-CE1 3.89Å; R1159-F1175 HydrophobicContact CG-CZ 3.5Å; G1160-F1175 VanDerWaalsContact CA-CD1 3.44Å; G1160-F1175 VanDerWaalsContact CA-CE1 3.46Å; C1171-F1175 HydrophobicContact CB-CB 3.43Å; C1171-F1175 VanDerWaalsContact CB-CB 3.43Å; C1171-F1175 HydrophobicContact CB-CD1 4.48Å; C1171-F1175 HydrophobicContact CB-CD2 4.32Å; C1171-F1175 HydrophobicContact CB-CG 3.82Å; E1173-F1175 VanDerWaalsContact C-N 3.32Å; E1173-F1175 PolarHBondContact O-N 3.23Å; F1175-N1177 VanDerWaalsContact C-N 3.34Å; F1175-N1177 PolarHBondContact O-N 3.2Å; F1175-W1178 HydrophobicContact CE2-CE3 4.32Å; F1175-W1178 HydrophobicContact CE2-CZ3 4.35Å; F1175-W1178 PolarHBondContact O-N 3.43Å; F1175-D1179 HydrophobicContact CD1-CB 4.35Å; F1175-D1179 HydrophobicContact CE1-CB 3.98Å; F1175-D1179 WeakPolarHBondContact O-CB 3.33Å; F1175-D1179 PolarHBondContact O-N 3.3Å |
| 1176 | R | 69.1 | Low | 74.5 | Confident | 165 Ų | 165 | 85.9 Ų | 85.9 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 179.2 | -70.2 | -172.1 | -65.7 | -176.4 | 4.3 | 112.4 | E1173 S1180 | E1173-R1176 PolarHBondContact O-N 3.03Å; E1173-R1176 VanDerWaalsContact O-N 3.15Å; R1176-S1180 VanDerWaalsContact O-CB 3.29Å; R1176-S1180 WeakPolarHBondContact O-CB 3.46Å; R1176-S1180 PolarHBondContact O-N 3.28Å |
| 1177 | N | 73.1 | Confident | 74.5 | Confident | 104 Ų | 104 | 87.3 Ų | 87.3 | 56% | 0.556 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67 | -43.3 | 175.9 | -74.2 | -5.2 | 0 | 0 | 0 | 112 | E1173 F1175 I1181 | E1173-N1177 PolarHBondContact O-N 3.31Å; F1175-N1177 VanDerWaalsContact C-N 3.34Å; F1175-N1177 PolarHBondContact O-N 3.2Å; N1177-I1181 WeakPolarHBondContact O-CD1 3.39Å; N1177-I1181 WeakPolarHBondContact O-CG1 3.46Å; N1177-I1181 PolarHBondContact O-N 3.26Å |
| 1178 | W | 72.4 | Confident | 74.1 | Confident | 119 Ų | 119 | 84.4 Ų | 84.4 | 45% | 0.451 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 178.2 | -177.3 | 78.3 | 0 | 0 | 0 | 112.5 | C1174 F1175 I1181 L1182 | C1174-W1178 PolarHBondContact O-N 3.13Å; C1174-W1178 VanDerWaalsContact O-N 3.17Å; F1175-W1178 HydrophobicContact CE2-CE3 4.32Å; F1175-W1178 HydrophobicContact CE2-CZ3 4.35Å; F1175-W1178 PolarHBondContact O-N 3.43Å; W1178-I1181 PolarHBondContact O-N 2.85Å; W1178-L1182 HydrophobicContact CD2-CD1 4.01Å; W1178-L1182 HydrophobicContact CE3-CD1 3.93Å; W1178-L1182 HydrophobicContact CH2-CD1 3.4Å; W1178-L1182 VanDerWaalsContact CH2-CD1 3.4Å; W1178-L1182 HydrophobicContact CZ2-CD1 3.46Å; W1178-L1182 VanDerWaalsContact CZ2-CD1 3.46Å; W1178-L1182 HydrophobicContact CZ2-CG 4.48Å; W1178-L1182 HydrophobicContact CZ3-CD1 3.64Å; W1178-L1182 PolarHBondContact O-N 2.92Å |
| 1179 | D | 74 | Confident | 73.7 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 17% | 0.166 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 177.3 | -162.1 | 2.5 | 0 | 0 | 0 | 112 | R1159 F1175 I1181 L1182 Q1183 | R1159-D1179 VanDerWaalsContact CZ-CG 3.41Å; R1159-D1179 IonicContact CZ-OD1 2.79Å; R1159-D1179 IonicContact CZ-OD2 2.71Å; R1159-D1179 IonicContact NH1-OD1 2.67Å; R1159-D1179 PolarHBondContact NH1-OD1 3Å; R1159-D1179 IonicContact NH1-OD2 2.79Å; R1159-D1179 PolarHBondContact NH1-OD2 3.27Å; R1159-D1179 VanDerWaalsContact NH2-CG 3.27Å; R1159-D1179 IonicContact NH2-OD1 2.9Å; R1159-D1179 PolarHBondContact NH2-OD1 2.77Å; R1159-D1179 IonicContact NH2-OD2 2.68Å; F1175-D1179 HydrophobicContact CD1-CB 4.35Å; F1175-D1179 HydrophobicContact CE1-CB 3.98Å; F1175-D1179 WeakPolarHBondContact O-CB 3.33Å; F1175-D1179 PolarHBondContact O-N 3.3Å; D1179-I1181 VanDerWaalsContact C-N 3.27Å; D1179-I1181 PolarHBondContact O-N 2.8Å; D1179-L1182 PolarHBondContact O-N 3.13Å; D1179-L1182 VanDerWaalsContact O-N 3.09Å; D1179-Q1183 WeakPolarHBondContact O-CG 3.42Å; D1179-Q1183 PolarHBondContact O-N 3.1Å |
| 1180 | S | 72.8 | Confident | 73.5 | Confident | 82 Ų | 82 | 78.7 Ų | 78.7 | 57% | 0.573 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.5 | -40.1 | 174.2 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | R1176 G1184 | R1176-S1180 VanDerWaalsContact O-CB 3.29Å; R1176-S1180 WeakPolarHBondContact O-CB 3.46Å; R1176-S1180 PolarHBondContact O-N 3.28Å; S1180-G1184 PolarHBondContact O-N 3.04Å |
| 1181 | I | 76.5 | Confident | 73.4 | Confident | 110 Ų | 110 | 80.4 Ų | 80.4 | 56% | 0.564 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.3 | -42.4 | 175.8 | -67.8 | 163.8 | 0 | 0 | 0 | 111.4 | N1177 W1178 D1179 G1184 L1185 | N1177-I1181 WeakPolarHBondContact O-CD1 3.39Å; N1177-I1181 WeakPolarHBondContact O-CG1 3.46Å; N1177-I1181 PolarHBondContact O-N 3.26Å; W1178-I1181 PolarHBondContact O-N 2.85Å; D1179-I1181 VanDerWaalsContact C-N 3.27Å; D1179-I1181 PolarHBondContact O-N 2.8Å; I1181-G1184 PolarHBondContact O-N 2.79Å; I1181-L1185 HydrophobicContact CG2-CD1 4.25Å; I1181-L1185 PolarHBondContact O-N 2.83Å; I1181-L1185 VanDerWaalsContact O-N 3.1Å |
| 1182 | L | 72.8 | Confident | 73.4 | Confident | 32 Ų | 32 | 82.1 Ų | 82.1 | 17% | 0.168 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.7 | -38.9 | 179.6 | -77.2 | 178.9 | 0 | 0 | 0 | 113.3 | W1178 D1179 L1185 K1186 | W1178-L1182 HydrophobicContact CD2-CD1 4.01Å; W1178-L1182 HydrophobicContact CE3-CD1 3.93Å; W1178-L1182 HydrophobicContact CH2-CD1 3.4Å; W1178-L1182 VanDerWaalsContact CH2-CD1 3.4Å; W1178-L1182 HydrophobicContact CZ2-CD1 3.46Å; W1178-L1182 VanDerWaalsContact CZ2-CD1 3.46Å; W1178-L1182 HydrophobicContact CZ2-CG 4.48Å; W1178-L1182 HydrophobicContact CZ3-CD1 3.64Å; W1178-L1182 PolarHBondContact O-N 2.92Å; D1179-L1182 PolarHBondContact O-N 3.13Å; D1179-L1182 VanDerWaalsContact O-N 3.09Å; L1182-L1185 PolarHBondContact O-N 2.04Å; L1182-K1186 WeakPolarHBondContact O-CB 3.41Å; L1182-K1186 PolarHBondContact O-N 3.25Å; L1182-K1186 VanDerWaalsContact O-N 3.09Å |
| 1183 | Q | 73.7 | Confident | 73.2 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 34% | 0.341 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 173.9 | -62.1 | -66.1 | 0.3 | 0 | 0 | 110.7 | D1179 L1185 K1186 D1187 | D1179-Q1183 WeakPolarHBondContact O-CG 3.42Å; D1179-Q1183 PolarHBondContact O-N 3.1Å; Q1183-L1185 VanDerWaalsContact C-N 3.32Å; Q1183-L1185 PolarHBondContact O-N 2.93Å; Q1183-K1186 CarbonylContact O-C 3.58Å; Q1183-K1186 WeakPolarHBondContact O-CA 3.04Å; Q1183-K1186 WeakPolarHBondContact O-CB 3.43Å; Q1183-K1186 PolarHBondContact O-N 3.16Å; Q1183-D1187 WeakPolarHBondContact O-CB 3.43Å; Q1183-D1187 VanDerWaalsContact O-CG 3.27Å; Q1183-D1187 PolarHBondContact O-N 3.35Å |
| 1184 | G | 74.1 | Confident | 73 | Confident | 37 Ų | 37 | 83 Ų | 83 | 38% | 0.381 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -55.8 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1180 I1181 K1186 D1187 E1188 | S1180-G1184 PolarHBondContact O-N 3.04Å; I1181-G1184 PolarHBondContact O-N 2.79Å; G1184-K1186 PolarHBondContact O-N 2.66Å; G1184-D1187 PolarHBondContact O-N 2.93Å; G1184-E1188 WeakPolarHBondContact O-CB 3.31Å; G1184-E1188 PolarHBondContact O-N 2.81Å |
| 1185 | L | 72.9 | Confident | 72.7 | Confident | 83 Ų | 83 | 81.2 Ų | 81.2 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 173.7 | -88.9 | 158.9 | 0 | 0 | 0 | 113.4 | I1181 L1182 Q1183 A1189 L1226 | I1181-L1185 HydrophobicContact CG2-CD1 4.25Å; I1181-L1185 PolarHBondContact O-N 2.83Å; I1181-L1185 VanDerWaalsContact O-N 3.1Å; L1182-L1185 PolarHBondContact O-N 2.04Å; Q1183-L1185 VanDerWaalsContact C-N 3.32Å; Q1183-L1185 PolarHBondContact O-N 2.93Å; L1185-A1189 VanDerWaalsContact O-CB 3.3Å; L1185-A1189 WeakPolarHBondContact O-CB 3.45Å; L1185-A1189 PolarHBondContact O-N 3.32Å; L1185-L1226 HydrophobicContact CB-CD1 4.32Å; L1185-L1226 HydrophobicContact CB-CD2 4.32Å |
| 1186 | K | 73 | Confident | 72.2 | Confident | 97 Ų | 97 | 79.5 Ų | 79.5 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 178.7 | -177.5 | -168.7 | 169.3 | -158.8 | 0 | 112.1 | L1182 Q1183 G1184 S1190 | L1182-K1186 WeakPolarHBondContact O-CB 3.41Å; L1182-K1186 PolarHBondContact O-N 3.25Å; L1182-K1186 VanDerWaalsContact O-N 3.09Å; Q1183-K1186 CarbonylContact O-C 3.58Å; Q1183-K1186 WeakPolarHBondContact O-CA 3.04Å; Q1183-K1186 WeakPolarHBondContact O-CB 3.43Å; Q1183-K1186 PolarHBondContact O-N 3.16Å; G1184-K1186 PolarHBondContact O-N 2.66Å; K1186-S1190 WeakPolarHBondContact O-CB 3.06Å; K1186-S1190 PolarHBondContact O-N 2.03Å; K1186-S1190 PolarHBondContact O-OG 3.3Å |
| 1187 | D | 71.5 | Confident | 71.9 | Confident | 102 Ų | 102 | 74 Ų | 74 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 177.1 | -66 | -20.9 | 0 | 0 | 0 | 110.2 | Q1183 G1184 S1190 R1191 | Q1183-D1187 WeakPolarHBondContact O-CB 3.43Å; Q1183-D1187 VanDerWaalsContact O-CG 3.27Å; Q1183-D1187 PolarHBondContact O-N 3.35Å; G1184-D1187 PolarHBondContact O-N 2.93Å; D1187-S1190 PolarHBondContact O-N 2.91Å; D1187-R1191 WeakPolarHBondContact O-CB 2.77Å; D1187-R1191 PolarHBondContact O-N 2.94Å |
| 1188 | E | 73.8 | Confident | 71.4 | Confident | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 174.3 | -178.8 | 148.7 | -114.5 | 0 | 0 | 112.7 | G1184 S1190 R1191 L1192 | G1184-E1188 WeakPolarHBondContact O-CB 3.31Å; G1184-E1188 PolarHBondContact O-N 2.81Å; E1188-S1190 VanDerWaalsContact C-N 3.27Å; E1188-S1190 PolarHBondContact O-N 3.07Å; E1188-R1191 PolarHBondContact O-N 2.85Å; E1188-R1191 IonicContact OE1-CZ 3.3Å; E1188-R1191 IonicContact OE1-NH1 3.94Å; E1188-R1191 IonicContact OE1-NH2 3.58Å; E1188-R1191 PolarHBondContact OE1-NH2 3.15Å; E1188-L1192 HydrophobicContact CG-CD1 4.24Å; E1188-L1192 WeakPolarHBondContact O-CB 3.41Å; E1188-L1192 PolarHBondContact O-N 2.89Å |
| 1189 | A | 73.2 | Confident | 70.7 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.4 | -32.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1185 Q1193 L1226 | L1185-A1189 VanDerWaalsContact O-CB 3.3Å; L1185-A1189 WeakPolarHBondContact O-CB 3.45Å; L1185-A1189 PolarHBondContact O-N 3.32Å; A1189-Q1193 PolarHBondContact O-N 3.38Å; A1189-L1226 HydrophobicContact CB-CD1 4.18Å |
| 1190 | S | 74.1 | Confident | 69.8 | Low | 38 Ų | 38 | 70 Ų | 70 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76.3 | -38.2 | 177 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | K1186 D1187 E1188 Q1193 Y1194 | K1186-S1190 WeakPolarHBondContact O-CB 3.06Å; K1186-S1190 PolarHBondContact O-N 2.03Å; K1186-S1190 PolarHBondContact O-OG 3.3Å; D1187-S1190 PolarHBondContact O-N 2.91Å; E1188-S1190 VanDerWaalsContact C-N 3.27Å; E1188-S1190 PolarHBondContact O-N 3.07Å; S1190-Q1193 PolarHBondContact O-N 2.97Å; S1190-Y1194 PolarHBondContact O-N 2.82Å; S1190-Y1194 VanDerWaalsContact O-N 3.09Å |
| 1191 | R | 74.2 | Confident | 68.9 | Low | 131 Ų | 131 | 72.7 Ų | 72.7 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -51.2 | 172.5 | -169.9 | -170.9 | 69.9 | -138.3 | -9.2 | 110.8 | D1187 E1188 Q1193 Y1194 D1195 | D1187-R1191 WeakPolarHBondContact O-CB 2.77Å; D1187-R1191 PolarHBondContact O-N 2.94Å; E1188-R1191 PolarHBondContact O-N 2.85Å; E1188-R1191 IonicContact OE1-CZ 3.3Å; E1188-R1191 IonicContact OE1-NH1 3.94Å; E1188-R1191 IonicContact OE1-NH2 3.58Å; E1188-R1191 PolarHBondContact OE1-NH2 3.15Å; R1191-Q1193 PolarHBondContact O-N 2.69Å; R1191-Y1194 WeakPolarHBondContact O-CB 3.35Å; R1191-Y1194 PolarHBondContact O-N 3.42Å; R1191-D1195 IonicContact NE-OD2 3.08Å; R1191-D1195 PolarHBondContact O-N 2.97Å |
| 1192 | L | 72.8 | Confident | 67.6 | Low | 79 Ų | 79 | 72 Ų | 72 | 41% | 0.414 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.5 | -32.3 | 176.3 | -79.7 | 165.1 | 0 | 0 | 0 | 113.1 | E1188 S1196 L1219 | E1188-L1192 HydrophobicContact CG-CD1 4.24Å; E1188-L1192 WeakPolarHBondContact O-CB 3.41Å; E1188-L1192 PolarHBondContact O-N 2.89Å; L1192-S1196 WeakPolarHBondContact O-CB 3.23Å; L1192-S1196 PolarHBondContact O-N 3.21Å; L1192-L1219 HydrophobicContact CB-CD1 3.99Å; L1192-L1219 HydrophobicContact CB-CD2 3.87Å; L1192-L1219 HydrophobicContact CD1-CD2 4.29Å; L1192-L1219 WeakPolarHBondContact O-CD1 3.31Å |
| 1193 | Q | 70.9 | Confident | 66.4 | Low | 45 Ų | 45 | 73.9 Ų | 73.9 | 21% | 0.21 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.6 | -39.5 | 175.6 | -168.3 | 175.6 | 22.2 | 0 | 0 | 112.2 | A1189 S1190 R1191 S1196 S1197 K1223 | A1189-Q1193 PolarHBondContact O-N 3.38Å; S1190-Q1193 PolarHBondContact O-N 2.97Å; R1191-Q1193 PolarHBondContact O-N 2.69Å; Q1193-S1196 PolarHBondContact O-N 2.85Å; Q1193-S1197 PolarHBondContact O-N 3.23Å; Q1193-S1197 VanDerWaalsContact O-N 3.1Å; Q1193-S1197 PolarHBondContact O-OG 2.96Å; Q1193-K1223 VanDerWaalsContact OE1-CD 3.31Å |
| 1194 | Y | 69.2 | Low | 65.2 | Low | 151 Ų | 151 | 77.5 Ų | 77.5 | 59% | 0.592 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.1 | -44.4 | 175.7 | -179.6 | -97.9 | 0 | 0 | 0 | 112.2 | S1190 R1191 S1196 S1197 N1198 | S1190-Y1194 PolarHBondContact O-N 2.82Å; S1190-Y1194 VanDerWaalsContact O-N 3.09Å; R1191-Y1194 WeakPolarHBondContact O-CB 3.35Å; R1191-Y1194 PolarHBondContact O-N 3.42Å; Y1194-S1196 PolarHBondContact O-N 3.48Å; Y1194-S1197 PolarHBondContact O-N 3.24Å; Y1194-S1197 PolarHBondContact O-OG 3.42Å; Y1194-N1198 WeakPolarHBondContact CE1-ND2 3.1Å; Y1194-N1198 PolarHBondContact O-N 2.92Å; Y1194-N1198 PolarHBondContact O-OD1 2.67Å; Y1194-N1198 PolarHBondContact OH-ND2 3Å |
| 1195 | D | 67.2 | Low | 63.9 | Low | 74 Ų | 74 | 77.6 Ų | 77.6 | 40% | 0.396 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 174.1 | -58.7 | -21.7 | 0 | 0 | 0 | 110 | R1191 I1199 | R1191-D1195 IonicContact NE-OD2 3.08Å; R1191-D1195 PolarHBondContact O-N 2.97Å; D1195-I1199 WeakPolarHBondContact O-CG1 3.33Å |
| 1196 | S | 64.6 | Low | 62.8 | Low | 16 Ų | 16 | 83.3 Ų | 83.3 | 11% | 0.112 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.1 | -32.6 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 114.2 | L1192 Q1193 Y1194 | L1192-S1196 WeakPolarHBondContact O-CB 3.23Å; L1192-S1196 PolarHBondContact O-N 3.21Å; Q1193-S1196 PolarHBondContact O-N 2.85Å; Y1194-S1196 PolarHBondContact O-N 3.48Å |
| 1197 | S | 63.9 | Low | 62 | Low | 50 Ų | 50 | 85 Ų | 85 | 35% | 0.35 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77 | -33.9 | 179.5 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | Q1193 Y1194 | Q1193-S1197 PolarHBondContact O-N 3.23Å; Q1193-S1197 VanDerWaalsContact O-N 3.1Å; Q1193-S1197 PolarHBondContact O-OG 2.96Å; Y1194-S1197 PolarHBondContact O-N 3.24Å; Y1194-S1197 PolarHBondContact O-OG 3.42Å |
| 1198 | N | 62 | Low | 61.6 | Low | 57 Ų | 57 | 84.1 Ų | 84.1 | 31% | 0.305 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -86.6 | -6.4 | -172.9 | -64.5 | 11.1 | 0 | 0 | 0 | 113.9 | Y1194 A1200 D1201 | Y1194-N1198 WeakPolarHBondContact CE1-ND2 3.1Å; Y1194-N1198 PolarHBondContact O-N 2.92Å; Y1194-N1198 PolarHBondContact O-OD1 2.67Å; Y1194-N1198 PolarHBondContact OH-ND2 3Å; N1198-A1200 PolarHBondContact O-N 2.83Å; N1198-A1200 VanDerWaalsContact O-N 3.16Å; N1198-D1201 PolarHBondContact O-N 2.9Å |
| 1199 | I | 57.5 | Low | 61.1 | Low | 54 Ų | 54 | 83.5 Ų | 83.5 | 28% | 0.277 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -61.4 | -19.5 | 170 | -73.1 | 164.9 | 0 | 0 | 0 | 111.9 | D1195 D1201 T1202 F1212 | D1195-I1199 WeakPolarHBondContact O-CG1 3.33Å; I1199-D1201 PolarHBondContact O-N 2.81Å; I1199-T1202 PolarHBondContact O-N 2.98Å; I1199-T1202 PolarHBondContact O-OG1 3.17Å; I1199-T1202 VanDerWaalsContact O-OG1 3.06Å; I1199-F1212 HydrophobicContact CD1-CD1 4.22Å; I1199-F1212 HydrophobicContact CD1-CE1 3.53Å; I1199-F1212 HydrophobicContact CD1-CZ 4.04Å; I1199-F1212 HydrophobicContact CG2-CD2 4.33Å; I1199-F1212 HydrophobicContact CG2-CE1 4.04Å; I1199-F1212 HydrophobicContact CG2-CE2 3.79Å; I1199-F1212 HydrophobicContact CG2-CZ 3.65Å |
| 1200 | A | 55.2 | Low | 60.9 | Low | 57 Ų | 57 | 89 Ų | 89 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -58.6 | -35.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1198 | N1198-A1200 PolarHBondContact O-N 2.83Å; N1198-A1200 VanDerWaalsContact O-N 3.16Å |
| 1201 | D | 53.7 | Low | 60.6 | Low | 140 Ų | 140 | 91.1 Ų | 91.1 | 75% | 0.749 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -82.8 | -11 | -176.1 | -64.3 | -33.5 | 0 | 0 | 0 | 113.2 | N1198 I1199 G1203 | N1198-D1201 PolarHBondContact O-N 2.9Å; I1199-D1201 PolarHBondContact O-N 2.81Å; D1201-G1203 PolarHBondContact O-N 2.87Å |
| 1202 | T | 50.1 | Low | 60.2 | Low | 95 Ų | 95 | 87.7 Ų | 87.7 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -86.3 | 22.8 | -178.9 | 68 | 0 | 0 | 0 | 0 | 113.9 | I1199 M1204 | I1199-T1202 PolarHBondContact O-N 2.98Å; I1199-T1202 PolarHBondContact O-OG1 3.17Å; I1199-T1202 VanDerWaalsContact O-OG1 3.06Å; T1202-M1204 PolarHBondContact O-N 3.33Å |
| 1203 | G | 46.5 | Very low | 60.2 | Low | 72 Ų | 72 | 89 Ų | 89 | 74% | 0.742 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 70.1 | -12 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | D1201 | D1201-G1203 PolarHBondContact O-N 2.87Š|
| 1204 | M | 48.4 | Very low | 60.4 | Low | 148 Ų | 148 | 91.3 Ų | 91.3 | 73% | 0.729 | 48% | 0.476 | S | S | * | . | trans | -103.3 | 12.4 | -177.3 | -68.3 | -147.1 | -70.1 | 0 | 0 | 115 | T1202 F1206 | T1202-M1204 PolarHBondContact O-N 3.33Å; M1204-F1206 PolarHBondContact O-N 2.97Å | ||
| 1205 | S | 47.4 | Very low | 60.5 | Low | 39 Ų | 39 | 86.4 Ų | 86.4 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -68.9 | -27.3 | -164.5 | 54.5 | 0 | 0 | 0 | 0 | 116.2 | I1207 Y1208 | S1205-I1207 PolarHBondContact O-N 3.41Å; S1205-Y1208 PolarHBondContact O-N 2.04Å |
| 1206 | F | 48.7 | Very low | 60.6 | Low | 204 Ų | 204 | 86.4 Ų | 86.4 | 90% | 0.895 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -65.3 | -14 | -168.4 | -149.4 | -90.5 | 0 | 0 | 0 | 115.7 | M1204 | M1204-F1206 PolarHBondContact O-N 2.97Š|
| 1207 | I | 56.6 | Low | 61.2 | Low | 132 Ų | 132 | 90.7 Ų | 90.7 | 68% | 0.677 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -98.2 | -23.8 | -175.7 | -61.2 | 179.1 | 0 | 0 | 0 | 113.2 | S1205 | S1205-I1207 PolarHBondContact O-N 3.41Š|
| 1208 | Y | 63.1 | Low | 61.7 | Low | 83 Ų | 83 | 91.9 Ų | 91.9 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 8.6 | -167.3 | -60.3 | -69 | 0 | 0 | 0 | 114.6 | S1205 E1210 E1211 F1212 | S1205-Y1208 PolarHBondContact O-N 2.04Å; Y1208-E1210 PolarHBondContact O-N 3.47Å; Y1208-E1210 VanDerWaalsContact O-N 3.08Å; Y1208-E1211 PolarHBondContact O-N 3.16Å; Y1208-F1212 WeakPolarHBondContact O-CD2 3.45Å; Y1208-F1212 PolarHBondContact O-N 2.04Å; Y1208-F1212 VanDerWaalsContact O-N 3.08Å |
| 1209 | D | 63.1 | Low | 62.2 | Low | 82 Ų | 82 | 89.7 Ų | 89.7 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -53.8 | -31.8 | -174.8 | -162 | 61.4 | 0 | 0 | 0 | 113.9 | K1213 | D1209-K1213 PolarHBondContact O-N 3.03Å; D1209-K1213 VanDerWaalsContact O-N 3.17Å; D1209-K1213 IonicContact OD2-NZ 3.24Å; D1209-K1213 PolarHBondContact OD2-NZ 2.9Å |
| 1210 | E | 69.7 | Low | 63 | Low | 123 Ų | 123 | 89.9 Ų | 89.9 | 58% | 0.575 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -79.8 | -26.1 | -179.1 | -141.1 | -106.2 | 161.8 | 0 | 0 | 112.8 | Y1208 K1214 | Y1208-E1210 PolarHBondContact O-N 3.47Å; Y1208-E1210 VanDerWaalsContact O-N 3.08Å; E1210-K1214 WeakPolarHBondContact O-CD 3.48Å; E1210-K1214 WeakPolarHBondContact O-CG 3.26Å; E1210-K1214 IonicContact OE1-NZ 3.63Å; E1210-K1214 PolarHBondContact OE1-NZ 2.91Å; E1210-K1214 IonicContact OE2-NZ 3.29Å; E1210-K1214 PolarHBondContact OE2-NZ 3.29Å |
| 1211 | E | 67 | Low | 64 | Low | 81 Ų | 81 | 91.7 Ų | 91.7 | 38% | 0.379 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -79.3 | -40.8 | 169.9 | -76.3 | 114.3 | 157.6 | 0 | 0 | 112.1 | Y1208 K1214 I1215 | Y1208-E1211 PolarHBondContact O-N 3.16Å; E1211-K1214 WeakPolarHBondContact O-CB 3.05Å; E1211-K1214 PolarHBondContact O-N 3.09Å; E1211-I1215 PolarHBondContact O-N 2.91Å |
| 1212 | F | 67.4 | Low | 64.8 | Low | 60 Ų | 60 | 86.9 Ų | 86.9 | 26% | 0.263 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 177.1 | -76.7 | -64.2 | 0 | 0 | 0 | 112.2 | I1199 Y1208 K1214 I1215 E1216 | I1199-F1212 HydrophobicContact CD1-CD1 4.22Å; I1199-F1212 HydrophobicContact CD1-CE1 3.53Å; I1199-F1212 HydrophobicContact CD1-CZ 4.04Å; I1199-F1212 HydrophobicContact CG2-CD2 4.33Å; I1199-F1212 HydrophobicContact CG2-CE1 4.04Å; I1199-F1212 HydrophobicContact CG2-CE2 3.79Å; I1199-F1212 HydrophobicContact CG2-CZ 3.65Å; Y1208-F1212 WeakPolarHBondContact O-CD2 3.45Å; Y1208-F1212 PolarHBondContact O-N 2.04Å; Y1208-F1212 VanDerWaalsContact O-N 3.08Å; F1212-K1214 PolarHBondContact O-N 3.15Å; F1212-K1214 VanDerWaalsContact O-N 3.11Å; F1212-I1215 HydrophobicContact CD1-CD1 4.41Å; F1212-I1215 WeakPolarHBondContact O-CB 3.07Å; F1212-I1215 PolarHBondContact O-N 3.41Å; F1212-E1216 PolarHBondContact O-N 2.85Å |
| 1213 | K | 72.1 | Confident | 65.7 | Low | 106 Ų | 106 | 86.4 Ų | 86.4 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -54.7 | -31.2 | 171.4 | -83.8 | 171.2 | 178 | 132.6 | 0 | 113.7 | D1209 N1217 | D1209-K1213 PolarHBondContact O-N 3.03Å; D1209-K1213 VanDerWaalsContact O-N 3.17Å; D1209-K1213 IonicContact OD2-NZ 3.24Å; D1209-K1213 PolarHBondContact OD2-NZ 2.9Å; K1213-N1217 WeakPolarHBondContact O-CB 3.38Å; K1213-N1217 PolarHBondContact O-N 3.18Å; K1213-N1217 VanDerWaalsContact O-N 3.16Å; K1213-N1217 PolarHBondContact O-ND2 2.86Å |
| 1214 | K | 76.1 | Confident | 66.9 | Low | 93 Ų | 93 | 89.7 Ų | 89.7 | 40% | 0.404 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -76.8 | -27.1 | 177.4 | -74.4 | 165.7 | -175.1 | 158.2 | 0 | 112.9 | E1210 E1211 F1212 | E1210-K1214 WeakPolarHBondContact O-CD 3.48Å; E1210-K1214 WeakPolarHBondContact O-CG 3.26Å; E1210-K1214 IonicContact OE1-NZ 3.63Å; E1210-K1214 PolarHBondContact OE1-NZ 2.91Å; E1210-K1214 IonicContact OE2-NZ 3.29Å; E1210-K1214 PolarHBondContact OE2-NZ 3.29Å; E1211-K1214 WeakPolarHBondContact O-CB 3.05Å; E1211-K1214 PolarHBondContact O-N 3.09Å; F1212-K1214 PolarHBondContact O-N 3.15Å; F1212-K1214 VanDerWaalsContact O-N 3.11Å |
| 1215 | I | 70 | Confident | 67.9 | Low | 48 Ų | 48 | 85.6 Ų | 85.6 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -75.3 | -49.1 | 173.1 | -66 | 169 | 0 | 0 | 0 | 109.4 | E1211 F1212 N1217 K1218 L1219 | E1211-I1215 PolarHBondContact O-N 2.91Å; F1212-I1215 HydrophobicContact CD1-CD1 4.41Å; F1212-I1215 WeakPolarHBondContact O-CB 3.07Å; F1212-I1215 PolarHBondContact O-N 3.41Å; I1215-N1217 PolarHBondContact O-N 2.77Å; I1215-K1218 WeakPolarHBondContact O-CB 3.49Å; I1215-K1218 PolarHBondContact O-N 2.95Å; I1215-L1219 HydrophobicContact CG2-CD1 3.82Å; I1215-L1219 HydrophobicContact CG2-CG 4.35Å; I1215-L1219 PolarHBondContact O-N 3.46Å |
| 1216 | E | 69 | Low | 68.9 | Low | 74 Ų | 74 | 85.1 Ų | 85.1 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.6 | -46.3 | -179.8 | -162.3 | -179.3 | -147.3 | 0 | 0 | 112.4 | F1212 K1218 L1219 S1220 | F1212-E1216 PolarHBondContact O-N 2.85Å; E1216-K1218 PolarHBondContact O-N 3.42Å; E1216-L1219 PolarHBondContact O-N 2.92Å; E1216-S1220 PolarHBondContact O-N 2.99Å |
| 1217 | N | 77.7 | Confident | 69.5 | Low | 107 Ų | 107 | 79.4 Ų | 79.4 | 57% | 0.572 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.8 | -39.9 | 174.2 | -81.4 | -60.4 | 0 | 0 | 0 | 113 | K1213 I1215 S1220 D1221 | K1213-N1217 WeakPolarHBondContact O-CB 3.38Å; K1213-N1217 PolarHBondContact O-N 3.18Å; K1213-N1217 VanDerWaalsContact O-N 3.16Å; K1213-N1217 PolarHBondContact O-ND2 2.86Å; I1215-N1217 PolarHBondContact O-N 2.77Å; N1217-S1220 WeakPolarHBondContact O-CB 3.5Å; N1217-S1220 PolarHBondContact O-N 3.49Å; N1217-D1221 PolarHBondContact O-N 2.97Å; N1217-D1221 VanDerWaalsContact O-N 3.11Å |
| 1218 | K | 74.6 | Confident | 69.8 | Low | 75 Ų | 75 | 79.2 Ų | 79.2 | 33% | 0.326 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 177.7 | -83.3 | -172.6 | 169.5 | -165 | 0 | 112.7 | I1215 E1216 S1220 D1221 I1222 L1246 | I1215-K1218 WeakPolarHBondContact O-CB 3.49Å; I1215-K1218 PolarHBondContact O-N 2.95Å; E1216-K1218 PolarHBondContact O-N 3.42Å; K1218-S1220 VanDerWaalsContact C-N 3.29Å; K1218-D1221 PolarHBondContact O-N 3.49Å; K1218-I1222 WeakPolarHBondContact O-CG1 3.28Å; K1218-I1222 PolarHBondContact O-N 3.27Å; K1218-L1246 HydrophobicContact CD-CD1 3.53Å |
| 1219 | L | 72.9 | Confident | 69.4 | Low | 10 Ų | 10 | 79.9 Ų | 79.9 | 5% | 0.052 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64 | -38.3 | 175.5 | -70.9 | 169.3 | 0 | 0 | 0 | 110.8 | L1192 I1215 E1216 I1222 K1223 | L1192-L1219 HydrophobicContact CB-CD1 3.99Å; L1192-L1219 HydrophobicContact CB-CD2 3.87Å; L1192-L1219 HydrophobicContact CD1-CD2 4.29Å; L1192-L1219 WeakPolarHBondContact O-CD1 3.31Å; I1215-L1219 HydrophobicContact CG2-CD1 3.82Å; I1215-L1219 HydrophobicContact CG2-CG 4.35Å; I1215-L1219 PolarHBondContact O-N 3.46Å; E1216-L1219 PolarHBondContact O-N 2.92Å; L1219-I1222 PolarHBondContact O-N 3.37Å; L1219-K1223 VanDerWaalsContact O-CB 3.32Å; L1219-K1223 WeakPolarHBondContact O-CB 3.34Å; L1219-K1223 PolarHBondContact O-N 2.93Å |
| 1220 | S | 74.8 | Confident | 69.3 | Low | 58 Ų | 58 | 82.9 Ų | 82.9 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 172 | -167.1 | 0 | 0 | 0 | 0 | 112.5 | E1216 N1217 K1218 I1222 K1223 K1224 | E1216-S1220 PolarHBondContact O-N 2.99Å; N1217-S1220 WeakPolarHBondContact O-CB 3.5Å; N1217-S1220 PolarHBondContact O-N 3.49Å; K1218-S1220 VanDerWaalsContact C-N 3.29Å; S1220-I1222 PolarHBondContact O-N 3.35Å; S1220-K1223 PolarHBondContact O-N 3.44Å; S1220-K1224 WeakPolarHBondContact O-CB 3.48Å; S1220-K1224 PolarHBondContact O-N 2.89Å |
| 1221 | D | 76.1 | Confident | 68.7 | Low | 96 Ų | 96 | 78.9 Ų | 78.9 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.8 | -84.9 | -19.2 | 0 | 0 | 0 | 112.9 | N1217 K1218 K1224 Q1225 | N1217-D1221 PolarHBondContact O-N 2.97Å; N1217-D1221 VanDerWaalsContact O-N 3.11Å; K1218-D1221 PolarHBondContact O-N 3.49Å; D1221-K1224 PolarHBondContact O-N 2.73Å; D1221-Q1225 WeakPolarHBondContact O-CG 3.47Å; D1221-Q1225 PolarHBondContact O-N 2.74Å |
| 1222 | I | 69.8 | Low | 68.6 | Low | 39 Ų | 39 | 78.8 Ų | 78.8 | 20% | 0.2 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 177 | -68.5 | 167.7 | 0 | 0 | 0 | 110.6 | K1218 L1219 S1220 K1224 Q1225 L1226 L1239 | K1218-I1222 WeakPolarHBondContact O-CG1 3.28Å; K1218-I1222 PolarHBondContact O-N 3.27Å; L1219-I1222 PolarHBondContact O-N 3.37Å; S1220-I1222 PolarHBondContact O-N 3.35Å; I1222-K1224 PolarHBondContact O-N 3.3Å; I1222-Q1225 PolarHBondContact O-N 3.34Å; I1222-Q1225 VanDerWaalsContact O-N 3.15Å; I1222-L1226 HydrophobicContact CG2-CD1 3.9Å; I1222-L1226 HydrophobicContact CG2-CG 4.39Å; I1222-L1226 WeakPolarHBondContact O-CG 3.48Å; I1222-L1226 PolarHBondContact O-N 3.27Å; I1222-L1239 HydrophobicContact CB-CD2 4.45Å; I1222-L1239 HydrophobicContact CG1-CD2 3.94Å; I1222-L1239 HydrophobicContact CG2-CD2 4.19Å |
| 1223 | K | 68.1 | Low | 68.4 | Low | 85 Ų | 85 | 80.3 Ų | 80.3 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.8 | -37.7 | 176.3 | -170.9 | 178.6 | -164.8 | 172.9 | 0 | 111.8 | Q1193 L1219 S1220 A1227 | Q1193-K1223 VanDerWaalsContact OE1-CD 3.31Å; L1219-K1223 VanDerWaalsContact O-CB 3.32Å; L1219-K1223 WeakPolarHBondContact O-CB 3.34Å; L1219-K1223 PolarHBondContact O-N 2.93Å; S1220-K1223 PolarHBondContact O-N 3.44Å; K1223-A1227 PolarHBondContact O-N 2.75Å |
| 1224 | K | 72.5 | Confident | 68.3 | Low | 141 Ų | 141 | 79.5 Ų | 79.5 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.6 | -43 | 175.9 | -163.5 | 177 | -176.3 | -179.7 | 0 | 112.3 | S1220 D1221 I1222 A1227 | S1220-K1224 WeakPolarHBondContact O-CB 3.48Å; S1220-K1224 PolarHBondContact O-N 2.89Å; D1221-K1224 PolarHBondContact O-N 2.73Å; I1222-K1224 PolarHBondContact O-N 3.3Å; K1224-A1227 PolarHBondContact O-N 2.8Å |
| 1225 | Q | 69.8 | Low | 67.7 | Low | 61 Ų | 61 | 77 Ų | 77 | 29% | 0.285 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 176.2 | -70.2 | 176.1 | 40.9 | 0 | 0 | 112.7 | D1221 I1222 A1227 E1228 | D1221-Q1225 WeakPolarHBondContact O-CG 3.47Å; D1221-Q1225 PolarHBondContact O-N 2.74Å; I1222-Q1225 PolarHBondContact O-N 3.34Å; I1222-Q1225 VanDerWaalsContact O-N 3.15Å; Q1225-A1227 PolarHBondContact O-N 3.05Å; Q1225-E1228 PolarHBondContact O-N 3.47Å |
| 1226 | L | 67.2 | Low | 67.5 | Low | 30 Ų | 30 | 78.2 Ų | 78.2 | 16% | 0.157 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.6 | -17.5 | 176.1 | -70.7 | 171.7 | 0 | 0 | 0 | 113.6 | L1185 A1189 I1222 | L1185-L1226 HydrophobicContact CB-CD1 4.32Å; L1185-L1226 HydrophobicContact CB-CD2 4.32Å; A1189-L1226 HydrophobicContact CB-CD1 4.18Å; I1222-L1226 HydrophobicContact CG2-CD1 3.9Å; I1222-L1226 HydrophobicContact CG2-CG 4.39Å; I1222-L1226 WeakPolarHBondContact O-CG 3.48Å; I1222-L1226 PolarHBondContact O-N 3.27Å |
| 1227 | A | 62.8 | Low | 67.7 | Low | 83 Ų | 83 | 79.3 Ų | 79.3 | 69% | 0.686 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1223 K1224 Q1225 | K1223-A1227 PolarHBondContact O-N 2.75Å; K1224-A1227 PolarHBondContact O-N 2.8Å; Q1225-A1227 PolarHBondContact O-N 3.05Å |
| 1228 | E | 62 | Low | 67.5 | Low | 128 Ų | 128 | 79.9 Ų | 79.9 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -87.3 | 122.9 | -178.5 | -69.5 | -175.7 | -173.7 | 0 | 0 | 111.5 | Q1225 N1230 V1231 | Q1225-E1228 PolarHBondContact O-N 3.47Å; E1228-N1230 PolarHBondContact O-N 3.01Å; E1228-V1231 WeakPolarHBondContact O-CG2 2.84Å |
| 1229 | A | 55.4 | Low | 67.1 | Low | 97 Ų | 97 | 77.7 Ų | 77.7 | 80% | 0.802 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -66.5 | 1.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1230 | N | 59.7 | Low | 67 | Low | 146 Ų | 146 | 84.1 Ų | 84.1 | 78% | 0.781 | 46% | 0.464 | S | S | * | . | trans | -117.6 | 43.6 | -173.9 | -75.8 | -26.2 | 0 | 0 | 0 | 112.7 | E1228 T1232 | E1228-N1230 PolarHBondContact O-N 3.01Å; N1230-T1232 PolarHBondContact O-N 3.08Å | ||
| 1231 | V | 57.1 | Low | 67.1 | Low | 38 Ų | 38 | 84.4 Ų | 84.4 | 23% | 0.23 | 47% | 0.471 | C | S | . | . | trans | -65.6 | 101.1 | 175.9 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | E1228 V1235 V1236 | E1228-V1231 WeakPolarHBondContact O-CG2 2.84Å; V1231-V1235 HydrophobicContact CG1-CB 4.25Å; V1231-V1235 HydrophobicContact CG1-CG1 4.15Å; V1231-V1236 HydrophobicContact CG1-CG2 3.83Å | ||
| 1232 | T | 65.1 | Low | 66.9 | Low | 79 Ų | 79 | 84.2 Ų | 84.2 | 49% | 0.485 | 47% | 0.467 | S | S | . | . | trans | -85.9 | 164.7 | 173.7 | 64 | 0 | 0 | 0 | 0 | 111.2 | N1230 D1234 V1235 V1236 | N1230-T1232 PolarHBondContact O-N 3.08Å; T1232-D1234 PolarHBondContact O-N 3.41Å; T1232-V1235 WeakPolarHBondContact O-CB 3.27Å; T1232-V1235 PolarHBondContact O-N 2.89Å; T1232-V1236 PolarHBondContact O-N 3.01Å; T1232-V1236 VanDerWaalsContact O-N 3.14Å | ||
| 1233 | S | 62.8 | Low | 66.6 | Low | 92 Ų | 92 | 85.1 Ų | 85.1 | 64% | 0.643 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.4 | -31.9 | 176.9 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | V1235 V1236 D1237 | S1233-V1235 VanDerWaalsContact C-N 3.28Å; S1233-V1235 PolarHBondContact O-N 3.33Å; S1233-V1236 WeakPolarHBondContact O-CB 3.34Å; S1233-V1236 PolarHBondContact O-N 2.86Å; S1233-V1236 VanDerWaalsContact O-N 3.15Å; S1233-D1237 PolarHBondContact O-N 3.39Å |
| 1234 | D | 70.4 | Confident | 66.9 | Low | 90 Ų | 90 | 84.5 Ų | 84.5 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.6 | -28 | 177.1 | -163.3 | 70.6 | 0 | 0 | 0 | 112.6 | T1232 K1238 | T1232-D1234 PolarHBondContact O-N 3.41Å; D1234-K1238 WeakPolarHBondContact O-CD 3.31Å; D1234-K1238 WeakPolarHBondContact O-CG 3.43Å; D1234-K1238 PolarHBondContact O-N 3.17Å; D1234-K1238 IonicContact OD2-NZ 3.04Å; D1234-K1238 PolarHBondContact OD2-NZ 3.46Å |
| 1235 | V | 64.9 | Low | 67 | Low | 39 Ų | 39 | 80.3 Ų | 80.3 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -75.3 | -41.9 | 170.4 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | V1231 T1232 S1233 D1237 K1238 L1239 | V1231-V1235 HydrophobicContact CG1-CB 4.25Å; V1231-V1235 HydrophobicContact CG1-CG1 4.15Å; T1232-V1235 WeakPolarHBondContact O-CB 3.27Å; T1232-V1235 PolarHBondContact O-N 2.89Å; S1233-V1235 VanDerWaalsContact C-N 3.28Å; S1233-V1235 PolarHBondContact O-N 3.33Å; V1235-D1237 PolarHBondContact O-N 3.32Å; V1235-K1238 PolarHBondContact O-N 3.43Å; V1235-L1239 HydrophobicContact CG1-CD1 4.03Å; V1235-L1239 WeakPolarHBondContact O-CB 3.1Å; V1235-L1239 WeakPolarHBondContact O-CG 3.49Å; V1235-L1239 PolarHBondContact O-N 2.95Å |
| 1236 | V | 64.6 | Low | 66.9 | Low | 75 Ų | 75 | 78.9 Ų | 78.9 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | V1231 T1232 S1233 K1238 L1239 K1240 | V1231-V1236 HydrophobicContact CG1-CG2 3.83Å; T1232-V1236 PolarHBondContact O-N 3.01Å; T1232-V1236 VanDerWaalsContact O-N 3.14Å; S1233-V1236 WeakPolarHBondContact O-CB 3.34Å; S1233-V1236 PolarHBondContact O-N 2.86Å; S1233-V1236 VanDerWaalsContact O-N 3.15Å; V1236-K1238 PolarHBondContact O-N 2.03Å; V1236-L1239 PolarHBondContact O-N 3.11Å; V1236-K1240 VanDerWaalsContact O-CB 3.31Å; V1236-K1240 WeakPolarHBondContact O-CB 3.08Å; V1236-K1240 PolarHBondContact O-N 3.19Å |
| 1237 | D | 73.4 | Confident | 67.1 | Low | 96 Ų | 96 | 81.3 Ų | 81.3 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 178.5 | -73.6 | -34 | 0 | 0 | 0 | 112.3 | S1233 V1235 K1240 A1241 | S1233-D1237 PolarHBondContact O-N 3.39Å; V1235-D1237 PolarHBondContact O-N 3.32Å; D1237-K1240 PolarHBondContact O-N 3.43Å; D1237-A1241 PolarHBondContact O-N 3.04Å |
| 1238 | K | 74.1 | Confident | 67.7 | Low | 120 Ų | 120 | 80.2 Ų | 80.2 | 52% | 0.522 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 172.5 | -79.1 | 167.5 | -178.9 | 144.3 | 0 | 112.6 | D1234 V1235 V1236 K1240 A1241 Q1242 | D1234-K1238 WeakPolarHBondContact O-CD 3.31Å; D1234-K1238 WeakPolarHBondContact O-CG 3.43Å; D1234-K1238 PolarHBondContact O-N 3.17Å; D1234-K1238 IonicContact OD2-NZ 3.04Å; D1234-K1238 PolarHBondContact OD2-NZ 3.46Å; V1235-K1238 PolarHBondContact O-N 3.43Å; V1236-K1238 PolarHBondContact O-N 2.03Å; K1238-K1240 VanDerWaalsContact C-N 3.28Å; K1238-K1240 PolarHBondContact O-N 2.67Å; K1238-A1241 PolarHBondContact O-N 2.74Å; K1238-Q1242 WeakPolarHBondContact O-CG 3.42Å; K1238-Q1242 PolarHBondContact O-N 3.25Å |
| 1239 | L | 64.8 | Low | 68.3 | Low | 29 Ų | 29 | 81.3 Ų | 81.3 | 15% | 0.152 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60 | -41 | 174.4 | -78.1 | 167 | 0 | 0 | 0 | 110.9 | I1222 V1235 V1236 A1241 Q1242 S1243 | I1222-L1239 HydrophobicContact CB-CD2 4.45Å; I1222-L1239 HydrophobicContact CG1-CD2 3.94Å; I1222-L1239 HydrophobicContact CG2-CD2 4.19Å; V1235-L1239 HydrophobicContact CG1-CD1 4.03Å; V1235-L1239 WeakPolarHBondContact O-CB 3.1Å; V1235-L1239 WeakPolarHBondContact O-CG 3.49Å; V1235-L1239 PolarHBondContact O-N 2.95Å; V1236-L1239 PolarHBondContact O-N 3.11Å; L1239-A1241 PolarHBondContact O-N 3.03Å; L1239-Q1242 PolarHBondContact O-N 3.48Å; L1239-S1243 PolarHBondContact O-N 2.02Å |
| 1240 | K | 72 | Confident | 68.9 | Low | 144 Ų | 144 | 80.3 Ų | 80.3 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 175.9 | -158.9 | 171.4 | -170.3 | 173.9 | 0 | 112.1 | V1236 D1237 K1238 S1243 S1244 | V1236-K1240 VanDerWaalsContact O-CB 3.31Å; V1236-K1240 WeakPolarHBondContact O-CB 3.08Å; V1236-K1240 PolarHBondContact O-N 3.19Å; D1237-K1240 PolarHBondContact O-N 3.43Å; K1238-K1240 VanDerWaalsContact C-N 3.28Å; K1238-K1240 PolarHBondContact O-N 2.67Å; K1240-S1243 WeakPolarHBondContact O-CB 3.49Å; K1240-S1243 PolarHBondContact O-N 2.83Å; K1240-S1244 PolarHBondContact O-N 3.47Å; K1240-S1244 PolarHBondContact O-OG 2.81Å |
| 1241 | A | 75.8 | Confident | 69.7 | Low | 65 Ų | 65 | 80.2 Ų | 80.2 | 54% | 0.537 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1237 K1238 L1239 A1245 | D1237-A1241 PolarHBondContact O-N 3.04Å; K1238-A1241 PolarHBondContact O-N 2.74Å; L1239-A1241 PolarHBondContact O-N 3.03Å; A1241-A1245 PolarHBondContact O-N 2.74Å |
| 1242 | Q | 72.9 | Confident | 70.6 | Confident | 91 Ų | 91 | 83.3 Ų | 83.3 | 43% | 0.425 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69 | -37.8 | 174.4 | -74.1 | -176.3 | -26.2 | 0 | 0 | 112.5 | K1238 L1239 A1245 L1246 | K1238-Q1242 WeakPolarHBondContact O-CG 3.42Å; K1238-Q1242 PolarHBondContact O-N 3.25Å; L1239-Q1242 PolarHBondContact O-N 3.48Å; Q1242-A1245 PolarHBondContact O-N 3.09Å; Q1242-L1246 PolarHBondContact O-N 3.25Å; Q1242-L1246 VanDerWaalsContact O-N 3.11Å |
| 1243 | S | 62.8 | Low | 70.8 | Confident | 59 Ų | 59 | 82.9 Ų | 82.9 | 41% | 0.413 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.5 | -53.5 | 173.1 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | L1239 K1240 A1245 L1246 D1247 | L1239-S1243 PolarHBondContact O-N 2.02Å; K1240-S1243 WeakPolarHBondContact O-CB 3.49Å; K1240-S1243 PolarHBondContact O-N 2.83Å; S1243-A1245 PolarHBondContact O-N 2.83Å; S1243-A1245 VanDerWaalsContact O-N 3.13Å; S1243-L1246 CarbonylContact O-C 3.51Å; S1243-L1246 WeakPolarHBondContact O-CA 3.3Å; S1243-L1246 VanDerWaalsContact O-CB 3.26Å; S1243-L1246 WeakPolarHBondContact O-CB 3.2Å; S1243-L1246 PolarHBondContact O-N 2.85Å; S1243-D1247 VanDerWaalsContact O-CG 3.22Å; S1243-D1247 PolarHBondContact O-N 2.74Å; S1243-D1247 VanDerWaalsContact O-OD2 3.13Å |
| 1244 | S | 74.7 | Confident | 71.1 | Confident | 71 Ų | 71 | 82.8 Ų | 82.8 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60 | -29 | 179.5 | -56.5 | 0 | 0 | 0 | 0 | 113.7 | K1240 D1247 A1248 | K1240-S1244 PolarHBondContact O-N 3.47Å; K1240-S1244 PolarHBondContact O-OG 2.81Å; S1244-D1247 WeakPolarHBondContact CA-OD2 3.31Å; S1244-A1248 PolarHBondContact O-N 2.96Å |
| 1245 | A | 75.4 | Confident | 71.3 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 44% | 0.438 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -78.9 | -18.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1241 Q1242 S1243 | A1241-A1245 PolarHBondContact O-N 2.74Å; Q1242-A1245 PolarHBondContact O-N 3.09Å; S1243-A1245 PolarHBondContact O-N 2.83Å; S1243-A1245 VanDerWaalsContact O-N 3.13Å |
| 1246 | L | 67.4 | Low | 71.8 | Confident | 32 Ų | 32 | 85.9 Ų | 85.9 | 17% | 0.168 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -81.9 | -47 | 170.1 | -145.1 | 76.5 | 0 | 0 | 0 | 110.3 | K1218 Q1242 S1243 A1248 R1249 I1250 | K1218-L1246 HydrophobicContact CD-CD1 3.53Å; Q1242-L1246 PolarHBondContact O-N 3.25Å; Q1242-L1246 VanDerWaalsContact O-N 3.11Å; S1243-L1246 CarbonylContact O-C 3.51Å; S1243-L1246 WeakPolarHBondContact O-CA 3.3Å; S1243-L1246 VanDerWaalsContact O-CB 3.26Å; S1243-L1246 WeakPolarHBondContact O-CB 3.2Å; S1243-L1246 PolarHBondContact O-N 2.85Å; L1246-A1248 VanDerWaalsContact C-N 3.32Å; L1246-A1248 PolarHBondContact O-N 3.4Å; L1246-R1249 WeakPolarHBondContact O-CA 3.05Å; L1246-R1249 WeakPolarHBondContact O-CB 3.41Å; L1246-R1249 PolarHBondContact O-N 2.97Å; L1246-I1250 HydrophobicContact CD2-CD1 4.41Å; L1246-I1250 HydrophobicContact CG-CD1 4.31Å; L1246-I1250 WeakPolarHBondContact O-CG1 2.79Å; L1246-I1250 PolarHBondContact O-N 2.78Å |
| 1247 | D | 70.4 | Confident | 71.8 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 43% | 0.428 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -52.1 | -49.6 | 176.7 | -58 | -34.2 | 0 | 0 | 0 | 110.9 | S1243 S1244 R1249 I1250 E1251 | S1243-D1247 VanDerWaalsContact O-CG 3.22Å; S1243-D1247 PolarHBondContact O-N 2.74Å; S1243-D1247 VanDerWaalsContact O-OD2 3.13Å; S1244-D1247 WeakPolarHBondContact CA-OD2 3.31Å; D1247-R1249 PolarHBondContact O-N 3.2Å; D1247-I1250 PolarHBondContact O-N 2.62Å; D1247-I1250 VanDerWaalsContact O-N 3.09Å; D1247-E1251 PolarHBondContact O-N 3.27Å |
| 1248 | A | 75.6 | Confident | 71.5 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 50% | 0.504 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -22.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1244 L1246 | S1244-A1248 PolarHBondContact O-N 2.96Å; L1246-A1248 VanDerWaalsContact C-N 3.32Å; L1246-A1248 PolarHBondContact O-N 3.4Å |
| 1249 | R | 75.5 | Confident | 71.5 | Confident | 151 Ų | 151 | 85.1 Ų | 85.1 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -82.3 | -39.8 | 171.3 | -91.8 | -173 | 173.6 | -173.5 | -1.6 | 111.7 | L1246 D1247 N1252 I1253 | L1246-R1249 WeakPolarHBondContact O-CA 3.05Å; L1246-R1249 WeakPolarHBondContact O-CB 3.41Å; L1246-R1249 PolarHBondContact O-N 2.97Å; D1247-R1249 PolarHBondContact O-N 3.2Å; R1249-N1252 WeakPolarHBondContact O-CB 3.02Å; R1249-N1252 PolarHBondContact O-N 2.92Å; R1249-I1253 WeakPolarHBondContact O-CG1 3.31Å; R1249-I1253 PolarHBondContact O-N 2.71Å |
| 1250 | I | 68.3 | Low | 71.6 | Confident | 76 Ų | 76 | 88 Ų | 88 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.2 | -68 | 166.8 | 0 | 0 | 0 | 109.6 | L1246 D1247 N1252 I1253 L1254 | L1246-I1250 HydrophobicContact CD2-CD1 4.41Å; L1246-I1250 HydrophobicContact CG-CD1 4.31Å; L1246-I1250 WeakPolarHBondContact O-CG1 2.79Å; L1246-I1250 PolarHBondContact O-N 2.78Å; D1247-I1250 PolarHBondContact O-N 2.62Å; D1247-I1250 VanDerWaalsContact O-N 3.09Å; I1250-N1252 VanDerWaalsContact C-N 3.29Å; I1250-N1252 PolarHBondContact O-N 2.78Å; I1250-I1253 PolarHBondContact O-N 3.22Å; I1250-L1254 HydrophobicContact CG2-CD1 3.79Å; I1250-L1254 HydrophobicContact CG2-CG 4.26Å; I1250-L1254 WeakPolarHBondContact O-CB 2.99Å; I1250-L1254 WeakPolarHBondContact O-CG 3.41Å; I1250-L1254 PolarHBondContact O-N 2.91Å |
| 1251 | E | 74.5 | Confident | 71 | Confident | 144 Ų | 144 | 85.4 Ų | 85.4 | 67% | 0.673 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -57 | -39.1 | 173.1 | -76.5 | -163.1 | 156.7 | 0 | 0 | 113 | D1247 A1255 | D1247-E1251 PolarHBondContact O-N 3.27Å; E1251-A1255 WeakPolarHBondContact O-CB 3.44Å; E1251-A1255 PolarHBondContact O-N 3.4Å |
| 1252 | N | 76 | Confident | 70.7 | Confident | 102 Ų | 102 | 87 Ų | 87 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 178.5 | -165.8 | -80.4 | 0 | 0 | 0 | 112.2 | R1249 I1250 A1255 R1256 | R1249-N1252 WeakPolarHBondContact O-CB 3.02Å; R1249-N1252 PolarHBondContact O-N 2.92Å; I1250-N1252 VanDerWaalsContact C-N 3.29Å; I1250-N1252 PolarHBondContact O-N 2.78Å; N1252-A1255 PolarHBondContact O-N 2.86Å; N1252-R1256 PolarHBondContact O-N 2.77Å |
| 1253 | I | 69.9 | Low | 70.6 | Confident | 70 Ų | 70 | 92.4 Ų | 92.4 | 36% | 0.359 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 176.5 | -67.2 | 168.7 | 0 | 0 | 0 | 110.2 | R1249 I1250 A1255 R1256 L1257 | R1249-I1253 WeakPolarHBondContact O-CG1 3.31Å; R1249-I1253 PolarHBondContact O-N 2.71Å; I1250-I1253 PolarHBondContact O-N 3.22Å; I1253-A1255 VanDerWaalsContact C-N 3.34Å; I1253-A1255 PolarHBondContact O-N 3.01Å; I1253-R1256 PolarHBondContact O-N 2.7Å; I1253-R1256 VanDerWaalsContact O-N 3.16Å; I1253-L1257 HydrophobicContact CG2-CD1 4.01Å; I1253-L1257 PolarHBondContact O-N 3.33Å |
| 1254 | L | 69.5 | Low | 70.5 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 173.1 | -73.2 | 170.6 | 0 | 0 | 0 | 112.2 | I1250 R1256 L1257 N1258 | I1250-L1254 HydrophobicContact CG2-CD1 3.79Å; I1250-L1254 HydrophobicContact CG2-CG 4.26Å; I1250-L1254 WeakPolarHBondContact O-CB 2.99Å; I1250-L1254 WeakPolarHBondContact O-CG 3.41Å; I1250-L1254 PolarHBondContact O-N 2.91Å; L1254-R1256 VanDerWaalsContact C-N 3.32Å; L1254-R1256 PolarHBondContact O-N 3.16Å; L1254-L1257 PolarHBondContact O-N 3.49Å; L1254-N1258 WeakPolarHBondContact O-CB 3.13Å; L1254-N1258 PolarHBondContact O-N 3.28Å |
| 1255 | A | 74.8 | Confident | 69.9 | Low | 58 Ų | 58 | 92.6 Ų | 92.6 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1251 N1252 I1253 T1259 | E1251-A1255 WeakPolarHBondContact O-CB 3.44Å; E1251-A1255 PolarHBondContact O-N 3.4Å; N1252-A1255 PolarHBondContact O-N 2.86Å; I1253-A1255 VanDerWaalsContact C-N 3.34Å; I1253-A1255 PolarHBondContact O-N 3.01Å; A1255-T1259 PolarHBondContact O-N 2.95Å; A1255-T1259 PolarHBondContact O-OG1 3.21Å |
| 1256 | R | 75 | Confident | 69.5 | Low | 136 Ų | 136 | 93.8 Ų | 93.8 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 173.2 | -71.7 | 178.9 | 64.5 | -165.6 | -4.6 | 112 | N1252 I1253 L1254 T1259 V1260 | N1252-R1256 PolarHBondContact O-N 2.77Å; I1253-R1256 PolarHBondContact O-N 2.7Å; I1253-R1256 VanDerWaalsContact O-N 3.16Å; L1254-R1256 VanDerWaalsContact C-N 3.32Å; L1254-R1256 PolarHBondContact O-N 3.16Å; R1256-T1259 WeakPolarHBondContact CA-OG1 3.38Å; R1256-T1259 PolarHBondContact O-N 2.67Å; R1256-T1259 PolarHBondContact O-OG1 2.97Å; R1256-V1260 PolarHBondContact O-N 3.5Å |
| 1257 | L | 65.3 | Low | 69.4 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 43% | 0.429 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 173.3 | -80.2 | 162.1 | 0 | 0 | 0 | 111.1 | I1253 L1254 T1259 V1260 D1261 | I1253-L1257 HydrophobicContact CG2-CD1 4.01Å; I1253-L1257 PolarHBondContact O-N 3.33Å; L1254-L1257 PolarHBondContact O-N 3.49Å; L1257-T1259 PolarHBondContact O-N 2.68Å; L1257-V1260 CarbonylContact O-C 3.57Å; L1257-V1260 WeakPolarHBondContact O-CA 3.36Å; L1257-V1260 WeakPolarHBondContact O-CB 3.41Å; L1257-V1260 PolarHBondContact O-N 3.16Å; L1257-D1261 WeakPolarHBondContact O-CB 3.43Å; L1257-D1261 PolarHBondContact O-N 2.75Å |
| 1258 | N | 67.1 | Low | 69.1 | Low | 101 Ų | 101 | 97 Ų | 97 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.1 | -30.2 | 174.4 | -78.2 | -9.5 | 0 | 0 | 0 | 113.3 | L1254 V1262 | L1254-N1258 WeakPolarHBondContact O-CB 3.13Å; L1254-N1258 PolarHBondContact O-N 3.28Å; N1258-V1262 VanDerWaalsContact O-CG2 3.32Å; N1258-V1262 WeakPolarHBondContact O-CG2 3.39Å; N1258-V1262 PolarHBondContact O-N 3.26Å |
| 1259 | T | 74.3 | Confident | 68.7 | Low | 92 Ų | 92 | 96.5 Ų | 96.5 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -76.5 | -27 | 175 | 1.4 | 0 | 0 | 0 | 0 | 113 | A1255 R1256 L1257 | A1255-T1259 PolarHBondContact O-N 2.95Å; A1255-T1259 PolarHBondContact O-OG1 3.21Å; R1256-T1259 WeakPolarHBondContact CA-OG1 3.38Å; R1256-T1259 PolarHBondContact O-N 2.67Å; R1256-T1259 PolarHBondContact O-OG1 2.97Å; L1257-T1259 PolarHBondContact O-N 2.68Å |
| 1260 | V | 66.9 | Low | 68.5 | Low | 89 Ų | 89 | 92.5 Ų | 92.5 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.8 | -40.4 | 170.1 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | R1256 L1257 R1263 S1264 | R1256-V1260 PolarHBondContact O-N 3.5Å; L1257-V1260 CarbonylContact O-C 3.57Å; L1257-V1260 WeakPolarHBondContact O-CA 3.36Å; L1257-V1260 WeakPolarHBondContact O-CB 3.41Å; L1257-V1260 PolarHBondContact O-N 3.16Å; V1260-R1263 CarbonylContact O-C 3.59Å; V1260-R1263 WeakPolarHBondContact O-CA 3.27Å; V1260-R1263 WeakPolarHBondContact O-CB 3.12Å; V1260-R1263 PolarHBondContact O-N 2.87Å; V1260-R1263 VanDerWaalsContact O-N 3.09Å; V1260-S1264 WeakPolarHBondContact O-CB 3.47Å; V1260-S1264 PolarHBondContact O-N 3.34Å |
| 1261 | D | 58.5 | Low | 68.4 | Low | 91 Ų | 91 | 92.3 Ų | 92.3 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.8 | -173.5 | 57.7 | 0 | 0 | 0 | 112.9 | L1257 R1263 S1264 T1265 | L1257-D1261 WeakPolarHBondContact O-CB 3.43Å; L1257-D1261 PolarHBondContact O-N 2.75Å; D1261-R1263 VanDerWaalsContact C-N 3.29Å; D1261-R1263 PolarHBondContact O-N 3.27Å; D1261-S1264 CarbonylContact O-C 3.54Å; D1261-S1264 WeakPolarHBondContact O-CB 3.49Å; D1261-S1264 PolarHBondContact O-N 2.93Å; D1261-S1264 VanDerWaalsContact O-N 3.13Å; D1261-T1265 PolarHBondContact O-N 2.83Å; D1261-T1265 PolarHBondContact O-OG1 2.04Å |
| 1262 | V | 70.7 | Confident | 67.8 | Low | 99 Ų | 99 | 89.3 Ų | 89.3 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -31.7 | 172.1 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | N1258 T1265 S1266 | N1258-V1262 VanDerWaalsContact O-CG2 3.32Å; N1258-V1262 WeakPolarHBondContact O-CG2 3.39Å; N1258-V1262 PolarHBondContact O-N 3.26Å; V1262-T1265 WeakPolarHBondContact CA-OG1 3.41Å; V1262-T1265 PolarHBondContact O-OG1 3.37Å; V1262-S1266 WeakPolarHBondContact O-CB 3.34Å; V1262-S1266 PolarHBondContact O-N 3.48Å |
| 1263 | R | 70.4 | Confident | 67.6 | Low | 203 Ų | 203 | 87.6 Ų | 87.6 | 77% | 0.766 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -75.8 | -34.7 | 171 | -86.6 | -176.8 | 168.3 | -179 | -3.4 | 112.1 | V1260 D1261 S1266 L1267 | V1260-R1263 CarbonylContact O-C 3.59Å; V1260-R1263 WeakPolarHBondContact O-CA 3.27Å; V1260-R1263 WeakPolarHBondContact O-CB 3.12Å; V1260-R1263 PolarHBondContact O-N 2.87Å; V1260-R1263 VanDerWaalsContact O-N 3.09Å; D1261-R1263 VanDerWaalsContact C-N 3.29Å; D1261-R1263 PolarHBondContact O-N 3.27Å; R1263-S1266 PolarHBondContact O-N 2.87Å; R1263-L1267 WeakPolarHBondContact O-CB 3.27Å; R1263-L1267 PolarHBondContact O-N 3.36Å |
| 1264 | S | 60 | Low | 67.6 | Low | 58 Ų | 58 | 86.4 Ų | 86.4 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -57 | 176 | -160.6 | 0 | 0 | 0 | 0 | 108.7 | V1260 D1261 S1266 L1267 T1268 | V1260-S1264 WeakPolarHBondContact O-CB 3.47Å; V1260-S1264 PolarHBondContact O-N 3.34Å; D1261-S1264 CarbonylContact O-C 3.54Å; D1261-S1264 WeakPolarHBondContact O-CB 3.49Å; D1261-S1264 PolarHBondContact O-N 2.93Å; D1261-S1264 VanDerWaalsContact O-N 3.13Å; S1264-S1266 VanDerWaalsContact C-N 3.3Å; S1264-S1266 PolarHBondContact O-N 2.85Å; S1264-L1267 CarbonylContact O-C 3.52Å; S1264-L1267 WeakPolarHBondContact O-CA 3.22Å; S1264-L1267 WeakPolarHBondContact O-CB 3.39Å; S1264-L1267 PolarHBondContact O-N 2.87Å; S1264-T1268 PolarHBondContact O-N 2.81Å; S1264-T1268 PolarHBondContact O-OG1 2.72Å |
| 1265 | T | 61.7 | Low | 67.3 | Low | 77 Ų | 77 | 87 Ų | 87 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.4 | -34.4 | 176.3 | 44.1 | 0 | 0 | 0 | 0 | 114.2 | D1261 V1262 A1269 | D1261-T1265 PolarHBondContact O-N 2.83Å; D1261-T1265 PolarHBondContact O-OG1 2.04Å; V1262-T1265 WeakPolarHBondContact CA-OG1 3.41Å; V1262-T1265 PolarHBondContact O-OG1 3.37Å; T1265-A1269 WeakPolarHBondContact O-CB 3.28Å; T1265-A1269 PolarHBondContact O-N 2.82Å |
| 1266 | S | 66.7 | Low | 66.8 | Low | 77 Ų | 77 | 90 Ų | 90 | 54% | 0.538 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.7 | -31.1 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 113.3 | V1262 R1263 S1264 S1270 | V1262-S1266 WeakPolarHBondContact O-CB 3.34Å; V1262-S1266 PolarHBondContact O-N 3.48Å; R1263-S1266 PolarHBondContact O-N 2.87Å; S1264-S1266 VanDerWaalsContact C-N 3.3Å; S1264-S1266 PolarHBondContact O-N 2.85Å; S1266-S1270 PolarHBondContact O-N 3.34Å; S1266-S1270 PolarHBondContact O-OG 3.47Å |
| 1267 | L | 66.2 | Low | 66.8 | Low | 117 Ų | 117 | 90 Ų | 90 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -78.4 | -40.9 | 174.5 | -163.4 | 72.7 | 0 | 0 | 0 | 110.3 | R1263 S1264 S1270 V1271 | R1263-L1267 WeakPolarHBondContact O-CB 3.27Å; R1263-L1267 PolarHBondContact O-N 3.36Å; S1264-L1267 CarbonylContact O-C 3.52Å; S1264-L1267 WeakPolarHBondContact O-CA 3.22Å; S1264-L1267 WeakPolarHBondContact O-CB 3.39Å; S1264-L1267 PolarHBondContact O-N 2.87Å; L1267-S1270 CarbonylContact O-C 3.02Å; L1267-S1270 WeakPolarHBondContact O-CA 3.37Å; L1267-S1270 WeakPolarHBondContact O-CB 3.44Å; L1267-S1270 PolarHBondContact O-N 2.89Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.19Å; L1267-V1271 PolarHBondContact O-N 3.27Å |
| 1268 | T | 64.6 | Low | 67 | Low | 62 Ų | 62 | 90.3 Ų | 90.3 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.1 | -54.7 | 170.9 | -51 | 0 | 0 | 0 | 0 | 109.4 | S1264 S1270 V1271 D1272 | S1264-T1268 PolarHBondContact O-N 2.81Å; S1264-T1268 PolarHBondContact O-OG1 2.72Å; T1268-S1270 PolarHBondContact O-N 3.45Å; T1268-V1271 CarbonylContact O-C 3.49Å; T1268-V1271 VanDerWaalsContact O-CA 3.31Å; T1268-V1271 WeakPolarHBondContact O-CA 3.37Å; T1268-V1271 WeakPolarHBondContact O-CB 3.33Å; T1268-V1271 PolarHBondContact O-N 3.23Å; T1268-D1272 WeakPolarHBondContact CG2-OD1 3.48Å; T1268-D1272 PolarHBondContact O-N 2.89Å; T1268-D1272 VanDerWaalsContact O-OD1 3.05Å |
| 1269 | A | 66.1 | Low | 67 | Low | 52 Ų | 52 | 91.5 Ų | 91.5 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.5 | -25 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1265 D1272 T1273 | T1265-A1269 WeakPolarHBondContact O-CB 3.28Å; T1265-A1269 PolarHBondContact O-N 2.82Å; A1269-D1272 WeakPolarHBondContact CA-OD2 3.31Å; A1269-T1273 PolarHBondContact O-N 2.64Å; A1269-T1273 PolarHBondContact O-OG1 2.99Å |
| 1270 | S | 71.6 | Confident | 67 | Low | 66 Ų | 66 | 90.5 Ų | 90.5 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -84.2 | -25.4 | 173 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | S1266 L1267 T1268 T1273 A1274 | S1266-S1270 PolarHBondContact O-N 3.34Å; S1266-S1270 PolarHBondContact O-OG 3.47Å; L1267-S1270 CarbonylContact O-C 3.02Å; L1267-S1270 WeakPolarHBondContact O-CA 3.37Å; L1267-S1270 WeakPolarHBondContact O-CB 3.44Å; L1267-S1270 PolarHBondContact O-N 2.89Å; T1268-S1270 PolarHBondContact O-N 3.45Å; S1270-T1273 WeakPolarHBondContact CA-OG1 3.37Å; S1270-A1274 VanDerWaalsContact O-CB 3.22Å; S1270-A1274 WeakPolarHBondContact O-CB 3.27Å; S1270-A1274 PolarHBondContact O-N 3.24Å; S1270-A1274 VanDerWaalsContact O-N 3.09Å |
| 1271 | V | 67.5 | Low | 67.4 | Low | 72 Ų | 72 | 90.6 Ų | 90.6 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -77.4 | -45.1 | 170.7 | 169 | 0 | 0 | 0 | 0 | 109.1 | L1267 T1268 T1273 A1274 E1275 | L1267-V1271 WeakPolarHBondContact O-CG2 3.19Å; L1267-V1271 PolarHBondContact O-N 3.27Å; T1268-V1271 CarbonylContact O-C 3.49Å; T1268-V1271 VanDerWaalsContact O-CA 3.31Å; T1268-V1271 WeakPolarHBondContact O-CA 3.37Å; T1268-V1271 WeakPolarHBondContact O-CB 3.33Å; T1268-V1271 PolarHBondContact O-N 3.23Å; V1271-T1273 VanDerWaalsContact C-N 3.34Å; V1271-T1273 PolarHBondContact O-N 2.03Å; V1271-A1274 CarbonylContact O-C 3.5Å; V1271-A1274 VanDerWaalsContact O-C 3.29Å; V1271-A1274 WeakPolarHBondContact O-CA 3.43Å; V1271-A1274 WeakPolarHBondContact O-CB 3.22Å; V1271-A1274 PolarHBondContact O-N 3.37Å; V1271-E1275 WeakPolarHBondContact O-CB 3.17Å; V1271-E1275 PolarHBondContact O-N 3.36Å |
| 1272 | D | 61.1 | Low | 68 | Low | 81 Ų | 81 | 94.2 Ų | 94.2 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 174 | -51.7 | -17.7 | 0 | 0 | 0 | 111.1 | T1268 A1269 E1275 E1276 | T1268-D1272 WeakPolarHBondContact CG2-OD1 3.48Å; T1268-D1272 PolarHBondContact O-N 2.89Å; T1268-D1272 VanDerWaalsContact O-OD1 3.05Å; A1269-D1272 WeakPolarHBondContact CA-OD2 3.31Å; D1272-E1275 CarbonylContact O-C 3.09Å; D1272-E1275 PolarHBondContact O-N 3.06Å; D1272-E1276 WeakPolarHBondContact O-CB 3.36Å; D1272-E1276 PolarHBondContact O-N 2.91Å |
| 1273 | T | 71.9 | Confident | 68 | Low | 66 Ų | 66 | 94.7 Ų | 94.7 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -77.2 | -20.9 | 173.1 | 42.1 | 0 | 0 | 0 | 0 | 113.5 | A1269 S1270 V1271 H1277 | A1269-T1273 PolarHBondContact O-N 2.64Å; A1269-T1273 PolarHBondContact O-OG1 2.99Å; S1270-T1273 WeakPolarHBondContact CA-OG1 3.37Å; V1271-T1273 VanDerWaalsContact C-N 3.34Å; V1271-T1273 PolarHBondContact O-N 2.03Å; T1273-H1277 WeakPolarHBondContact O-CB 3.21Å; T1273-H1277 VanDerWaalsContact O-CG 3.32Å; T1273-H1277 PolarHBondContact O-N 3.49Å; T1273-H1277 PolarHBondContact O-ND1 3.11Å |
| 1274 | A | 69.8 | Low | 68.3 | Low | 45 Ų | 45 | 90.6 Ų | 90.6 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.5 | -24.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1270 V1271 L1278 | S1270-A1274 VanDerWaalsContact O-CB 3.22Å; S1270-A1274 WeakPolarHBondContact O-CB 3.27Å; S1270-A1274 PolarHBondContact O-N 3.24Å; S1270-A1274 VanDerWaalsContact O-N 3.09Å; V1271-A1274 CarbonylContact O-C 3.5Å; V1271-A1274 VanDerWaalsContact O-C 3.29Å; V1271-A1274 WeakPolarHBondContact O-CA 3.43Å; V1271-A1274 WeakPolarHBondContact O-CB 3.22Å; V1271-A1274 PolarHBondContact O-N 3.37Å; A1274-L1278 WeakPolarHBondContact O-CA 3.42Å; A1274-L1278 WeakPolarHBondContact O-CB 3.38Å; A1274-L1278 WeakPolarHBondContact O-CD1 3.23Å; A1274-L1278 WeakPolarHBondContact O-CG 3.18Å; A1274-L1278 PolarHBondContact O-N 3.28Å |
| 1275 | E | 62.3 | Low | 68.9 | Low | 104 Ų | 104 | 91.7 Ų | 91.7 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -77.8 | -44.5 | 174.2 | -101.9 | -178.3 | 154.4 | 0 | 0 | 109.9 | V1271 D1272 H1277 L1278 E1279 | V1271-E1275 WeakPolarHBondContact O-CB 3.17Å; V1271-E1275 PolarHBondContact O-N 3.36Å; D1272-E1275 CarbonylContact O-C 3.09Å; D1272-E1275 PolarHBondContact O-N 3.06Å; E1275-H1277 VanDerWaalsContact C-N 3.3Å; E1275-H1277 PolarHBondContact O-N 3.07Å; E1275-L1278 CarbonylContact O-C 3.48Å; E1275-L1278 WeakPolarHBondContact O-CA 3.39Å; E1275-L1278 PolarHBondContact O-N 2.76Å; E1275-E1279 WeakPolarHBondContact O-CA 3.47Å; E1275-E1279 WeakPolarHBondContact O-CB 3.49Å; E1275-E1279 PolarHBondContact O-N 2.8Å |
| 1276 | E | 64.3 | Low | 69.2 | Low | 121 Ų | 121 | 90.6 Ų | 90.6 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -40.9 | 170.4 | -172.5 | -179.1 | -158.1 | 0 | 0 | 110.9 | D1272 E1279 T1280 | D1272-E1276 WeakPolarHBondContact O-CB 3.36Å; D1272-E1276 PolarHBondContact O-N 2.91Å; E1276-E1279 PolarHBondContact O-N 3.21Å; E1276-T1280 WeakPolarHBondContact O-CB 3.38Å; E1276-T1280 PolarHBondContact O-N 3.49Å; E1276-T1280 PolarHBondContact O-OG1 3.38Å |
| 1277 | H | 75.6 | Confident | 69.6 | Low | 134 Ų | 134 | 93 Ų | 93 | 62% | 0.62 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.8 | -33.1 | 170.6 | -73.9 | 127.2 | 0 | 0 | 0 | 113.3 | T1273 E1275 E1279 L1281 | T1273-H1277 WeakPolarHBondContact O-CB 3.21Å; T1273-H1277 VanDerWaalsContact O-CG 3.32Å; T1273-H1277 PolarHBondContact O-N 3.49Å; T1273-H1277 PolarHBondContact O-ND1 3.11Å; E1275-H1277 VanDerWaalsContact C-N 3.3Å; E1275-H1277 PolarHBondContact O-N 3.07Å; H1277-E1279 VanDerWaalsContact C-N 3.33Å; H1277-L1281 WeakPolarHBondContact O-CB 3.24Å; H1277-L1281 PolarHBondContact O-N 2.95Å |
| 1278 | L | 69.1 | Low | 70 | Confident | 90 Ų | 90 | 92.5 Ų | 92.5 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.8 | -20.2 | 174.6 | -88 | 163.8 | 0 | 0 | 0 | 112.4 | A1274 E1275 R1282 | A1274-L1278 WeakPolarHBondContact O-CA 3.42Å; A1274-L1278 WeakPolarHBondContact O-CB 3.38Å; A1274-L1278 WeakPolarHBondContact O-CD1 3.23Å; A1274-L1278 WeakPolarHBondContact O-CG 3.18Å; A1274-L1278 PolarHBondContact O-N 3.28Å; E1275-L1278 CarbonylContact O-C 3.48Å; E1275-L1278 WeakPolarHBondContact O-CA 3.39Å; E1275-L1278 PolarHBondContact O-N 2.76Å; L1278-R1282 WeakPolarHBondContact O-CA 3.38Å; L1278-R1282 WeakPolarHBondContact O-CB 3.26Å; L1278-R1282 WeakPolarHBondContact O-CG 3.21Å; L1278-R1282 PolarHBondContact O-N 3.04Å |
| 1279 | E | 67.9 | Low | 70.2 | Confident | 126 Ų | 126 | 94.9 Ų | 94.9 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -82.8 | -46.6 | 174.5 | -168.2 | 169.4 | -124.7 | 0 | 0 | 107.9 | E1275 E1276 H1277 L1281 R1282 D1283 | E1275-E1279 WeakPolarHBondContact O-CA 3.47Å; E1275-E1279 WeakPolarHBondContact O-CB 3.49Å; E1275-E1279 PolarHBondContact O-N 2.8Å; E1276-E1279 PolarHBondContact O-N 3.21Å; H1277-E1279 VanDerWaalsContact C-N 3.33Å; E1279-L1281 VanDerWaalsContact C-N 3.32Å; E1279-L1281 PolarHBondContact O-N 3.41Å; E1279-R1282 CarbonylContact O-C 3.58Å; E1279-R1282 WeakPolarHBondContact O-CA 3.45Å; E1279-R1282 WeakPolarHBondContact O-CB 3.47Å; E1279-R1282 PolarHBondContact O-N 3.4Å; E1279-D1283 WeakPolarHBondContact O-CB 3.49Å; E1279-D1283 PolarHBondContact O-N 2.95Å |
| 1280 | T | 74.4 | Confident | 70.4 | Confident | 70 Ų | 70 | 95 Ų | 95 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 166.8 | -47.2 | 0 | 0 | 0 | 0 | 111.4 | E1276 D1283 E1284 | E1276-T1280 WeakPolarHBondContact O-CB 3.38Å; E1276-T1280 PolarHBondContact O-N 3.49Å; E1276-T1280 PolarHBondContact O-OG1 3.38Å; T1280-D1283 PolarHBondContact O-N 2.84Å; T1280-E1284 WeakPolarHBondContact O-CB 3.38Å; T1280-E1284 WeakPolarHBondContact O-CG 3.05Å; T1280-E1284 PolarHBondContact O-N 3.07Å |
| 1281 | L | 74.3 | Confident | 70.5 | Confident | 92 Ų | 92 | 95.7 Ų | 95.7 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.8 | -25.1 | 176.2 | -158.4 | 89.2 | 0 | 0 | 0 | 111.7 | H1277 E1279 V1285 | H1277-L1281 WeakPolarHBondContact O-CB 3.24Å; H1277-L1281 PolarHBondContact O-N 2.95Å; E1279-L1281 VanDerWaalsContact C-N 3.32Å; E1279-L1281 PolarHBondContact O-N 3.41Å; L1281-V1285 HydrophobicContact CG-CG2 4.39Å; L1281-V1285 WeakPolarHBondContact O-CA 3.47Å; L1281-V1285 WeakPolarHBondContact O-CB 3.12Å; L1281-V1285 WeakPolarHBondContact O-CG2 3.5Å; L1281-V1285 PolarHBondContact O-N 2.71Å |
| 1282 | R | 71.2 | Confident | 70.7 | Confident | 167 Ų | 167 | 95.3 Ų | 95.3 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74 | -34.7 | 170.6 | -93.7 | 170.8 | 170.7 | 148.9 | -5.1 | 110.8 | L1278 E1279 V1285 A1286 | L1278-R1282 WeakPolarHBondContact O-CA 3.38Å; L1278-R1282 WeakPolarHBondContact O-CB 3.26Å; L1278-R1282 WeakPolarHBondContact O-CG 3.21Å; L1278-R1282 PolarHBondContact O-N 3.04Å; E1279-R1282 CarbonylContact O-C 3.58Å; E1279-R1282 WeakPolarHBondContact O-CA 3.45Å; E1279-R1282 WeakPolarHBondContact O-CB 3.47Å; E1279-R1282 PolarHBondContact O-N 3.4Å; R1282-V1285 CarbonylContact O-C 3.58Å; R1282-V1285 PolarHBondContact O-N 2.63Å; R1282-A1286 WeakPolarHBondContact O-CA 3.36Å; R1282-A1286 WeakPolarHBondContact O-CB 3.22Å; R1282-A1286 PolarHBondContact O-N 2.74Å |
| 1283 | D | 72 | Confident | 70.9 | Confident | 108 Ų | 108 | 94 Ų | 94 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.5 | -42.9 | 175 | -77.1 | -9 | 0 | 0 | 0 | 109.9 | E1279 T1280 V1285 A1286 E1287 | E1279-D1283 WeakPolarHBondContact O-CB 3.49Å; E1279-D1283 PolarHBondContact O-N 2.95Å; T1280-D1283 PolarHBondContact O-N 2.84Å; D1283-V1285 VanDerWaalsContact C-N 3.34Å; D1283-A1286 CarbonylContact O-C 3.45Å; D1283-A1286 PolarHBondContact O-N 2.72Å; D1283-E1287 VanDerWaalsContact O-CB 3.23Å; D1283-E1287 WeakPolarHBondContact O-CB 3.05Å; D1283-E1287 PolarHBondContact O-N 3.48Å |
| 1284 | E | 75.3 | Confident | 70.6 | Confident | 118 Ų | 118 | 96.4 Ų | 96.4 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -35.5 | 169.7 | -75.5 | -175 | 178 | 0 | 0 | 111.6 | T1280 L1288 | T1280-E1284 WeakPolarHBondContact O-CB 3.38Å; T1280-E1284 WeakPolarHBondContact O-CG 3.05Å; T1280-E1284 PolarHBondContact O-N 3.07Å; E1284-L1288 WeakPolarHBondContact O-CA 3.39Å; E1284-L1288 WeakPolarHBondContact O-CB 3.26Å; E1284-L1288 PolarHBondContact O-N 2.9Å |
| 1285 | V | 72.6 | Confident | 70.6 | Confident | 80 Ų | 80 | 99.5 Ų | 99.5 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.7 | -21.4 | 172.9 | 169 | 0 | 0 | 0 | 0 | 111.6 | L1281 R1282 D1283 K1289 | L1281-V1285 HydrophobicContact CG-CG2 4.39Å; L1281-V1285 WeakPolarHBondContact O-CA 3.47Å; L1281-V1285 WeakPolarHBondContact O-CB 3.12Å; L1281-V1285 WeakPolarHBondContact O-CG2 3.5Å; L1281-V1285 PolarHBondContact O-N 2.71Å; R1282-V1285 CarbonylContact O-C 3.58Å; R1282-V1285 PolarHBondContact O-N 2.63Å; D1283-V1285 VanDerWaalsContact C-N 3.34Å; V1285-K1289 VanDerWaalsContact O-CA 3.29Å; V1285-K1289 WeakPolarHBondContact O-CA 3.1Å; V1285-K1289 WeakPolarHBondContact O-CB 3.06Å; V1285-K1289 PolarHBondContact O-N 3.07Å |
| 1286 | A | 69.7 | Low | 70.4 | Confident | 54 Ų | 54 | 99.4 Ų | 99.4 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -88.7 | -28.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1282 D1283 K1289 A1290 | R1282-A1286 WeakPolarHBondContact O-CA 3.36Å; R1282-A1286 WeakPolarHBondContact O-CB 3.22Å; R1282-A1286 PolarHBondContact O-N 2.74Å; D1283-A1286 CarbonylContact O-C 3.45Å; D1283-A1286 PolarHBondContact O-N 2.72Å; A1286-K1289 CarbonylContact O-C 3.48Å; A1286-A1290 WeakPolarHBondContact O-CA 3.11Å; A1286-A1290 WeakPolarHBondContact O-CB 3.49Å; A1286-A1290 PolarHBondContact O-N 3.03Å |
| 1287 | E | 73.8 | Confident | 69.9 | Low | 129 Ų | 129 | 99.7 Ų | 99.7 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -77.1 | -42 | 166.6 | -177.5 | 179.9 | -169.8 | 0 | 0 | 109.2 | D1283 K1289 A1290 N1291 | D1283-E1287 VanDerWaalsContact O-CB 3.23Å; D1283-E1287 WeakPolarHBondContact O-CB 3.05Å; D1283-E1287 PolarHBondContact O-N 3.48Å; E1287-K1289 VanDerWaalsContact C-N 3.32Å; E1287-A1290 PolarHBondContact O-N 3.45Å; E1287-N1291 WeakPolarHBondContact CG-ND2 3.47Å; E1287-N1291 WeakPolarHBondContact O-CB 3.32Å; E1287-N1291 VanDerWaalsContact O-CG 3.29Å; E1287-N1291 PolarHBondContact O-N 2.77Å; E1287-N1291 PolarHBondContact O-ND2 2.97Å |
| 1288 | L | 74.5 | Confident | 68.9 | Low | 106 Ų | 106 | 95.7 Ų | 95.7 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.6 | -33.4 | 170 | -176.7 | 63.6 | 0 | 0 | 0 | 110.7 | E1284 N1291 V1292 | E1284-L1288 WeakPolarHBondContact O-CA 3.39Å; E1284-L1288 WeakPolarHBondContact O-CB 3.26Å; E1284-L1288 PolarHBondContact O-N 2.9Å; L1288-N1291 CarbonylContact O-C 3.51Å; L1288-V1292 HydrophobicContact CD1-CG2 3.9Å; L1288-V1292 HydrophobicContact CG-CG2 4.12Å; L1288-V1292 WeakPolarHBondContact O-CA 3.48Å; L1288-V1292 WeakPolarHBondContact O-CB 3.1Å; L1288-V1292 WeakPolarHBondContact O-CG2 3.5Å; L1288-V1292 PolarHBondContact O-N 3.33Å |
| 1289 | K | 69.7 | Low | 68.3 | Low | 111 Ų | 111 | 93.9 Ų | 93.9 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.2 | -26 | 171.8 | 177.2 | 169.8 | 169 | 48.3 | 0 | 111.9 | V1285 A1286 E1287 D1293 | V1285-K1289 VanDerWaalsContact O-CA 3.29Å; V1285-K1289 WeakPolarHBondContact O-CA 3.1Å; V1285-K1289 WeakPolarHBondContact O-CB 3.06Å; V1285-K1289 PolarHBondContact O-N 3.07Å; A1286-K1289 CarbonylContact O-C 3.48Å; E1287-K1289 VanDerWaalsContact C-N 3.32Å; K1289-D1293 WeakPolarHBondContact CE-OD2 3.2Å; K1289-D1293 WeakPolarHBondContact CG-OD1 3.3Å; K1289-D1293 WeakPolarHBondContact CG-OD2 3.44Å; K1289-D1293 IonicContact NZ-OD1 3.26Å; K1289-D1293 PolarHBondContact NZ-OD1 3.33Å; K1289-D1293 IonicContact NZ-OD2 3.75Å; K1289-D1293 PolarHBondContact NZ-OD2 2.91Å; K1289-D1293 VanDerWaalsContact O-CA 3.29Å; K1289-D1293 WeakPolarHBondContact O-CA 3.42Å; K1289-D1293 WeakPolarHBondContact O-CB 3.04Å; K1289-D1293 PolarHBondContact O-N 3.43Å |
| 1290 | A | 69.2 | Low | 67.6 | Low | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.1 | -39.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A1286 E1287 E1294 | A1286-A1290 WeakPolarHBondContact O-CA 3.11Å; A1286-A1290 WeakPolarHBondContact O-CB 3.49Å; A1286-A1290 PolarHBondContact O-N 3.03Å; E1287-A1290 PolarHBondContact O-N 3.45Å; A1290-E1294 WeakPolarHBondContact O-CA 3.48Å; A1290-E1294 WeakPolarHBondContact O-CB 3.44Å; A1290-E1294 PolarHBondContact O-N 3Å |
| 1291 | N | 75 | Confident | 66.4 | Low | 80 Ų | 80 | 94.2 Ų | 94.2 | 43% | 0.428 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.2 | -31.8 | 172.6 | -76.5 | -60.7 | 0 | 0 | 0 | 112.2 | E1287 L1288 L1295 | E1287-N1291 WeakPolarHBondContact CG-ND2 3.47Å; E1287-N1291 WeakPolarHBondContact O-CB 3.32Å; E1287-N1291 VanDerWaalsContact O-CG 3.29Å; E1287-N1291 PolarHBondContact O-N 2.77Å; E1287-N1291 PolarHBondContact O-ND2 2.97Å; L1288-N1291 CarbonylContact O-C 3.51Å; N1291-L1295 WeakPolarHBondContact O-CA 3.08Å; N1291-L1295 WeakPolarHBondContact O-CB 3.25Å; N1291-L1295 PolarHBondContact O-N 3.27Å |
| 1292 | V | 71 | Confident | 65.2 | Low | 64 Ų | 64 | 96.3 Ų | 96.3 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -84.4 | -28.9 | 174 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | L1288 E1296 | L1288-V1292 HydrophobicContact CD1-CG2 3.9Å; L1288-V1292 HydrophobicContact CG-CG2 4.12Å; L1288-V1292 WeakPolarHBondContact O-CA 3.48Å; L1288-V1292 WeakPolarHBondContact O-CB 3.1Å; L1288-V1292 WeakPolarHBondContact O-CG2 3.5Å; L1288-V1292 PolarHBondContact O-N 3.33Å; V1292-E1296 WeakPolarHBondContact O-CA 3.4Å; V1292-E1296 WeakPolarHBondContact O-CB 3.09Å; V1292-E1296 PolarHBondContact O-N 3.32Å |
| 1293 | D | 66.3 | Low | 64 | Low | 54 Ų | 54 | 97.6 Ų | 97.6 | 29% | 0.289 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.6 | -27.7 | 169.8 | -69.1 | -8.8 | 0 | 0 | 0 | 110 | K1289 M1297 | K1289-D1293 WeakPolarHBondContact CE-OD2 3.2Å; K1289-D1293 WeakPolarHBondContact CG-OD1 3.3Å; K1289-D1293 WeakPolarHBondContact CG-OD2 3.44Å; K1289-D1293 IonicContact NZ-OD1 3.26Å; K1289-D1293 PolarHBondContact NZ-OD1 3.33Å; K1289-D1293 IonicContact NZ-OD2 3.75Å; K1289-D1293 PolarHBondContact NZ-OD2 2.91Å; K1289-D1293 VanDerWaalsContact O-CA 3.29Å; K1289-D1293 WeakPolarHBondContact O-CA 3.42Å; K1289-D1293 WeakPolarHBondContact O-CB 3.04Å; K1289-D1293 PolarHBondContact O-N 3.43Å; D1293-M1297 WeakPolarHBondContact O-CA 3.36Å; D1293-M1297 WeakPolarHBondContact O-CB 3.49Å; D1293-M1297 WeakPolarHBondContact O-CG 3.14Å; D1293-M1297 PolarHBondContact O-N 2.91Å |
| 1294 | E | 64.9 | Low | 62.6 | Low | 115 Ų | 115 | 98.1 Ų | 98.1 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78.7 | -41 | 170.1 | 178 | 175.2 | -168.1 | 0 | 0 | 110.6 | A1290 N1298 | A1290-E1294 WeakPolarHBondContact O-CA 3.48Å; A1290-E1294 WeakPolarHBondContact O-CB 3.44Å; A1290-E1294 PolarHBondContact O-N 3Å; E1294-N1298 VanDerWaalsContact CG-ND2 3.33Å; E1294-N1298 WeakPolarHBondContact CG-ND2 3.38Å; E1294-N1298 WeakPolarHBondContact O-CB 3.45Å; E1294-N1298 VanDerWaalsContact O-CG 3.28Å; E1294-N1298 PolarHBondContact O-N 3.28Å; E1294-N1298 PolarHBondContact O-ND2 3.02Å |
| 1295 | L | 70 | Confident | 61.2 | Low | 111 Ų | 111 | 97.6 Ų | 97.6 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -72.8 | -31.7 | 174.3 | -168.2 | 74.5 | 0 | 0 | 0 | 110.3 | N1291 V1299 | N1291-L1295 WeakPolarHBondContact O-CA 3.08Å; N1291-L1295 WeakPolarHBondContact O-CB 3.25Å; N1291-L1295 PolarHBondContact O-N 3.27Å; L1295-V1299 HydrophobicContact CD1-CG2 4.24Å; L1295-V1299 HydrophobicContact CG-CG2 4.05Å; L1295-V1299 WeakPolarHBondContact O-CA 3.38Å; L1295-V1299 WeakPolarHBondContact O-CB 3.42Å; L1295-V1299 WeakPolarHBondContact O-CG2 3.32Å; L1295-V1299 PolarHBondContact O-N 2.78Å |
| 1296 | E | 58 | Low | 59.8 | Low | 101 Ų | 101 | 95.9 Ų | 95.9 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -74.1 | 164.7 | -166.9 | 159 | -153.8 | 0 | 0 | 105.2 | V1292 N1298 V1299 T1300 | V1292-E1296 WeakPolarHBondContact O-CA 3.4Å; V1292-E1296 WeakPolarHBondContact O-CB 3.09Å; V1292-E1296 PolarHBondContact O-N 3.32Å; E1296-N1298 CarbonylContact O-C 3.15Å; E1296-N1298 VanDerWaalsContact O-C 3.31Å; E1296-N1298 PolarHBondContact O-N 3.35Å; E1296-V1299 CarbonylContact O-C 3.59Å; E1296-V1299 WeakPolarHBondContact O-CA 3.49Å; E1296-V1299 PolarHBondContact O-N 3.2Å; E1296-T1300 WeakPolarHBondContact CA-OG1 3.2Å; E1296-T1300 HydrophobicContact CG-CG2 4.45Å; E1296-T1300 WeakPolarHBondContact CG-OG1 3.34Å; E1296-T1300 VanDerWaalsContact O-CA 3.29Å; E1296-T1300 WeakPolarHBondContact O-CA 3.3Å; E1296-T1300 WeakPolarHBondContact O-CB 3.49Å; E1296-T1300 PolarHBondContact O-N 3.36Å; E1296-T1300 PolarHBondContact O-OG1 2.64Å |
| 1297 | M | 54.4 | Low | 58.7 | Low | 127 Ų | 127 | 97.5 Ų | 97.5 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -40.5 | -29.6 | 176.1 | -75 | 175.2 | 59.9 | 0 | 0 | 116.7 | D1293 R1301 | D1293-M1297 WeakPolarHBondContact O-CA 3.36Å; D1293-M1297 WeakPolarHBondContact O-CB 3.49Å; D1293-M1297 WeakPolarHBondContact O-CG 3.14Å; D1293-M1297 PolarHBondContact O-N 2.91Å; M1297-R1301 WeakPolarHBondContact O-CB 3.44Å; M1297-R1301 WeakPolarHBondContact O-CD 3.08Å; M1297-R1301 WeakPolarHBondContact O-CG 3.28Å; M1297-R1301 PolarHBondContact O-N 2.72Å |
| 1298 | N | 53.6 | Low | 57.5 | Low | 51 Ų | 51 | 97 Ų | 97 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -82.2 | -49.5 | 166.6 | -73.6 | -56 | 0 | 0 | 0 | 114.4 | E1294 E1296 T1300 R1301 L1302 | E1294-N1298 VanDerWaalsContact CG-ND2 3.33Å; E1294-N1298 WeakPolarHBondContact CG-ND2 3.38Å; E1294-N1298 WeakPolarHBondContact O-CB 3.45Å; E1294-N1298 VanDerWaalsContact O-CG 3.28Å; E1294-N1298 PolarHBondContact O-N 3.28Å; E1294-N1298 PolarHBondContact O-ND2 3.02Å; E1296-N1298 CarbonylContact O-C 3.15Å; E1296-N1298 VanDerWaalsContact O-C 3.31Å; E1296-N1298 PolarHBondContact O-N 3.35Å; N1298-T1300 PolarHBondContact O-N 2.79Å; N1298-R1301 CarbonylContact O-C 3.59Å; N1298-R1301 PolarHBondContact O-N 3.11Å; N1298-R1301 PolarHBondContact OD1-NH1 2.76Å; N1298-L1302 VanDerWaalsContact O-CB 3.26Å; N1298-L1302 WeakPolarHBondContact O-CB 3.49Å; N1298-L1302 WeakPolarHBondContact O-CD1 3.47Å; N1298-L1302 WeakPolarHBondContact O-CG 3.29Å; N1298-L1302 PolarHBondContact O-N 3.27Å |
| 1299 | V | 57.4 | Low | 55.9 | Low | 51 Ų | 51 | 93 Ų | 93 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.2 | -10.4 | 172.1 | 174 | 0 | 0 | 0 | 0 | 112.2 | L1295 E1296 L1302 R1303 | L1295-V1299 HydrophobicContact CD1-CG2 4.24Å; L1295-V1299 HydrophobicContact CG-CG2 4.05Å; L1295-V1299 WeakPolarHBondContact O-CA 3.38Å; L1295-V1299 WeakPolarHBondContact O-CB 3.42Å; L1295-V1299 WeakPolarHBondContact O-CG2 3.32Å; L1295-V1299 PolarHBondContact O-N 2.78Å; E1296-V1299 CarbonylContact O-C 3.59Å; E1296-V1299 WeakPolarHBondContact O-CA 3.49Å; E1296-V1299 PolarHBondContact O-N 3.2Å; V1299-L1302 CarbonylContact O-C 3.52Å; V1299-L1302 VanDerWaalsContact O-C 3.23Å; V1299-R1303 HydrophobicContact CG1-CG 4.05Å; V1299-R1303 WeakPolarHBondContact O-CA 3.22Å; V1299-R1303 WeakPolarHBondContact O-CB 3.41Å; V1299-R1303 WeakPolarHBondContact O-CD 3.37Å; V1299-R1303 WeakPolarHBondContact O-CG 3.48Å; V1299-R1303 PolarHBondContact O-N 2.93Å |
| 1300 | T | 51.4 | Low | 54.8 | Low | 24 Ų | 24 | 89.9 Ų | 89.9 | 15% | 0.147 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -106.5 | -40.9 | -176.7 | -62.8 | 0 | 0 | 0 | 0 | 106.7 | E1296 N1298 L1302 R1303 E1304 T1305 | E1296-T1300 WeakPolarHBondContact CA-OG1 3.2Å; E1296-T1300 HydrophobicContact CG-CG2 4.45Å; E1296-T1300 WeakPolarHBondContact CG-OG1 3.34Å; E1296-T1300 VanDerWaalsContact O-CA 3.29Å; E1296-T1300 WeakPolarHBondContact O-CA 3.3Å; E1296-T1300 WeakPolarHBondContact O-CB 3.49Å; E1296-T1300 PolarHBondContact O-N 3.36Å; E1296-T1300 PolarHBondContact O-OG1 2.64Å; N1298-T1300 PolarHBondContact O-N 2.79Å; T1300-L1302 PolarHBondContact O-N 3.37Å; T1300-R1303 PolarHBondContact O-N 3.28Å; T1300-E1304 HydrophobicContact CG2-CB 3.48Å; T1300-E1304 VanDerWaalsContact CG2-CB 3.48Å; T1300-E1304 HydrophobicContact CG2-CG 3.51Å; T1300-E1304 WeakPolarHBondContact CG2-OE1 3.49Å; T1300-E1304 WeakPolarHBondContact CG2-OE2 3.04Å; T1300-E1304 CarbonylContact O-C 3.46Å; T1300-E1304 WeakPolarHBondContact O-CA 3.14Å; T1300-E1304 WeakPolarHBondContact O-CB 3.26Å; T1300-E1304 PolarHBondContact O-N 3.14Å; T1300-T1305 PolarHBondContact O-N 3.15Å |
| 1301 | R | 50.1 | Low | 54.3 | Low | 180 Ų | 180 | 92.9 Ų | 92.9 | 68% | 0.679 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -15.9 | 152.1 | -83.5 | 164.5 | 50.4 | -139.7 | -9.9 | 114 | M1297 N1298 | M1297-R1301 WeakPolarHBondContact O-CB 3.44Å; M1297-R1301 WeakPolarHBondContact O-CD 3.08Å; M1297-R1301 WeakPolarHBondContact O-CG 3.28Å; M1297-R1301 PolarHBondContact O-N 2.72Å; N1298-R1301 CarbonylContact O-C 3.59Å; N1298-R1301 PolarHBondContact O-N 3.11Å; N1298-R1301 PolarHBondContact OD1-NH1 2.76Å |
| 1302 | L | 48.7 | Very low | 53.1 | Low | 136 Ų | 136 | 91.6 Ų | 91.6 | 71% | 0.712 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 1.5 | 177.3 | -66.9 | 163.8 | 0 | 0 | 0 | 115.1 | N1298 V1299 T1300 | N1298-L1302 VanDerWaalsContact O-CB 3.26Å; N1298-L1302 WeakPolarHBondContact O-CB 3.49Å; N1298-L1302 WeakPolarHBondContact O-CD1 3.47Å; N1298-L1302 WeakPolarHBondContact O-CG 3.29Å; N1298-L1302 PolarHBondContact O-N 3.27Å; V1299-L1302 CarbonylContact O-C 3.52Å; V1299-L1302 VanDerWaalsContact O-C 3.23Å; T1300-L1302 PolarHBondContact O-N 3.37Å |
| 1303 | R | 46.1 | Very low | 52.2 | Low | 194 Ų | 194 | 92.9 Ų | 92.9 | 73% | 0.732 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | -34.8 | 175.3 | -67.1 | 169.2 | 84.9 | -176.4 | 2.7 | 112.6 | V1299 T1300 T1305 | V1299-R1303 HydrophobicContact CG1-CG 4.05Å; V1299-R1303 WeakPolarHBondContact O-CA 3.22Å; V1299-R1303 WeakPolarHBondContact O-CB 3.41Å; V1299-R1303 WeakPolarHBondContact O-CD 3.37Å; V1299-R1303 WeakPolarHBondContact O-CG 3.48Å; V1299-R1303 PolarHBondContact O-N 2.93Å; T1300-R1303 PolarHBondContact O-N 3.28Å; R1303-T1305 CarbonylContact O-C 3.6Å; R1303-T1305 PolarHBondContact O-N 2.66Å; R1303-T1305 VanDerWaalsContact O-O 3.06Å; R1303-T1305 PolarHBondContact O-OG1 3.21Å |
| 1304 | E | 43.6 | Very low | 51.6 | Low | 119 Ų | 119 | 94.6 Ų | 94.6 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | trans | -80 | 33 | 152.8 | -74.7 | -179.9 | -154.4 | 0 | 0 | 112.5 | T1300 D1306 | T1300-E1304 HydrophobicContact CG2-CB 3.48Å; T1300-E1304 VanDerWaalsContact CG2-CB 3.48Å; T1300-E1304 HydrophobicContact CG2-CG 3.51Å; T1300-E1304 WeakPolarHBondContact CG2-OE1 3.49Å; T1300-E1304 WeakPolarHBondContact CG2-OE2 3.04Å; T1300-E1304 CarbonylContact O-C 3.46Å; T1300-E1304 WeakPolarHBondContact O-CA 3.14Å; T1300-E1304 WeakPolarHBondContact O-CB 3.26Å; T1300-E1304 PolarHBondContact O-N 3.14Å; E1304-D1306 VanDerWaalsContact CA-N 3.3Å; E1304-D1306 HydrophobicContact CB-CB 3.76Å; E1304-D1306 HydrophobicContact CG-CB 3.86Å; E1304-D1306 PolarHBondContact O-N 3.14Å | ||
| 1305 | T | 44.4 | Very low | 51.5 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 65% | 0.65 | 48% | 0.484 | S | S | * | . | S | Bend | -53.1 | 70.9 | 113.4 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | T1300 R1303 A1307 | T1300-T1305 PolarHBondContact O-N 3.15Å; R1303-T1305 CarbonylContact O-C 3.6Å; R1303-T1305 PolarHBondContact O-N 2.66Å; R1303-T1305 VanDerWaalsContact O-O 3.06Å; R1303-T1305 PolarHBondContact O-OG1 3.21Å; T1305-A1307 PolarHBondContact O-N 2.72Å | |
| 1306 | D | 44.6 | Very low | 51 | Low | 44 Ų | 44 | 95.1 Ų | 95.1 | 24% | 0.235 | 48% | 0.482 | C | S | . | . | trans | -80.1 | 98.8 | -151.8 | -175.3 | -7.8 | 0 | 0 | 0 | 111.1 | E1304 Q1308 G1309 A1310 Y1311 | E1304-D1306 VanDerWaalsContact CA-N 3.3Å; E1304-D1306 HydrophobicContact CB-CB 3.76Å; E1304-D1306 HydrophobicContact CG-CB 3.86Å; E1304-D1306 PolarHBondContact O-N 3.14Å; D1306-Q1308 PolarHBondContact O-N 2.9Å; D1306-Q1308 PolarHBondContact OD1-N 3.43Å; D1306-G1309 VanDerWaalsContact CG-CA 3.43Å; D1306-G1309 PolarHBondContact OD1-N 2.67Å; D1306-G1309 WeakPolarHBondContact OD2-CA 3.24Å; D1306-G1309 PolarHBondContact OD2-N 2.78Å; D1306-A1310 HydrophobicContact CB-CB 4.21Å; D1306-A1310 CarbonylContact O-C 3.39Å; D1306-A1310 WeakPolarHBondContact O-CA 3.45Å; D1306-A1310 WeakPolarHBondContact O-CB 3.39Å; D1306-A1310 PolarHBondContact O-N 3.38Å; D1306-Y1311 PolarHBondContact O-N 2.94Å | ||
| 1307 | A | 46.8 | Very low | 50.8 | Low | 88 Ų | 88 | 92.6 Ų | 92.6 | 73% | 0.727 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | T1305 Y1311 | T1305-A1307 PolarHBondContact O-N 2.72Å; A1307-Y1311 WeakPolarHBondContact O-CB 3.26Å |
| 1308 | Q | 46.9 | Very low | 51.6 | Low | 119 Ų | 119 | 89 Ų | 89 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -36.7 | -179.4 | -165.6 | 61.4 | 41.9 | 0 | 0 | 113.9 | D1306 Y1311 N1312 | D1306-Q1308 PolarHBondContact O-N 2.9Å; D1306-Q1308 PolarHBondContact OD1-N 3.43Å; Q1308-Y1311 CarbonylContact O-C 3.36Å; Q1308-Y1311 WeakPolarHBondContact O-CB 3.39Å; Q1308-N1312 WeakPolarHBondContact O-CB 3.02Å; Q1308-N1312 VanDerWaalsContact O-CG 3.24Å; Q1308-N1312 PolarHBondContact O-N 3.17Å; Q1308-N1312 PolarHBondContact O-ND2 3.31Å |
| 1309 | G | 42 | Very low | 52.3 | Low | 21 Ų | 21 | 92.2 Ų | 92.2 | 22% | 0.216 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -97 | -21 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1306 Y1311 V1313 | D1306-G1309 VanDerWaalsContact CG-CA 3.43Å; D1306-G1309 PolarHBondContact OD1-N 2.67Å; D1306-G1309 WeakPolarHBondContact OD2-CA 3.24Å; D1306-G1309 PolarHBondContact OD2-N 2.78Å; G1309-Y1311 VanDerWaalsContact C-N 3.31Å; G1309-V1313 WeakPolarHBondContact O-CA 3.33Å; G1309-V1313 WeakPolarHBondContact O-CB 3.03Å; G1309-V1313 WeakPolarHBondContact O-CG2 3.49Å; G1309-V1313 PolarHBondContact O-N 3.45Å |
| 1310 | A | 46.8 | Very low | 52.7 | Low | 46 Ų | 46 | 94.3 Ų | 94.3 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -81.5 | -10.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1306 T1314 | D1306-A1310 HydrophobicContact CB-CB 4.21Å; D1306-A1310 CarbonylContact O-C 3.39Å; D1306-A1310 WeakPolarHBondContact O-CA 3.45Å; D1306-A1310 WeakPolarHBondContact O-CB 3.39Å; D1306-A1310 PolarHBondContact O-N 3.38Å; A1310-T1314 WeakPolarHBondContact O-CA 3.37Å; A1310-T1314 WeakPolarHBondContact O-CB 3.32Å; A1310-T1314 WeakPolarHBondContact O-CG2 3.26Å; A1310-T1314 PolarHBondContact O-N 2.83Å; A1310-T1314 PolarHBondContact O-OG1 3.24Å |
| 1311 | Y | 58.7 | Low | 53.2 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -79.7 | -38 | 157.2 | 170.6 | -90.9 | 0 | 0 | 0 | 112.2 | D1306 A1307 Q1308 G1309 T1314 R1315 | D1306-Y1311 PolarHBondContact O-N 2.94Å; A1307-Y1311 WeakPolarHBondContact O-CB 3.26Å; Q1308-Y1311 CarbonylContact O-C 3.36Å; Q1308-Y1311 WeakPolarHBondContact O-CB 3.39Å; G1309-Y1311 VanDerWaalsContact C-N 3.31Å; Y1311-T1314 WeakPolarHBondContact CA-OG1 3.28Å; Y1311-T1314 CarbonylContact O-C 3.48Å; Y1311-T1314 PolarHBondContact O-N 3.34Å; Y1311-R1315 WeakPolarHBondContact O-CA 3.04Å; Y1311-R1315 WeakPolarHBondContact O-CB 3.02Å; Y1311-R1315 PolarHBondContact O-N 2.03Å |
| 1312 | N | 50.1 | Low | 54.2 | Low | 53 Ų | 53 | 92 Ų | 92 | 28% | 0.283 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.9 | -34.2 | 173.9 | -73.3 | -27.2 | 0 | 0 | 0 | 111 | Q1308 R1315 E1316 | Q1308-N1312 WeakPolarHBondContact O-CB 3.02Å; Q1308-N1312 VanDerWaalsContact O-CG 3.24Å; Q1308-N1312 PolarHBondContact O-N 3.17Å; Q1308-N1312 PolarHBondContact O-ND2 3.31Å; N1312-R1315 CarbonylContact O-C 3.53Å; N1312-R1315 PolarHBondContact O-N 3.27Å; N1312-R1315 VanDerWaalsContact OD1-CZ 3.25Å; N1312-R1315 PolarHBondContact OD1-NH1 3.47Å; N1312-R1315 PolarHBondContact OD1-NH2 3.06Å; N1312-E1316 VanDerWaalsContact O-CB 3.27Å; N1312-E1316 WeakPolarHBondContact O-CB 3.38Å; N1312-E1316 WeakPolarHBondContact O-CG 3.4Å; N1312-E1316 PolarHBondContact O-N 3.15Å |
| 1313 | V | 50.7 | Low | 55.1 | Low | 91 Ų | 91 | 90.5 Ų | 90.5 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.4 | -29.8 | 168.5 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | G1309 R1315 A1317 | G1309-V1313 WeakPolarHBondContact O-CA 3.33Å; G1309-V1313 WeakPolarHBondContact O-CB 3.03Å; G1309-V1313 WeakPolarHBondContact O-CG2 3.49Å; G1309-V1313 PolarHBondContact O-N 3.45Å; V1313-R1315 VanDerWaalsContact C-N 3.33Å; V1313-A1317 WeakPolarHBondContact O-CA 2.95Å; V1313-A1317 WeakPolarHBondContact O-CB 3.33Å; V1313-A1317 PolarHBondContact O-N 3.44Å |
| 1314 | T | 54.3 | Low | 55.9 | Low | 90 Ų | 90 | 83.8 Ų | 83.8 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -82.1 | -4.3 | 164.1 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | A1310 Y1311 A1318 | A1310-T1314 WeakPolarHBondContact O-CA 3.37Å; A1310-T1314 WeakPolarHBondContact O-CB 3.32Å; A1310-T1314 WeakPolarHBondContact O-CG2 3.26Å; A1310-T1314 PolarHBondContact O-N 2.83Å; A1310-T1314 PolarHBondContact O-OG1 3.24Å; Y1311-T1314 WeakPolarHBondContact CA-OG1 3.28Å; Y1311-T1314 CarbonylContact O-C 3.48Å; Y1311-T1314 PolarHBondContact O-N 3.34Å; T1314-A1318 WeakPolarHBondContact O-CA 3.09Å; T1314-A1318 WeakPolarHBondContact O-CB 3.39Å; T1314-A1318 PolarHBondContact O-N 2.92Å |
| 1315 | R | 63.4 | Low | 57 | Low | 121 Ų | 121 | 82.6 Ų | 82.6 | 46% | 0.457 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -94.8 | -44.5 | 172.4 | -175.1 | -172 | 71.5 | -173.9 | -0.2 | 110.3 | Y1311 N1312 V1313 A1318 Q1319 | Y1311-R1315 WeakPolarHBondContact O-CA 3.04Å; Y1311-R1315 WeakPolarHBondContact O-CB 3.02Å; Y1311-R1315 PolarHBondContact O-N 2.03Å; N1312-R1315 CarbonylContact O-C 3.53Å; N1312-R1315 PolarHBondContact O-N 3.27Å; N1312-R1315 VanDerWaalsContact OD1-CZ 3.25Å; N1312-R1315 PolarHBondContact OD1-NH1 3.47Å; N1312-R1315 PolarHBondContact OD1-NH2 3.06Å; V1313-R1315 VanDerWaalsContact C-N 3.33Å; R1315-A1318 CarbonylContact O-C 3.55Å; R1315-A1318 WeakPolarHBondContact O-CA 3.43Å; R1315-A1318 PolarHBondContact O-N 3.42Å; R1315-Q1319 VanDerWaalsContact O-CB 3.22Å; R1315-Q1319 WeakPolarHBondContact O-CB 3.31Å; R1315-Q1319 PolarHBondContact O-N 3.29Å |
| 1316 | E | 58.9 | Low | 58.1 | Low | 115 Ų | 115 | 83.4 Ų | 83.4 | 54% | 0.537 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 167.3 | -72.3 | -177.6 | 165.3 | 0 | 0 | 110.1 | N1312 A1318 Q1319 V1320 | N1312-E1316 VanDerWaalsContact O-CB 3.27Å; N1312-E1316 WeakPolarHBondContact O-CB 3.38Å; N1312-E1316 WeakPolarHBondContact O-CG 3.4Å; N1312-E1316 PolarHBondContact O-N 3.15Å; E1316-A1318 VanDerWaalsContact C-N 3.29Å; E1316-A1318 PolarHBondContact O-N 2.78Å; E1316-Q1319 CarbonylContact O-C 3.38Å; E1316-Q1319 PolarHBondContact O-N 2.92Å; E1316-Q1319 VanDerWaalsContact O-N 3.08Å; E1316-V1320 VanDerWaalsContact O-CB 3.27Å; E1316-V1320 WeakPolarHBondContact O-CB 3.4Å; E1316-V1320 VanDerWaalsContact O-CG2 3.29Å; E1316-V1320 WeakPolarHBondContact O-CG2 3.02Å; E1316-V1320 PolarHBondContact O-N 3.44Å |
| 1317 | A | 53.9 | Low | 59 | Low | 49 Ų | 49 | 90.2 Ų | 90.2 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.1 | -13.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113 | V1313 S1321 | V1313-A1317 WeakPolarHBondContact O-CA 2.95Å; V1313-A1317 WeakPolarHBondContact O-CB 3.33Å; V1313-A1317 PolarHBondContact O-N 3.44Å; A1317-S1321 VanDerWaalsContact O-CA 3.26Å; A1317-S1321 WeakPolarHBondContact O-CA 3.23Å; A1317-S1321 WeakPolarHBondContact O-CB 3.49Å; A1317-S1321 PolarHBondContact O-N 3.08Å |
| 1318 | A | 71.2 | Confident | 59.6 | Low | 52 Ų | 52 | 88.2 Ų | 88.2 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -82.3 | -19.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1314 R1315 E1316 L1322 | T1314-A1318 WeakPolarHBondContact O-CA 3.09Å; T1314-A1318 WeakPolarHBondContact O-CB 3.39Å; T1314-A1318 PolarHBondContact O-N 2.92Å; R1315-A1318 CarbonylContact O-C 3.55Å; R1315-A1318 WeakPolarHBondContact O-CA 3.43Å; R1315-A1318 PolarHBondContact O-N 3.42Å; E1316-A1318 VanDerWaalsContact C-N 3.29Å; E1316-A1318 PolarHBondContact O-N 2.78Å; A1318-L1322 WeakPolarHBondContact O-CA 3.19Å; A1318-L1322 WeakPolarHBondContact O-CB 3.26Å; A1318-L1322 PolarHBondContact O-N 2.78Å |
| 1319 | Q | 69.4 | Low | 60.5 | Low | 118 Ų | 118 | 86.5 Ų | 86.5 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -89.1 | -39 | 178.2 | -160.7 | 167.5 | -4.6 | 0 | 0 | 109.9 | R1315 E1316 L1322 Q1323 | R1315-Q1319 VanDerWaalsContact O-CB 3.22Å; R1315-Q1319 WeakPolarHBondContact O-CB 3.31Å; R1315-Q1319 PolarHBondContact O-N 3.29Å; E1316-Q1319 CarbonylContact O-C 3.38Å; E1316-Q1319 PolarHBondContact O-N 2.92Å; E1316-Q1319 VanDerWaalsContact O-N 3.08Å; Q1319-L1322 PolarHBondContact O-N 2.79Å; Q1319-Q1323 WeakPolarHBondContact O-CB 3.5Å; Q1319-Q1323 WeakPolarHBondContact O-CG 3.33Å; Q1319-Q1323 PolarHBondContact O-N 2.63Å |
| 1320 | V | 64.8 | Low | 61.3 | Low | 95 Ų | 95 | 88.6 Ų | 88.6 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.4 | -35.8 | 163.5 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | E1316 A1324 | E1316-V1320 VanDerWaalsContact O-CB 3.27Å; E1316-V1320 WeakPolarHBondContact O-CB 3.4Å; E1316-V1320 VanDerWaalsContact O-CG2 3.29Å; E1316-V1320 WeakPolarHBondContact O-CG2 3.02Å; E1316-V1320 PolarHBondContact O-N 3.44Å; V1320-A1324 WeakPolarHBondContact O-CA 3.47Å; V1320-A1324 WeakPolarHBondContact O-CB 3.49Å; V1320-A1324 PolarHBondContact O-N 3.22Å |
| 1321 | S | 61.5 | Low | 61.9 | Low | 65 Ų | 65 | 89.2 Ų | 89.2 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.9 | -29.9 | 168.6 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | A1317 A1324 Q1325 | A1317-S1321 VanDerWaalsContact O-CA 3.26Å; A1317-S1321 WeakPolarHBondContact O-CA 3.23Å; A1317-S1321 WeakPolarHBondContact O-CB 3.49Å; A1317-S1321 PolarHBondContact O-N 3.08Å; S1321-A1324 CarbonylContact O-C 3.53Å; S1321-A1324 PolarHBondContact O-N 3.48Å; S1321-Q1325 VanDerWaalsContact O-CA 3.31Å; S1321-Q1325 WeakPolarHBondContact O-CA 3.46Å; S1321-Q1325 WeakPolarHBondContact O-CB 2.99Å; S1321-Q1325 PolarHBondContact O-N 2.87Å |
| 1322 | L | 71.7 | Confident | 62.3 | Low | 91 Ų | 91 | 90.2 Ų | 90.2 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.6 | -32.2 | 172.4 | -167.7 | 79.2 | 0 | 0 | 0 | 110.9 | A1318 Q1319 Q1326 | A1318-L1322 WeakPolarHBondContact O-CA 3.19Å; A1318-L1322 WeakPolarHBondContact O-CB 3.26Å; A1318-L1322 PolarHBondContact O-N 2.78Å; Q1319-L1322 PolarHBondContact O-N 2.79Å; L1322-Q1326 VanDerWaalsContact O-CB 3.3Å; L1322-Q1326 WeakPolarHBondContact O-CB 3.36Å; L1322-Q1326 WeakPolarHBondContact O-CG 3.2Å; L1322-Q1326 PolarHBondContact O-N 3.41Å |
| 1323 | Q | 67.8 | Low | 63.1 | Low | 104 Ų | 104 | 95.1 Ų | 95.1 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -75.2 | -36.3 | 170.1 | -76.6 | -176.5 | -0.5 | 0 | 0 | 112.1 | Q1319 Q1325 Q1326 R1327 | Q1319-Q1323 WeakPolarHBondContact O-CB 3.5Å; Q1319-Q1323 WeakPolarHBondContact O-CG 3.33Å; Q1319-Q1323 PolarHBondContact O-N 2.63Å; Q1323-Q1325 VanDerWaalsContact C-N 3.32Å; Q1323-Q1326 PolarHBondContact O-N 2.87Å; Q1323-R1327 WeakPolarHBondContact O-CB 3.39Å; Q1323-R1327 VanDerWaalsContact O-CG 3.23Å; Q1323-R1327 WeakPolarHBondContact O-CG 3Å; Q1323-R1327 PolarHBondContact O-N 2.78Å |
| 1324 | A | 63 | Low | 63.5 | Low | 52 Ų | 52 | 94.5 Ų | 94.5 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.6 | -27.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1320 S1321 R1327 A1328 | V1320-A1324 WeakPolarHBondContact O-CA 3.47Å; V1320-A1324 WeakPolarHBondContact O-CB 3.49Å; V1320-A1324 PolarHBondContact O-N 3.22Å; S1321-A1324 CarbonylContact O-C 3.53Å; S1321-A1324 PolarHBondContact O-N 3.48Å; A1324-R1327 CarbonylContact O-C 3.55Å; A1324-A1328 WeakPolarHBondContact O-CA 3.34Å; A1324-A1328 WeakPolarHBondContact O-CB 3.19Å; A1324-A1328 PolarHBondContact O-N 2.68Å |
| 1325 | Q | 65.4 | Low | 64.1 | Low | 95 Ų | 95 | 94.2 Ų | 94.2 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.9 | -41.7 | 171 | -178.7 | 174.6 | 4.2 | 0 | 0 | 109.7 | S1321 Q1323 R1327 A1328 D1329 | S1321-Q1325 VanDerWaalsContact O-CA 3.31Å; S1321-Q1325 WeakPolarHBondContact O-CA 3.46Å; S1321-Q1325 WeakPolarHBondContact O-CB 2.99Å; S1321-Q1325 PolarHBondContact O-N 2.87Å; Q1323-Q1325 VanDerWaalsContact C-N 3.32Å; Q1325-R1327 PolarHBondContact O-N 2.86Å; Q1325-A1328 CarbonylContact O-C 3.42Å; Q1325-A1328 PolarHBondContact O-N 2.03Å; Q1325-D1329 WeakPolarHBondContact CG-OD1 3.03Å; Q1325-D1329 WeakPolarHBondContact CG-OD2 3.26Å; Q1325-D1329 WeakPolarHBondContact O-CA 3.2Å; Q1325-D1329 WeakPolarHBondContact O-CB 3.26Å; Q1325-D1329 PolarHBondContact O-N 3.4Å |
| 1326 | Q | 68 | Low | 64.6 | Low | 123 Ų | 123 | 90 Ų | 90 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.4 | -34.3 | 168.6 | -78.4 | 173.4 | -3.5 | 0 | 0 | 111.6 | L1322 Q1323 A1330 | L1322-Q1326 VanDerWaalsContact O-CB 3.3Å; L1322-Q1326 WeakPolarHBondContact O-CB 3.36Å; L1322-Q1326 WeakPolarHBondContact O-CG 3.2Å; L1322-Q1326 PolarHBondContact O-N 3.41Å; Q1323-Q1326 PolarHBondContact O-N 2.87Å; Q1326-A1330 WeakPolarHBondContact O-CB 3.3Å; Q1326-A1330 PolarHBondContact O-N 2.94Å |
| 1327 | R | 63.3 | Low | 65 | Low | 187 Ų | 187 | 89.7 Ų | 89.7 | 71% | 0.706 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.1 | -32.9 | 169.4 | -72.4 | 171.8 | -179.8 | 179.9 | 2 | 112.5 | Q1323 A1324 Q1325 T1331 | Q1323-R1327 WeakPolarHBondContact O-CB 3.39Å; Q1323-R1327 VanDerWaalsContact O-CG 3.23Å; Q1323-R1327 WeakPolarHBondContact O-CG 3Å; Q1323-R1327 PolarHBondContact O-N 2.78Å; A1324-R1327 CarbonylContact O-C 3.55Å; Q1325-R1327 PolarHBondContact O-N 2.86Å; R1327-T1331 WeakPolarHBondContact O-CG2 3.42Å; R1327-T1331 PolarHBondContact O-N 3.22Å |
| 1328 | A | 59.8 | Low | 65 | Low | 45 Ų | 45 | 90.1 Ų | 90.1 | 37% | 0.372 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -80.7 | -39.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | A1324 Q1325 A1330 T1331 E1332 | A1324-A1328 WeakPolarHBondContact O-CA 3.34Å; A1324-A1328 WeakPolarHBondContact O-CB 3.19Å; A1324-A1328 PolarHBondContact O-N 2.68Å; Q1325-A1328 CarbonylContact O-C 3.42Å; Q1325-A1328 PolarHBondContact O-N 2.03Å; A1328-A1330 VanDerWaalsContact C-N 3.35Å; A1328-T1331 VanDerWaalsContact C-OG1 3.31Å; A1328-T1331 VanDerWaalsContact CA-OG1 3.24Å; A1328-T1331 WeakPolarHBondContact CA-OG1 3.03Å; A1328-T1331 CarbonylContact O-C 3.4Å; A1328-T1331 VanDerWaalsContact O-CA 3.25Å; A1328-T1331 WeakPolarHBondContact O-CA 2.91Å; A1328-T1331 WeakPolarHBondContact O-CB 3.25Å; A1328-T1331 PolarHBondContact O-N 2.98Å; A1328-T1331 PolarHBondContact O-OG1 2.74Å; A1328-E1332 PolarHBondContact O-N 2.84Å |
| 1329 | D | 65.5 | Low | 65 | Low | 83 Ų | 83 | 93.7 Ų | 93.7 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 168.8 | -60.5 | -5.4 | 0 | 0 | 0 | 109.4 | Q1325 T1331 E1332 | Q1325-D1329 WeakPolarHBondContact CG-OD1 3.03Å; Q1325-D1329 WeakPolarHBondContact CG-OD2 3.26Å; Q1325-D1329 WeakPolarHBondContact O-CA 3.2Å; Q1325-D1329 WeakPolarHBondContact O-CB 3.26Å; Q1325-D1329 PolarHBondContact O-N 3.4Å; D1329-T1331 VanDerWaalsContact C-N 3.28Å; D1329-T1331 PolarHBondContact O-N 3.44Å; D1329-E1332 WeakPolarHBondContact O-CB 3.3Å; D1329-E1332 PolarHBondContact O-N 3.38Å |
| 1330 | A | 60.3 | Low | 65.2 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -34.2 | 166 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1326 A1328 E1332 | Q1326-A1330 WeakPolarHBondContact O-CB 3.3Å; Q1326-A1330 PolarHBondContact O-N 2.94Å; A1328-A1330 VanDerWaalsContact C-N 3.35Å; A1330-E1332 VanDerWaalsContact C-N 3.31Å |
| 1331 | T | 59.4 | Low | 65.4 | Low | 59 Ų | 59 | 91.6 Ų | 91.6 | 36% | 0.362 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.2 | -6.1 | 166.2 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | R1327 A1328 D1329 K1333 T1334 I1335 | R1327-T1331 WeakPolarHBondContact O-CG2 3.42Å; R1327-T1331 PolarHBondContact O-N 3.22Å; A1328-T1331 VanDerWaalsContact C-OG1 3.31Å; A1328-T1331 VanDerWaalsContact CA-OG1 3.24Å; A1328-T1331 WeakPolarHBondContact CA-OG1 3.03Å; A1328-T1331 CarbonylContact O-C 3.4Å; A1328-T1331 VanDerWaalsContact O-CA 3.25Å; A1328-T1331 WeakPolarHBondContact O-CA 2.91Å; A1328-T1331 WeakPolarHBondContact O-CB 3.25Å; A1328-T1331 PolarHBondContact O-N 2.98Å; A1328-T1331 PolarHBondContact O-OG1 2.74Å; D1329-T1331 VanDerWaalsContact C-N 3.28Å; D1329-T1331 PolarHBondContact O-N 3.44Å; T1331-K1333 PolarHBondContact O-N 2.97Å; T1331-T1334 CarbonylContact O-C 3.59Å; T1331-T1334 WeakPolarHBondContact O-CA 3.24Å; T1331-T1334 WeakPolarHBondContact O-CB 3.22Å; T1331-T1334 PolarHBondContact O-N 2.99Å; T1331-I1335 VanDerWaalsContact O-CB 3.29Å; T1331-I1335 WeakPolarHBondContact O-CB 3.03Å; T1331-I1335 WeakPolarHBondContact O-CG1 3.25Å; T1331-I1335 PolarHBondContact O-N 2.83Å |
| 1332 | E | 66.6 | Low | 65.7 | Low | 141 Ų | 141 | 95.1 Ų | 95.1 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 176.4 | -170.5 | -179.7 | -153.7 | 0 | 0 | 110 | A1328 D1329 A1330 I1335 G1336 | A1328-E1332 PolarHBondContact O-N 2.84Å; D1329-E1332 WeakPolarHBondContact O-CB 3.3Å; D1329-E1332 PolarHBondContact O-N 3.38Å; A1330-E1332 VanDerWaalsContact C-N 3.31Å; E1332-I1335 PolarHBondContact O-N 2.77Å; E1332-G1336 PolarHBondContact O-N 3.01Å |
| 1333 | K | 65.8 | Low | 65.9 | Low | 156 Ų | 156 | 98.2 Ų | 98.2 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 170.5 | -169.3 | -176.8 | 175.3 | -168.3 | 0 | 112.1 | T1331 I1335 G1336 E1337 | T1331-K1333 PolarHBondContact O-N 2.97Å; K1333-I1335 VanDerWaalsContact C-N 3.32Å; K1333-I1335 PolarHBondContact O-N 3.43Å; K1333-G1336 PolarHBondContact O-N 2.75Å; K1333-E1337 WeakPolarHBondContact CE-OE1 3.37Å; K1333-E1337 WeakPolarHBondContact O-CG 3.46Å; K1333-E1337 PolarHBondContact O-N 3.04Å |
| 1334 | T | 60.1 | Low | 66.2 | Low | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -29.8 | 177 | -45 | 0 | 0 | 0 | 0 | 112.7 | T1331 S1338 | T1331-T1334 CarbonylContact O-C 3.59Å; T1331-T1334 WeakPolarHBondContact O-CA 3.24Å; T1331-T1334 WeakPolarHBondContact O-CB 3.22Å; T1331-T1334 PolarHBondContact O-N 2.99Å; T1334-S1338 WeakPolarHBondContact O-CB 3.33Å; T1334-S1338 PolarHBondContact O-N 3.47Å |
| 1335 | I | 66.9 | Low | 66.1 | Low | 85 Ų | 85 | 101.4 Ų | 101.4 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76.5 | -37 | 176.4 | -71.8 | 164.1 | 0 | 0 | 0 | 109.7 | T1331 E1332 K1333 S1338 E1339 | T1331-I1335 VanDerWaalsContact O-CB 3.29Å; T1331-I1335 WeakPolarHBondContact O-CB 3.03Å; T1331-I1335 WeakPolarHBondContact O-CG1 3.25Å; T1331-I1335 PolarHBondContact O-N 2.83Å; E1332-I1335 PolarHBondContact O-N 2.77Å; K1333-I1335 VanDerWaalsContact C-N 3.32Å; K1333-I1335 PolarHBondContact O-N 3.43Å; I1335-S1338 CarbonylContact O-C 3.48Å; I1335-S1338 PolarHBondContact O-N 2.94Å; I1335-E1339 VanDerWaalsContact O-CB 3.25Å; I1335-E1339 WeakPolarHBondContact O-CB 3.31Å; I1335-E1339 PolarHBondContact O-N 3.12Å |
| 1336 | G | 72.5 | Confident | 66.4 | Low | 31 Ų | 31 | 103 Ų | 103 | 32% | 0.32 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1332 K1333 E1339 T1340 | E1332-G1336 PolarHBondContact O-N 3.01Å; K1333-G1336 PolarHBondContact O-N 2.75Å; G1336-E1339 PolarHBondContact O-N 3.08Å; G1336-T1340 WeakPolarHBondContact O-CB 3.32Å; G1336-T1340 PolarHBondContact O-N 2.75Å; G1336-T1340 PolarHBondContact O-OG1 2.94Å |
| 1337 | E | 69 | Low | 66.8 | Low | 110 Ų | 110 | 101.9 Ų | 101.9 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 169.2 | -72.8 | 167.5 | -170.1 | 0 | 0 | 110.5 | K1333 E1339 T1340 E1341 | K1333-E1337 WeakPolarHBondContact CE-OE1 3.37Å; K1333-E1337 WeakPolarHBondContact O-CG 3.46Å; K1333-E1337 PolarHBondContact O-N 3.04Å; E1337-E1339 PolarHBondContact O-N 2.75Å; E1337-T1340 WeakPolarHBondContact O-CB 3.03Å; E1337-T1340 PolarHBondContact O-N 2.03Å; E1337-E1341 PolarHBondContact O-N 2.03Å |
| 1338 | S | 53.9 | Low | 67 | Low | 57 Ų | 57 | 98.4 Ų | 98.4 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -30 | 174.6 | 177 | 0 | 0 | 0 | 0 | 114.2 | T1334 I1335 R1342 | T1334-S1338 WeakPolarHBondContact O-CB 3.33Å; T1334-S1338 PolarHBondContact O-N 3.47Å; I1335-S1338 CarbonylContact O-C 3.48Å; I1335-S1338 PolarHBondContact O-N 2.94Å; S1338-R1342 WeakPolarHBondContact O-CB 3.49Å; S1338-R1342 WeakPolarHBondContact O-CG 3.27Å; S1338-R1342 PolarHBondContact O-N 3.28Å; S1338-R1342 PolarHBondContact O-NE 2.81Å; S1338-R1342 PolarHBondContact OG-NE 3.47Å |
| 1339 | E | 70.3 | Confident | 67.1 | Low | 127 Ų | 127 | 100.3 Ų | 100.3 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.5 | -39.6 | 174.5 | -172.5 | 169.6 | -154.5 | 0 | 0 | 110.7 | I1335 G1336 E1337 E1341 R1342 R1343 | I1335-E1339 VanDerWaalsContact O-CB 3.25Å; I1335-E1339 WeakPolarHBondContact O-CB 3.31Å; I1335-E1339 PolarHBondContact O-N 3.12Å; G1336-E1339 PolarHBondContact O-N 3.08Å; E1337-E1339 PolarHBondContact O-N 2.75Å; E1339-E1341 VanDerWaalsContact C-N 3.33Å; E1339-E1341 PolarHBondContact O-N 2.85Å; E1339-R1342 PolarHBondContact O-N 2.96Å; E1339-R1343 WeakPolarHBondContact O-CB 3.33Å; E1339-R1343 PolarHBondContact O-N 3.02Å |
| 1340 | T | 74 | Confident | 67.3 | Low | 76 Ų | 76 | 100.8 Ų | 100.8 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 171.6 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | G1336 E1337 R1343 R1344 | G1336-T1340 WeakPolarHBondContact O-CB 3.32Å; G1336-T1340 PolarHBondContact O-N 2.75Å; G1336-T1340 PolarHBondContact O-OG1 2.94Å; E1337-T1340 WeakPolarHBondContact O-CB 3.03Å; E1337-T1340 PolarHBondContact O-N 2.03Å; T1340-R1343 PolarHBondContact O-N 2.02Å; T1340-R1344 PolarHBondContact O-N 3.23Å |
| 1341 | E | 68.2 | Low | 67.8 | Low | 93 Ų | 93 | 101.4 Ų | 101.4 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.6 | -29.7 | -179.3 | -150.7 | 64.2 | -173.5 | 0 | 0 | 112.9 | E1337 E1339 R1343 R1344 T1345 | E1337-E1341 PolarHBondContact O-N 2.03Å; E1339-E1341 VanDerWaalsContact C-N 3.33Å; E1339-E1341 PolarHBondContact O-N 2.85Å; E1341-R1343 VanDerWaalsContact C-N 3.35Å; E1341-R1344 IonicContact OE1-NH1 3.51Å; E1341-R1344 WeakPolarHBondContact OE2-CD 3.45Å; E1341-R1344 IonicContact OE2-CZ 3.71Å; E1341-R1344 IonicContact OE2-NE 2.82Å; E1341-R1344 IonicContact OE2-NH1 2.73Å; E1341-R1344 PolarHBondContact OE2-NH1 3.09Å; E1341-T1345 WeakPolarHBondContact O-CB 3.49Å; E1341-T1345 PolarHBondContact O-N 3.17Å; E1341-T1345 PolarHBondContact O-OG1 3.23Å |
| 1342 | R | 67.5 | Low | 68.1 | Low | 139 Ų | 139 | 102.4 Ų | 102.4 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -35.4 | 165.5 | -81.2 | 175.4 | -67.6 | 164.1 | 4.6 | 112.1 | S1338 E1339 T1345 K1346 | S1338-R1342 WeakPolarHBondContact O-CB 3.49Å; S1338-R1342 WeakPolarHBondContact O-CG 3.27Å; S1338-R1342 PolarHBondContact O-N 3.28Å; S1338-R1342 PolarHBondContact O-NE 2.81Å; S1338-R1342 PolarHBondContact OG-NE 3.47Å; E1339-R1342 PolarHBondContact O-N 2.96Å; R1342-T1345 PolarHBondContact O-N 3.12Å; R1342-K1346 WeakPolarHBondContact O-CB 3.43Å; R1342-K1346 PolarHBondContact O-N 2.95Å |
| 1343 | R | 75.7 | Confident | 68.2 | Low | 157 Ų | 157 | 99.7 Ų | 99.7 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.4 | -42.8 | 175.9 | -154.9 | -174.6 | 80.9 | -146.1 | 0.1 | 111.2 | E1339 T1340 E1341 T1345 K1346 E1347 | E1339-R1343 WeakPolarHBondContact O-CB 3.33Å; E1339-R1343 PolarHBondContact O-N 3.02Å; T1340-R1343 PolarHBondContact O-N 2.02Å; E1341-R1343 VanDerWaalsContact C-N 3.35Å; R1343-T1345 VanDerWaalsContact C-N 3.35Å; R1343-T1345 PolarHBondContact O-N 2.83Å; R1343-K1346 PolarHBondContact O-N 3.12Å; R1343-E1347 IonicContact CZ-OE1 2.8Å; R1343-E1347 IonicContact NE-OE1 2.77Å; R1343-E1347 PolarHBondContact NE-OE1 3.34Å; R1343-E1347 IonicContact NH2-OE1 3.55Å; R1343-E1347 WeakPolarHBondContact O-CB 3.35Å; R1343-E1347 WeakPolarHBondContact O-CG 3.45Å; R1343-E1347 PolarHBondContact O-N 3.42Å |
| 1344 | R | 73.9 | Confident | 68.5 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.5 | -46.1 | 167.3 | -94.1 | 171.9 | 165.2 | 177 | -2.9 | 112.5 | T1340 E1341 K1346 E1347 L1348 | T1340-R1344 PolarHBondContact O-N 3.23Å; E1341-R1344 IonicContact OE1-NH1 3.51Å; E1341-R1344 WeakPolarHBondContact OE2-CD 3.45Å; E1341-R1344 IonicContact OE2-CZ 3.71Å; E1341-R1344 IonicContact OE2-NE 2.82Å; E1341-R1344 IonicContact OE2-NH1 2.73Å; E1341-R1344 PolarHBondContact OE2-NH1 3.09Å; R1344-K1346 VanDerWaalsContact C-N 3.28Å; R1344-K1346 PolarHBondContact O-N 2.78Å; R1344-E1347 PolarHBondContact O-N 2.81Å; R1344-L1348 WeakPolarHBondContact O-CB 3.22Å; R1344-L1348 PolarHBondContact O-N 2.7Å |
| 1345 | T | 62.5 | Low | 68.8 | Low | 71 Ų | 71 | 101.8 Ų | 101.8 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | E1341 R1342 R1343 L1348 L1349 | E1341-T1345 WeakPolarHBondContact O-CB 3.49Å; E1341-T1345 PolarHBondContact O-N 3.17Å; E1341-T1345 PolarHBondContact O-OG1 3.23Å; R1342-T1345 PolarHBondContact O-N 3.12Å; R1343-T1345 VanDerWaalsContact C-N 3.35Å; R1343-T1345 PolarHBondContact O-N 2.83Å; T1345-L1348 WeakPolarHBondContact O-CB 3.36Å; T1345-L1348 PolarHBondContact O-N 3.06Å; T1345-L1349 HydrophobicContact CG2-CD1 4.27Å; T1345-L1349 WeakPolarHBondContact O-CB 3.49Å; T1345-L1349 WeakPolarHBondContact O-CG 3.43Å; T1345-L1349 PolarHBondContact O-N 2.8Å |
| 1346 | K | 71.6 | Confident | 68.8 | Low | 128 Ų | 128 | 102.6 Ų | 102.6 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.6 | -44.4 | 173.9 | -178.3 | 173.9 | 177.2 | 176.8 | 0 | 112.1 | R1342 R1343 R1344 L1348 L1349 D1350 | R1342-K1346 WeakPolarHBondContact O-CB 3.43Å; R1342-K1346 PolarHBondContact O-N 2.95Å; R1343-K1346 PolarHBondContact O-N 3.12Å; R1344-K1346 VanDerWaalsContact C-N 3.28Å; R1344-K1346 PolarHBondContact O-N 2.78Å; K1346-L1348 PolarHBondContact O-N 2.84Å; K1346-L1349 PolarHBondContact O-N 2.92Å; K1346-L1349 VanDerWaalsContact O-N 3.14Å; K1346-D1350 WeakPolarHBondContact O-CB 3.12Å; K1346-D1350 PolarHBondContact O-N 2.79Å |
| 1347 | E | 76.2 | Confident | 68.7 | Low | 100 Ų | 100 | 105 Ų | 105 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -34.9 | 172.9 | -71.3 | 164.8 | -157.3 | 0 | 0 | 110.7 | R1343 R1344 A1351 | R1343-E1347 IonicContact CZ-OE1 2.8Å; R1343-E1347 IonicContact NE-OE1 2.77Å; R1343-E1347 PolarHBondContact NE-OE1 3.34Å; R1343-E1347 IonicContact NH2-OE1 3.55Å; R1343-E1347 WeakPolarHBondContact O-CB 3.35Å; R1343-E1347 WeakPolarHBondContact O-CG 3.45Å; R1343-E1347 PolarHBondContact O-N 3.42Å; R1344-E1347 PolarHBondContact O-N 2.81Å; E1347-A1351 VanDerWaalsContact O-CB 3.22Å; E1347-A1351 WeakPolarHBondContact O-CB 3.04Å; E1347-A1351 PolarHBondContact O-N 3.03Å |
| 1348 | L | 66.4 | Low | 69 | Low | 114 Ų | 114 | 105.8 Ų | 105.8 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.7 | -40.8 | 172.6 | -154.5 | 84.2 | 0 | 0 | 0 | 112.9 | R1344 T1345 K1346 N1352 | R1344-L1348 WeakPolarHBondContact O-CB 3.22Å; R1344-L1348 PolarHBondContact O-N 2.7Å; T1345-L1348 WeakPolarHBondContact O-CB 3.36Å; T1345-L1348 PolarHBondContact O-N 3.06Å; K1346-L1348 PolarHBondContact O-N 2.84Å; L1348-N1352 WeakPolarHBondContact O-CB 3.36Å; L1348-N1352 PolarHBondContact O-N 2.98Å; L1348-N1352 PolarHBondContact O-ND2 2.73Å |
| 1349 | L | 62.9 | Low | 69.6 | Low | 86 Ų | 86 | 108.6 Ų | 108.6 | 45% | 0.45 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 175.8 | -81 | 161.2 | 0 | 0 | 0 | 112.5 | T1345 K1346 N1352 L1353 F1356 | T1345-L1349 HydrophobicContact CG2-CD1 4.27Å; T1345-L1349 WeakPolarHBondContact O-CB 3.49Å; T1345-L1349 WeakPolarHBondContact O-CG 3.43Å; T1345-L1349 PolarHBondContact O-N 2.8Å; K1346-L1349 PolarHBondContact O-N 2.92Å; K1346-L1349 VanDerWaalsContact O-N 3.14Å; L1349-N1352 CarbonylContact O-C 3.56Å; L1349-N1352 PolarHBondContact O-N 2.77Å; L1349-L1353 WeakPolarHBondContact O-CA 2.83Å; L1349-L1353 PolarHBondContact O-N 2.69Å; L1349-F1356 HydrophobicContact CD2-CD2 4.24Å; L1349-F1356 HydrophobicContact CD2-CE2 4.47Å |
| 1350 | D | 70.6 | Confident | 69.7 | Low | 93 Ų | 93 | 107.4 Ų | 107.4 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.4 | -33.4 | 175.6 | -75.6 | -29.2 | 0 | 0 | 0 | 111 | K1346 L1353 | K1346-D1350 WeakPolarHBondContact O-CB 3.12Å; K1346-D1350 PolarHBondContact O-N 2.79Å; D1350-L1353 VanDerWaalsContact O-CB 3.3Å; D1350-L1353 WeakPolarHBondContact O-CB 3.29Å |
| 1351 | A | 70.8 | Confident | 69.8 | Low | 78 Ų | 78 | 111.2 Ų | 111.2 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1347 L1353 | E1347-A1351 VanDerWaalsContact O-CB 3.22Å; E1347-A1351 WeakPolarHBondContact O-CB 3.04Å; E1347-A1351 PolarHBondContact O-N 3.03Å; A1351-L1353 VanDerWaalsContact C-N 3.32Å |
| 1352 | N | 64.3 | Low | 70.2 | Confident | 81 Ų | 81 | 112.7 Ų | 112.7 | 43% | 0.433 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 18.2 | 178.3 | -64.7 | -16.2 | 0 | 0 | 0 | 113.1 | L1348 L1349 Q1354 D1355 F1356 | L1348-N1352 WeakPolarHBondContact O-CB 3.36Å; L1348-N1352 PolarHBondContact O-N 2.98Å; L1348-N1352 PolarHBondContact O-ND2 2.73Å; L1349-N1352 CarbonylContact O-C 3.56Å; L1349-N1352 PolarHBondContact O-N 2.77Å; N1352-Q1354 PolarHBondContact O-N 2.04Å; N1352-Q1354 VanDerWaalsContact O-N 3.15Å; N1352-D1355 PolarHBondContact O-N 3.38Å; N1352-F1356 WeakPolarHBondContact O-CB 3.45Å; N1352-F1356 PolarHBondContact O-N 2.7Å |
| 1353 | L | 68.9 | Low | 70.1 | Confident | 84 Ų | 84 | 110.5 Ų | 110.5 | 44% | 0.44 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -27.7 | -172.3 | -166.8 | 77.4 | 0 | 0 | 0 | 113.2 | L1349 D1350 A1351 N1357 | L1349-L1353 WeakPolarHBondContact O-CA 2.83Å; L1349-L1353 PolarHBondContact O-N 2.69Å; D1350-L1353 VanDerWaalsContact O-CB 3.3Å; D1350-L1353 WeakPolarHBondContact O-CB 3.29Å; A1351-L1353 VanDerWaalsContact C-N 3.32Å; L1353-N1357 WeakPolarHBondContact O-CB 2.97Å; L1353-N1357 PolarHBondContact O-N 3.32Å; L1353-N1357 PolarHBondContact O-ND2 3Å |
| 1354 | Q | 73.3 | Confident | 70.1 | Confident | 168 Ų | 168 | 106.9 Ų | 106.9 | 79% | 0.785 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.5 | -52.3 | 174.4 | -76.3 | -170.3 | -68.6 | 0 | 0 | 111.8 | N1352 F1356 N1357 E1358 | N1352-Q1354 PolarHBondContact O-N 2.04Å; N1352-Q1354 VanDerWaalsContact O-N 3.15Å; Q1354-F1356 VanDerWaalsContact C-N 3.28Å; Q1354-F1356 PolarHBondContact O-N 2.72Å; Q1354-N1357 PolarHBondContact O-N 2.67Å; Q1354-N1357 VanDerWaalsContact O-N 3.09Å; Q1354-E1358 PolarHBondContact O-N 2.75Å |
| 1355 | D | 66.3 | Low | 70.2 | Confident | 108 Ų | 108 | 101.6 Ų | 101.6 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.9 | -42.9 | 176.1 | -69.7 | -0.5 | 0 | 0 | 0 | 110.8 | N1352 N1357 E1358 Q1359 | N1352-D1355 PolarHBondContact O-N 3.38Å; D1355-N1357 PolarHBondContact O-N 2.84Å; D1355-E1358 PolarHBondContact O-N 2.63Å; D1355-Q1359 VanDerWaalsContact O-CB 3.26Å; D1355-Q1359 WeakPolarHBondContact O-CB 3.29Å; D1355-Q1359 PolarHBondContact O-N 2.75Å |
| 1356 | F | 66.2 | Low | 70.7 | Confident | 103 Ų | 103 | 99.9 Ų | 99.9 | 45% | 0.452 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.6 | -172.4 | -92 | 0 | 0 | 0 | 112.5 | L1349 N1352 Q1354 F1360 | L1349-F1356 HydrophobicContact CD2-CD2 4.24Å; L1349-F1356 HydrophobicContact CD2-CE2 4.47Å; N1352-F1356 WeakPolarHBondContact O-CB 3.45Å; N1352-F1356 PolarHBondContact O-N 2.7Å; Q1354-F1356 VanDerWaalsContact C-N 3.28Å; Q1354-F1356 PolarHBondContact O-N 2.72Å; F1356-F1360 WeakPolarHBondContact O-CB 3.43Å; F1356-F1360 PolarHBondContact O-N 2.04Å |
| 1357 | N | 70.7 | Confident | 70.7 | Confident | 81 Ų | 81 | 98.3 Ų | 98.3 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -34.5 | 175.7 | -90.3 | -68.2 | 0 | 0 | 0 | 112.9 | L1353 Q1354 D1355 K1361 | L1353-N1357 WeakPolarHBondContact O-CB 2.97Å; L1353-N1357 PolarHBondContact O-N 3.32Å; L1353-N1357 PolarHBondContact O-ND2 3Å; Q1354-N1357 PolarHBondContact O-N 2.67Å; Q1354-N1357 VanDerWaalsContact O-N 3.09Å; D1355-N1357 PolarHBondContact O-N 2.84Å; N1357-K1361 WeakPolarHBondContact O-CG 3.41Å; N1357-K1361 PolarHBondContact O-N 3.33Å |
| 1358 | E | 74.8 | Confident | 70.7 | Confident | 126 Ų | 126 | 97.6 Ų | 97.6 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.3 | -41.9 | 178.2 | -164.8 | 144.1 | -128.6 | 0 | 0 | 110.8 | Q1354 D1355 K1361 Q1362 | Q1354-E1358 PolarHBondContact O-N 2.75Å; D1355-E1358 PolarHBondContact O-N 2.63Å; E1358-K1361 PolarHBondContact O-N 3.1Å; E1358-Q1362 WeakPolarHBondContact O-CG 2.93Å; E1358-Q1362 PolarHBondContact O-N 3.38Å |
| 1359 | Q | 66.6 | Low | 71.2 | Confident | 117 Ų | 117 | 99.4 Ų | 99.4 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -36.5 | 171.4 | -156 | 167.5 | 34.8 | 0 | 0 | 111.8 | D1355 Q1362 N1363 | D1355-Q1359 VanDerWaalsContact O-CB 3.26Å; D1355-Q1359 WeakPolarHBondContact O-CB 3.29Å; D1355-Q1359 PolarHBondContact O-N 2.75Å; Q1359-Q1362 PolarHBondContact O-N 2.93Å; Q1359-N1363 WeakPolarHBondContact O-CB 3.04Å; Q1359-N1363 PolarHBondContact O-N 3.14Å; Q1359-N1363 PolarHBondContact O-ND2 2.75Å |
| 1360 | F | 73.6 | Confident | 71.6 | Confident | 102 Ų | 102 | 100.2 Ų | 100.2 | 45% | 0.447 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 171.8 | -179.2 | -92.9 | 0 | 0 | 0 | 111.8 | F1356 Q1362 N1363 Q1364 | F1356-F1360 WeakPolarHBondContact O-CB 3.43Å; F1356-F1360 PolarHBondContact O-N 2.04Å; F1360-Q1362 PolarHBondContact O-N 2.8Å; F1360-N1363 CarbonylContact O-C 3.53Å; F1360-N1363 PolarHBondContact O-N 3.5Å; F1360-Q1364 WeakPolarHBondContact O-CB 3.18Å; F1360-Q1364 PolarHBondContact O-N 3.42Å |
| 1361 | K | 76 | Confident | 71.8 | Confident | 155 Ų | 155 | 101.4 Ų | 101.4 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | 173.3 | -79.6 | 177.8 | 179.1 | 173 | 0 | 112.7 | N1357 E1358 N1363 Q1364 A1365 | N1357-K1361 WeakPolarHBondContact O-CG 3.41Å; N1357-K1361 PolarHBondContact O-N 3.33Å; E1358-K1361 PolarHBondContact O-N 3.1Å; K1361-N1363 VanDerWaalsContact C-N 3.35Å; K1361-Q1364 PolarHBondContact O-N 3.18Å; K1361-A1365 WeakPolarHBondContact O-CB 3.07Å; K1361-A1365 PolarHBondContact O-N 2.81Å |
| 1362 | Q | 75.8 | Confident | 72.1 | Confident | 125 Ų | 125 | 103.8 Ų | 103.8 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 175.1 | -69.4 | 176.5 | 24.7 | 0 | 0 | 111.4 | E1358 Q1359 F1360 A1365 A1366 | E1358-Q1362 WeakPolarHBondContact O-CG 2.93Å; E1358-Q1362 PolarHBondContact O-N 3.38Å; Q1359-Q1362 PolarHBondContact O-N 2.93Å; F1360-Q1362 PolarHBondContact O-N 2.8Å; Q1362-A1365 PolarHBondContact O-N 3.37Å; Q1362-A1366 WeakPolarHBondContact O-CB 3.42Å; Q1362-A1366 PolarHBondContact O-N 3.06Å |
| 1363 | N | 66.4 | Low | 72.5 | Confident | 92 Ų | 92 | 108.2 Ų | 108.2 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 174.6 | -70.6 | -16.4 | 0 | 0 | 0 | 112.4 | Q1359 F1360 K1361 A1366 L1367 | Q1359-N1363 WeakPolarHBondContact O-CB 3.04Å; Q1359-N1363 PolarHBondContact O-N 3.14Å; Q1359-N1363 PolarHBondContact O-ND2 2.75Å; F1360-N1363 CarbonylContact O-C 3.53Å; F1360-N1363 PolarHBondContact O-N 3.5Å; K1361-N1363 VanDerWaalsContact C-N 3.35Å; N1363-A1366 CarbonylContact O-C 3.58Å; N1363-A1366 WeakPolarHBondContact O-CA 3.43Å; N1363-A1366 WeakPolarHBondContact O-CB 3.33Å; N1363-A1366 PolarHBondContact O-N 2.84Å; N1363-A1366 VanDerWaalsContact O-N 3.14Å; N1363-L1367 PolarHBondContact O-N 3.1Å |
| 1364 | Q | 74 | Confident | 72.4 | Confident | 81 Ų | 81 | 106.7 Ų | 106.7 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 173.6 | -165.2 | 75.4 | 41.1 | 0 | 0 | 110.6 | F1360 K1361 A1366 L1367 D1368 | F1360-Q1364 WeakPolarHBondContact O-CB 3.18Å; F1360-Q1364 PolarHBondContact O-N 3.42Å; K1361-Q1364 PolarHBondContact O-N 3.18Å; Q1364-A1366 PolarHBondContact O-N 3.3Å; Q1364-L1367 WeakPolarHBondContact O-CA 3.29Å; Q1364-L1367 WeakPolarHBondContact O-CB 3.23Å; Q1364-L1367 PolarHBondContact O-N 2.94Å; Q1364-L1367 VanDerWaalsContact O-N 3.08Å; Q1364-D1368 PolarHBondContact O-N 3.18Å |
| 1365 | A | 77.5 | Confident | 72.5 | Confident | 40 Ų | 40 | 104.6 Ų | 104.6 | 33% | 0.331 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68 | -20.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | K1361 Q1362 R1369 | K1361-A1365 WeakPolarHBondContact O-CB 3.07Å; K1361-A1365 PolarHBondContact O-N 2.81Å; Q1362-A1365 PolarHBondContact O-N 3.37Å; A1365-R1369 PolarHBondContact O-NE 3.34Å; A1365-R1369 PolarHBondContact O-NH2 2.83Å |
| 1366 | A | 72.5 | Confident | 72.8 | Confident | 35 Ų | 35 | 105.4 Ų | 105.4 | 29% | 0.289 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76.9 | -39 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1362 N1363 Q1364 R1369 L1370 | Q1362-A1366 WeakPolarHBondContact O-CB 3.42Å; Q1362-A1366 PolarHBondContact O-N 3.06Å; N1363-A1366 CarbonylContact O-C 3.58Å; N1363-A1366 WeakPolarHBondContact O-CA 3.43Å; N1363-A1366 WeakPolarHBondContact O-CB 3.33Å; N1363-A1366 PolarHBondContact O-N 2.84Å; N1363-A1366 VanDerWaalsContact O-N 3.14Å; Q1364-A1366 PolarHBondContact O-N 3.3Å; A1366-R1369 PolarHBondContact O-N 3.28Å; A1366-L1370 VanDerWaalsContact O-CG 3.31Å; A1366-L1370 WeakPolarHBondContact O-CG 3.35Å; A1366-L1370 PolarHBondContact O-N 2.61Å |
| 1367 | L | 71.8 | Confident | 72.8 | Confident | 95 Ų | 95 | 105.1 Ų | 105.1 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 173.2 | -84.5 | 159.7 | 0 | 0 | 0 | 112.1 | N1363 Q1364 R1369 L1370 E1371 | N1363-L1367 PolarHBondContact O-N 3.1Å; Q1364-L1367 WeakPolarHBondContact O-CA 3.29Å; Q1364-L1367 WeakPolarHBondContact O-CB 3.23Å; Q1364-L1367 PolarHBondContact O-N 2.94Å; Q1364-L1367 VanDerWaalsContact O-N 3.08Å; L1367-R1369 PolarHBondContact O-N 2.75Å; L1367-L1370 CarbonylContact O-C 3.51Å; L1367-L1370 WeakPolarHBondContact O-CA 3.47Å; L1367-L1370 WeakPolarHBondContact O-CB 3.07Å; L1367-L1370 PolarHBondContact O-N 3.31Å; L1367-E1371 PolarHBondContact O-N 3.04Å |
| 1368 | D | 75.8 | Confident | 72.7 | Confident | 85 Ų | 85 | 106.5 Ų | 106.5 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.6 | -35.9 | 177.2 | -60.8 | -11.3 | 0 | 0 | 0 | 111.7 | Q1364 E1371 Q1372 | Q1364-D1368 PolarHBondContact O-N 3.18Å; D1368-E1371 PolarHBondContact O-N 3.36Å; D1368-Q1372 PolarHBondContact O-N 2.05Å |
| 1369 | R | 77.7 | Confident | 72.6 | Confident | 152 Ų | 152 | 104.3 Ų | 104.3 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.2 | -28.7 | 173.9 | -78.6 | 177.9 | -70.1 | -166.3 | -0.2 | 113.1 | A1365 A1366 L1367 R1373 | A1365-R1369 PolarHBondContact O-NE 3.34Å; A1365-R1369 PolarHBondContact O-NH2 2.83Å; A1366-R1369 PolarHBondContact O-N 3.28Å; L1367-R1369 PolarHBondContact O-N 2.75Å; R1369-R1373 WeakPolarHBondContact O-CB 3.11Å; R1369-R1373 WeakPolarHBondContact O-CG 3.39Å; R1369-R1373 PolarHBondContact O-N 3.5Å; R1369-R1373 VanDerWaalsContact O-N 3.13Å |
| 1370 | L | 70.6 | Confident | 73 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.6 | -34.8 | 171 | -75 | 164.1 | 0 | 0 | 0 | 111.1 | A1366 L1367 R1373 A1374 | A1366-L1370 VanDerWaalsContact O-CG 3.31Å; A1366-L1370 WeakPolarHBondContact O-CG 3.35Å; A1366-L1370 PolarHBondContact O-N 2.61Å; L1367-L1370 CarbonylContact O-C 3.51Å; L1367-L1370 WeakPolarHBondContact O-CA 3.47Å; L1367-L1370 WeakPolarHBondContact O-CB 3.07Å; L1367-L1370 PolarHBondContact O-N 3.31Å; L1370-R1373 CarbonylContact O-C 3.54Å; L1370-R1373 PolarHBondContact O-N 3.17Å; L1370-A1374 WeakPolarHBondContact O-CB 3.48Å; L1370-A1374 PolarHBondContact O-N 2.79Å |
| 1371 | E | 75.4 | Confident | 73 | Confident | 118 Ų | 118 | 100.7 Ų | 100.7 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.3 | -42.6 | 175.4 | -169.4 | 176.3 | -179.2 | 0 | 0 | 111.5 | L1367 D1368 R1373 A1374 Q1375 | L1367-E1371 PolarHBondContact O-N 3.04Å; D1368-E1371 PolarHBondContact O-N 3.36Å; E1371-R1373 VanDerWaalsContact C-N 3.35Å; E1371-R1373 PolarHBondContact O-N 2.88Å; E1371-A1374 WeakPolarHBondContact O-CB 3.27Å; E1371-A1374 PolarHBondContact O-N 2.75Å; E1371-Q1375 WeakPolarHBondContact O-CG 3.42Å; E1371-Q1375 PolarHBondContact O-N 2.96Å |
| 1372 | Q | 76.3 | Confident | 73 | Confident | 129 Ų | 129 | 94.3 Ų | 94.3 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.5 | -44.5 | 169.2 | -78.9 | -168.3 | -35 | 0 | 0 | 112.1 | D1368 A1374 Q1375 E1376 | D1368-Q1372 PolarHBondContact O-N 2.05Å; Q1372-A1374 VanDerWaalsContact C-N 3.28Å; Q1372-A1374 PolarHBondContact O-N 2.83Å; Q1372-Q1375 PolarHBondContact O-N 2.78Å; Q1372-E1376 PolarHBondContact O-N 2.04Å |
| 1373 | R | 72.3 | Confident | 73.1 | Confident | 174 Ų | 174 | 91.6 Ų | 91.6 | 66% | 0.657 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.2 | -32.1 | 174.6 | -80.3 | 175.9 | 165.6 | -175.4 | -5 | 112.9 | R1369 L1370 E1371 E1376 L1377 | R1369-R1373 WeakPolarHBondContact O-CB 3.11Å; R1369-R1373 WeakPolarHBondContact O-CG 3.39Å; R1369-R1373 PolarHBondContact O-N 3.5Å; R1369-R1373 VanDerWaalsContact O-N 3.13Å; L1370-R1373 CarbonylContact O-C 3.54Å; L1370-R1373 PolarHBondContact O-N 3.17Å; E1371-R1373 VanDerWaalsContact C-N 3.35Å; E1371-R1373 PolarHBondContact O-N 2.88Å; R1373-E1376 PolarHBondContact O-N 3.38Å; R1373-L1377 VanDerWaalsContact O-CB 3.27Å; R1373-L1377 WeakPolarHBondContact O-CB 3.27Å; R1373-L1377 PolarHBondContact O-N 2.75Å |
| 1374 | A | 67.4 | Low | 73.4 | Confident | 52 Ų | 52 | 90.5 Ų | 90.5 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1370 E1371 Q1372 L1377 D1378 | L1370-A1374 WeakPolarHBondContact O-CB 3.48Å; L1370-A1374 PolarHBondContact O-N 2.79Å; E1371-A1374 WeakPolarHBondContact O-CB 3.27Å; E1371-A1374 PolarHBondContact O-N 2.75Å; Q1372-A1374 VanDerWaalsContact C-N 3.28Å; Q1372-A1374 PolarHBondContact O-N 2.83Å; A1374-L1377 WeakPolarHBondContact O-CB 3.38Å; A1374-L1377 PolarHBondContact O-N 3.07Å; A1374-D1378 PolarHBondContact O-N 2.66Å |
| 1375 | Q | 75.8 | Confident | 73.5 | Confident | 123 Ų | 123 | 86.8 Ų | 86.8 | 58% | 0.575 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.1 | -38.7 | 173 | -68.7 | 176.6 | 9 | 0 | 0 | 112.5 | E1371 Q1372 L1377 A1379 | E1371-Q1375 WeakPolarHBondContact O-CG 3.42Å; E1371-Q1375 PolarHBondContact O-N 2.96Å; Q1372-Q1375 PolarHBondContact O-N 2.78Å; Q1375-L1377 VanDerWaalsContact C-N 3.28Å; Q1375-L1377 PolarHBondContact O-N 3.15Å; Q1375-A1379 PolarHBondContact O-N 3.47Å |
| 1376 | E | 72.9 | Confident | 73.7 | Confident | 125 Ų | 125 | 87.8 Ų | 87.8 | 58% | 0.584 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.5 | -32.3 | 171.2 | -72.8 | -178.7 | 159.9 | 0 | 0 | 112.2 | Q1372 R1373 Q1380 | Q1372-E1376 PolarHBondContact O-N 2.04Å; R1373-E1376 PolarHBondContact O-N 3.38Å; E1376-Q1380 WeakPolarHBondContact O-CG 3.46Å; E1376-Q1380 PolarHBondContact O-NE2 3.43Å |
| 1377 | L | 65 | Low | 73.9 | Confident | 97 Ų | 97 | 92.8 Ų | 92.8 | 51% | 0.508 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75.7 | -40.7 | 177.1 | -164.6 | 72.8 | 0 | 0 | 0 | 111.9 | R1373 A1374 Q1375 A1379 Q1380 I1381 | R1373-L1377 VanDerWaalsContact O-CB 3.27Å; R1373-L1377 WeakPolarHBondContact O-CB 3.27Å; R1373-L1377 PolarHBondContact O-N 2.75Å; A1374-L1377 WeakPolarHBondContact O-CB 3.38Å; A1374-L1377 PolarHBondContact O-N 3.07Å; Q1375-L1377 VanDerWaalsContact C-N 3.28Å; Q1375-L1377 PolarHBondContact O-N 3.15Å; L1377-A1379 VanDerWaalsContact C-N 3.31Å; L1377-A1379 PolarHBondContact O-N 2.72Å; L1377-Q1380 CarbonylContact O-C 3.4Å; L1377-Q1380 WeakPolarHBondContact O-CA 3.5Å; L1377-Q1380 WeakPolarHBondContact O-CB 3.36Å; L1377-Q1380 PolarHBondContact O-N 3Å; L1377-I1381 PolarHBondContact O-N 3.06Å; L1377-I1381 VanDerWaalsContact O-N 3.12Å |
| 1378 | D | 68.4 | Low | 74 | Confident | 110 Ų | 110 | 90.7 Ų | 90.7 | 59% | 0.588 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -55.4 | -46.1 | 173.5 | -112.6 | 16.3 | 0 | 0 | 0 | 110.8 | A1374 Q1380 I1381 | A1374-D1378 PolarHBondContact O-N 2.66Å; D1378-Q1380 PolarHBondContact O-N 3.37Å; D1378-I1381 WeakPolarHBondContact O-CB 3.44Å; D1378-I1381 PolarHBondContact O-N 2.68Å; D1378-I1381 VanDerWaalsContact O-N 3.13Å; D1378-I1381 VanDerWaalsContact OD1-CD1 3.31Å; D1378-I1381 WeakPolarHBondContact OD1-CD1 3.37Å |
| 1379 | A | 73.8 | Confident | 74.1 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 66% | 0.661 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1375 L1377 | Q1375-A1379 PolarHBondContact O-N 3.47Å; L1377-A1379 VanDerWaalsContact C-N 3.31Å; L1377-A1379 PolarHBondContact O-N 2.72Å |
| 1380 | Q | 74.5 | Confident | 74.1 | Confident | 105 Ų | 105 | 80.3 Ų | 80.3 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -10.1 | 176.6 | -73.2 | 170.7 | 75.4 | 0 | 0 | 113.2 | E1376 L1377 D1378 P1382 D1383 L1384 | E1376-Q1380 WeakPolarHBondContact O-CG 3.46Å; E1376-Q1380 PolarHBondContact O-NE2 3.43Å; L1377-Q1380 CarbonylContact O-C 3.4Å; L1377-Q1380 WeakPolarHBondContact O-CA 3.5Å; L1377-Q1380 WeakPolarHBondContact O-CB 3.36Å; L1377-Q1380 PolarHBondContact O-N 3Å; D1378-Q1380 PolarHBondContact O-N 3.37Å; Q1380-P1382 VanDerWaalsContact C-N 3.32Å; Q1380-D1383 PolarHBondContact O-N 3.44Å; Q1380-D1383 VanDerWaalsContact O-N 3.09Å; Q1380-L1384 WeakPolarHBondContact O-CB 3.35Å; Q1380-L1384 PolarHBondContact O-N 3.18Å |
| 1381 | I | 72.9 | Confident | 74.3 | Confident | 39 Ų | 39 | 76 Ų | 76 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -49.1 | -41.7 | -179.8 | -73.1 | 175.4 | 0 | 0 | 0 | 113.7 | L1377 D1378 D1383 L1384 N1385 A1403 | L1377-I1381 PolarHBondContact O-N 3.06Å; L1377-I1381 VanDerWaalsContact O-N 3.12Å; D1378-I1381 WeakPolarHBondContact O-CB 3.44Å; D1378-I1381 PolarHBondContact O-N 2.68Å; D1378-I1381 VanDerWaalsContact O-N 3.13Å; D1378-I1381 VanDerWaalsContact OD1-CD1 3.31Å; D1378-I1381 WeakPolarHBondContact OD1-CD1 3.37Å; I1381-D1383 PolarHBondContact O-N 2.61Å; I1381-L1384 CarbonylContact O-C 3.44Å; I1381-L1384 WeakPolarHBondContact O-CB 3.49Å; I1381-L1384 PolarHBondContact O-N 2.72Å; I1381-N1385 WeakPolarHBondContact CG2-ND2 3.1Å; I1381-N1385 WeakPolarHBondContact O-CB 3.08Å; I1381-N1385 PolarHBondContact O-N 3.25Å; I1381-N1385 PolarHBondContact O-OD1 2.75Å; I1381-A1403 HydrophobicContact CG2-CB 4.41Å |
| 1382 | P | 76.4 | Confident | 74.4 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.7 | -35.7 | -178.6 | -22.2 | 34.4 | 0 | 0 | 0 | 113.5 | Q1380 L1386 D1394 | Q1380-P1382 VanDerWaalsContact C-N 3.32Å; P1382-L1386 PolarHBondContact O-N 2.74Å; P1382-D1394 WeakPolarHBondContact CB-OD1 3.38Å; P1382-D1394 HydrophobicContact CG-CB 4.32Å; P1382-D1394 WeakPolarHBondContact CG-OD1 3.38Å |
| 1383 | D | 77.2 | Confident | 74.2 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -75.9 | -34.1 | 172.7 | -76.6 | -44.3 | 0 | 0 | 0 | 111.1 | Q1380 I1381 L1386 F1387 K1392 | Q1380-D1383 PolarHBondContact O-N 3.44Å; Q1380-D1383 VanDerWaalsContact O-N 3.09Å; I1381-D1383 PolarHBondContact O-N 2.61Å; D1383-L1386 WeakPolarHBondContact O-CB 3.47Å; D1383-L1386 PolarHBondContact O-N 2.75Å; D1383-F1387 WeakPolarHBondContact O-CD2 3.07Å; D1383-F1387 PolarHBondContact O-N 2.8Å; D1383-K1392 WeakPolarHBondContact OD1-CE 3.44Å; D1383-K1392 IonicContact OD1-NZ 2.82Å; D1383-K1392 PolarHBondContact OD1-NZ 2.7Å; D1383-K1392 IonicContact OD2-NZ 2.7Å |
| 1384 | L | 73.6 | Confident | 74 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 172.4 | -149.1 | 81.3 | 0 | 0 | 0 | 111.3 | Q1380 I1381 L1386 F1387 V1388 | Q1380-L1384 WeakPolarHBondContact O-CB 3.35Å; Q1380-L1384 PolarHBondContact O-N 3.18Å; I1381-L1384 CarbonylContact O-C 3.44Å; I1381-L1384 WeakPolarHBondContact O-CB 3.49Å; I1381-L1384 PolarHBondContact O-N 2.72Å; L1384-L1386 VanDerWaalsContact C-N 3.3Å; L1384-L1386 PolarHBondContact O-N 2.7Å; L1384-F1387 PolarHBondContact O-N 3.39Å; L1384-V1388 HydrophobicContact CG-CG2 4.12Å; L1384-V1388 WeakPolarHBondContact O-CA 3.23Å; L1384-V1388 WeakPolarHBondContact O-CB 3.36Å; L1384-V1388 VanDerWaalsContact O-CG2 3.26Å; L1384-V1388 WeakPolarHBondContact O-CG2 3.48Å; L1384-V1388 PolarHBondContact O-N 2.71Å |
| 1385 | N | 76.7 | Confident | 73.9 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.011 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 176.8 | -71.8 | -11.5 | 0 | 0 | 0 | 111.3 | I1381 C1389 G1390 A1391 T1393 A1403 | I1381-N1385 WeakPolarHBondContact CG2-ND2 3.1Å; I1381-N1385 WeakPolarHBondContact O-CB 3.08Å; I1381-N1385 PolarHBondContact O-N 3.25Å; I1381-N1385 PolarHBondContact O-OD1 2.75Å; N1385-C1389 CarbonylContact O-C 3.54Å; N1385-C1389 WeakPolarHBondContact O-CA 3.37Å; N1385-C1389 WeakPolarHBondContact O-CB 3.29Å; N1385-C1389 PolarHBondContact O-N 2.69Å; N1385-G1390 PolarHBondContact O-N 3.08Å; N1385-A1391 CarbonylContact C-O 3.56Å; N1385-A1391 WeakPolarHBondContact CB-O 3.05Å; N1385-A1391 PolarHBondContact O-N 3.47Å; N1385-T1393 PolarHBondContact ND2-O 2.87Å; N1385-A1403 WeakPolarHBondContact OD1-CB 3.47Å; N1385-A1403 PolarHBondContact OD1-N 2.71Å |
| 1386 | L | 80.3 | Confident | 73.5 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 32% | 0.319 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 172.4 | 178.6 | 61.2 | 0 | 0 | 0 | 111.5 | P1382 D1383 L1384 G1390 A1391 K1392 | P1382-L1386 PolarHBondContact O-N 2.74Å; D1383-L1386 WeakPolarHBondContact O-CB 3.47Å; D1383-L1386 PolarHBondContact O-N 2.75Å; L1384-L1386 VanDerWaalsContact C-N 3.3Å; L1384-L1386 PolarHBondContact O-N 2.7Å; L1386-G1390 WeakPolarHBondContact O-CA 3.39Å; L1386-G1390 PolarHBondContact O-N 2.77Å; L1386-A1391 WeakPolarHBondContact CA-O 3.38Å; L1386-A1391 PolarHBondContact N-O 2.71Å; L1386-K1392 HydrophobicContact CB-CB 4.03Å; L1386-K1392 HydrophobicContact CD1-CB 4.32Å; L1386-K1392 HydrophobicContact CD2-CB 4.36Å; L1386-K1392 HydrophobicContact CD2-CD 4.27Å; L1386-K1392 HydrophobicContact CG-CB 4.47Å |
| 1387 | F | 77.9 | Confident | 73.6 | Confident | 140 Ų | 140 | 65 Ų | 65 | 61% | 0.614 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.4 | -31.8 | -178.3 | -72.8 | -59.3 | 0 | 0 | 0 | 113.7 | D1383 L1384 S1417 | D1383-F1387 WeakPolarHBondContact O-CD2 3.07Å; D1383-F1387 PolarHBondContact O-N 2.8Å; L1384-F1387 PolarHBondContact O-N 3.39Å; F1387-S1417 VanDerWaalsContact O-CB 3.29Å; F1387-S1417 WeakPolarHBondContact O-CB 3.38Å; F1387-S1417 PolarHBondContact O-N 3.45Å; F1387-S1417 PolarHBondContact O-OG 2.68Å |
| 1388 | V | 73.1 | Confident | 74 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -101 | -46.4 | -171.6 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | L1384 G1416 S1417 V1418 | L1384-V1388 HydrophobicContact CG-CG2 4.12Å; L1384-V1388 WeakPolarHBondContact O-CA 3.23Å; L1384-V1388 WeakPolarHBondContact O-CB 3.36Å; L1384-V1388 VanDerWaalsContact O-CG2 3.26Å; L1384-V1388 WeakPolarHBondContact O-CG2 3.48Å; L1384-V1388 PolarHBondContact O-N 2.71Å; V1388-G1416 CarbonylContact O-C 2.94Å; V1388-G1416 VanDerWaalsContact O-C 3.3Å; V1388-G1416 WeakPolarHBondContact O-CA 3.1Å; V1388-S1417 PolarHBondContact O-N 2.81Å; V1388-V1418 HydrophobicContact CG1-CG2 3.86Å; V1388-V1418 PolarHBondContact O-N 3.42Å |
| 1389 | C | 78.5 | Confident | 74.2 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -24.5 | -174.8 | -50.2 | 0 | 0 | 0 | 0 | 113.4 | N1385 C1400 G1402 C1408 G1409 C1413 | N1385-C1389 CarbonylContact O-C 3.54Å; N1385-C1389 WeakPolarHBondContact O-CA 3.37Å; N1385-C1389 WeakPolarHBondContact O-CB 3.29Å; N1385-C1389 PolarHBondContact O-N 2.69Å; C1389-C1400 WeakPolarHBondContact CB-O 3.11Å; C1389-G1402 WeakPolarHBondContact SG-CA 3.42Å; C1389-C1408 WeakPolarHBondContact CA-SG 3.14Å; C1389-C1408 HydrophobicContact CB-CB 4.02Å; C1389-C1408 WeakPolarHBondContact CB-SG 3.42Å; C1389-C1408 WeakPolarHBondContact SG-CB 2.94Å; C1389-C1408 CovalentContact SG-SG 2.04Å; C1389-C1408 PolarHBondContact SG-SG 2.86Å; C1389-G1409 WeakPolarHBondContact O-CA 3.11Å; C1389-C1413 WeakPolarHBondContact O-CB 3.22Å |
| 1390 | G | 77.3 | Confident | 74.2 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 19% | 0.186 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 102.1 | 5.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1385 L1386 | N1385-G1390 PolarHBondContact O-N 3.08Å; L1386-G1390 WeakPolarHBondContact O-CA 3.39Å; L1386-G1390 PolarHBondContact O-N 2.77Å |
| 1391 | A | 74.6 | Confident | 74.2 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -133.2 | 140.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N1385 L1386 T1393 D1397 C1400 | N1385-A1391 CarbonylContact C-O 3.56Å; N1385-A1391 WeakPolarHBondContact CB-O 3.05Å; N1385-A1391 PolarHBondContact O-N 3.47Å; L1386-A1391 WeakPolarHBondContact CA-O 3.38Å; L1386-A1391 PolarHBondContact N-O 2.71Å; A1391-T1393 HydrophobicContact CB-CG2 4.45Å; A1391-T1393 PolarHBondContact O-N 3.3Å; A1391-D1397 HydrophobicContact CB-CB 3.81Å; A1391-C1400 HydrophobicContact CB-CB 3.65Å |
| 1392 | K | 78.3 | Confident | 74.3 | Confident | 124 Ų | 124 | 59.4 Ų | 59.4 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | trans | -91.1 | 91.3 | -179.9 | -177.4 | 160.7 | -177.8 | 158 | 0 | 110.3 | D1383 L1386 | D1383-K1392 WeakPolarHBondContact OD1-CE 3.44Å; D1383-K1392 IonicContact OD1-NZ 2.82Å; D1383-K1392 PolarHBondContact OD1-NZ 2.7Å; D1383-K1392 IonicContact OD2-NZ 2.7Å; L1386-K1392 HydrophobicContact CB-CB 4.03Å; L1386-K1392 HydrophobicContact CD1-CB 4.32Å; L1386-K1392 HydrophobicContact CD2-CB 4.36Å; L1386-K1392 HydrophobicContact CD2-CD 4.27Å; L1386-K1392 HydrophobicContact CG-CB 4.47Å | ||
| 1393 | T | 71.5 | Confident | 73.7 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 17% | 0.172 | 34% | 0.341 | C | S | . | . | trans | -140.1 | 142.3 | -176.1 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | N1385 A1391 S1395 D1397 | N1385-T1393 PolarHBondContact ND2-O 2.87Å; A1391-T1393 HydrophobicContact CB-CG2 4.45Å; A1391-T1393 PolarHBondContact O-N 3.3Å; T1393-S1395 VanDerWaalsContact C-N 3.28Å; T1393-S1395 WeakPolarHBondContact CB-O 3.2Å; T1393-S1395 PolarHBondContact OG1-O 2.85Å; T1393-D1397 HydrophobicContact CG2-CB 3.94Å | ||
| 1394 | D | 68 | Low | 73.2 | Confident | 139 Ų | 139 | 61.7 Ų | 61.7 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -79.8 | -15 | 174 | -55 | 12.3 | 0 | 0 | 0 | 111.7 | P1382 | P1382-D1394 WeakPolarHBondContact CB-OD1 3.38Å; P1382-D1394 HydrophobicContact CG-CB 4.32Å; P1382-D1394 WeakPolarHBondContact CG-OD1 3.38Å |
| 1395 | S | 65 | Low | 73.3 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 59% | 0.594 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -124.3 | 177.1 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | T1393 D1397 | T1393-S1395 VanDerWaalsContact C-N 3.28Å; T1393-S1395 WeakPolarHBondContact CB-O 3.2Å; T1393-S1395 PolarHBondContact OG1-O 2.85Å; S1395-D1397 PolarHBondContact O-N 2.99Å |
| 1396 | C | 68 | Low | 73 | Confident | 67 Ų | 67 | 67.9 Ų | 67.9 | 45% | 0.453 | 40% | 0.402 | S | S | . | . | trans | -59 | 124.9 | 172.4 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | C1405 | C1396-C1405 WeakPolarHBondContact CA-SG 3.39Å; C1396-C1405 HydrophobicContact CB-CB 3.87Å; C1396-C1405 WeakPolarHBondContact CB-SG 3.01Å; C1396-C1405 WeakPolarHBondContact SG-CB 3.38Å; C1396-C1405 CovalentContact SG-SG 2.03Å; C1396-C1405 PolarHBondContact SG-SG 3.44Å | ||
| 1397 | D | 74.5 | Confident | 72.6 | Confident | 48 Ų | 48 | 72.9 Ų | 72.9 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -77.3 | 134.6 | 167.8 | -176.9 | 91.5 | 0 | 0 | 0 | 110 | A1391 T1393 S1395 L1399 C1400 G1401 | A1391-D1397 HydrophobicContact CB-CB 3.81Å; T1393-D1397 HydrophobicContact CG2-CB 3.94Å; S1395-D1397 PolarHBondContact O-N 2.99Å; D1397-L1399 PolarHBondContact O-N 3.5Å; D1397-L1399 VanDerWaalsContact O-N 3.14Å; D1397-L1399 WeakPolarHBondContact OD2-CA 3.43Å; D1397-L1399 WeakPolarHBondContact OD2-CB 3.15Å; D1397-L1399 PolarHBondContact OD2-N 2.66Å; D1397-C1400 HydrophobicContact CB-CB 4.22Å; D1397-C1400 PolarHBondContact OD2-N 2.63Å; D1397-G1401 WeakPolarHBondContact CB-O 3.05Å; D1397-G1401 PolarHBondContact N-O 3.46Å; D1397-G1401 VanDerWaalsContact N-O 3.1Å; D1397-G1401 VanDerWaalsContact O-CA 3.27Å; D1397-G1401 WeakPolarHBondContact O-CA 3.49Å; D1397-G1401 PolarHBondContact O-N 2.71Å |
| 1398 | D | 74 | Confident | 72.4 | Confident | 171 Ų | 171 | 67.9 Ų | 67.9 | 91% | 0.914 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.2 | -175.8 | -68.3 | -36 | 0 | 0 | 0 | 113.7 | ||
| 1399 | L | 71.8 | Confident | 72.2 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 63% | 0.628 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -37.9 | 180 | -95.3 | 115.8 | 0 | 0 | 0 | 113.3 | D1397 S1412 C1413 | D1397-L1399 PolarHBondContact O-N 3.5Å; D1397-L1399 VanDerWaalsContact O-N 3.14Å; D1397-L1399 WeakPolarHBondContact OD2-CA 3.43Å; D1397-L1399 WeakPolarHBondContact OD2-CB 3.15Å; D1397-L1399 PolarHBondContact OD2-N 2.66Å; L1399-S1412 WeakPolarHBondContact CD2-OG 2.81Å; L1399-C1413 PolarHBondContact O-SG 2.99Å; L1399-C1413 VanDerWaalsContact O-SG 3.38Å |
| 1400 | C | 74.7 | Confident | 71.6 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -11.5 | -170.5 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | C1389 A1391 D1397 C1408 G1409 C1413 | C1389-C1400 WeakPolarHBondContact CB-O 3.11Å; A1391-C1400 HydrophobicContact CB-CB 3.65Å; D1397-C1400 HydrophobicContact CB-CB 4.22Å; D1397-C1400 PolarHBondContact OD2-N 2.63Å; C1400-C1408 CarbonylContact O-C 3.42Å; C1400-C1408 WeakPolarHBondContact O-CA 3.45Å; C1400-G1409 PolarHBondContact O-N 2.97Å; C1400-C1413 WeakPolarHBondContact CA-SG 3.01Å; C1400-C1413 HydrophobicContact CB-CB 3.77Å; C1400-C1413 WeakPolarHBondContact CB-SG 3.06Å; C1400-C1413 WeakPolarHBondContact SG-CB 3.49Å; C1400-C1413 CovalentContact SG-SG 2.03Å; C1400-C1413 PolarHBondContact SG-SG 3.05Å |
| 1401 | G | 74.4 | Confident | 71 | Confident | 6 Ų | 6 | 72 Ų | 72 | 6% | 0.062 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | 68.4 | -144.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1397 K1407 | D1397-G1401 WeakPolarHBondContact CB-O 3.05Å; D1397-G1401 PolarHBondContact N-O 3.46Å; D1397-G1401 VanDerWaalsContact N-O 3.1Å; D1397-G1401 VanDerWaalsContact O-CA 3.27Å; D1397-G1401 WeakPolarHBondContact O-CA 3.49Å; D1397-G1401 PolarHBondContact O-N 2.71Å; G1401-K1407 VanDerWaalsContact CA-O 3.27Å; G1401-K1407 WeakPolarHBondContact CA-O 3.33Å |
| 1402 | G | 75.6 | Confident | 70.6 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | trans | 173.3 | 170.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C1389 G1404 C1405 K1407 | C1389-G1402 WeakPolarHBondContact SG-CA 3.42Å; G1402-G1404 PolarHBondContact O-N 2.95Å; G1402-C1405 VanDerWaalsContact O-CB 3.27Å; G1402-C1405 WeakPolarHBondContact O-CB 3.38Å; G1402-C1405 PolarHBondContact O-N 3.03Å; G1402-C1405 VanDerWaalsContact O-N 3.12Å; G1402-C1405 PolarHBondContact O-SG 3.01Å; G1402-K1407 PolarHBondContact N-O 3.34Å | ||
| 1403 | A | 63.6 | Low | 70.4 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 120.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | I1381 N1385 | I1381-A1403 HydrophobicContact CG2-CB 4.41Å; N1385-A1403 WeakPolarHBondContact OD1-CB 3.47Å; N1385-A1403 PolarHBondContact OD1-N 2.71Å |
| 1404 | G | 66.6 | Low | 70.2 | Confident | 87 Ų | 87 | 77.1 Ų | 77.1 | 90% | 0.897 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | 9.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1402 | G1402-G1404 PolarHBondContact O-N 2.95Š|
| 1405 | C | 74.5 | Confident | 70.4 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -116.9 | 152.6 | -177.7 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | C1396 G1402 K1407 | C1396-C1405 WeakPolarHBondContact CA-SG 3.39Å; C1396-C1405 HydrophobicContact CB-CB 3.87Å; C1396-C1405 WeakPolarHBondContact CB-SG 3.01Å; C1396-C1405 WeakPolarHBondContact SG-CB 3.38Å; C1396-C1405 CovalentContact SG-SG 2.03Å; C1396-C1405 PolarHBondContact SG-SG 3.44Å; G1402-C1405 VanDerWaalsContact O-CB 3.27Å; G1402-C1405 WeakPolarHBondContact O-CB 3.38Å; G1402-C1405 PolarHBondContact O-N 3.03Å; G1402-C1405 VanDerWaalsContact O-N 3.12Å; G1402-C1405 PolarHBondContact O-SG 3.01Å; C1405-K1407 WeakPolarHBondContact CB-O 3.08Å; C1405-K1407 PolarHBondContact O-N 2.66Å |
| 1406 | D | 71.6 | Confident | 70.8 | Confident | 174 Ų | 174 | 72.4 Ų | 72.4 | 93% | 0.93 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -59.1 | -17.8 | -179.4 | -58.5 | -18.5 | 0 | 0 | 0 | 114.2 | ||
| 1407 | K | 70.9 | Confident | 71 | Confident | 166 Ų | 166 | 72.2 Ų | 72.2 | 72% | 0.722 | 42% | 0.419 | S | S | * | . | trans | -139.8 | 151.9 | 178.1 | -62.2 | -179 | -177.3 | 174.7 | 0 | 109.1 | G1401 G1402 C1405 | G1401-K1407 VanDerWaalsContact CA-O 3.27Å; G1401-K1407 WeakPolarHBondContact CA-O 3.33Å; G1402-K1407 PolarHBondContact N-O 3.34Å; C1405-K1407 WeakPolarHBondContact CB-O 3.08Å; C1405-K1407 PolarHBondContact O-N 2.66Å | ||
| 1408 | C | 74.4 | Confident | 70.7 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 24% | 0.236 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -150.6 | 119.2 | 172.9 | 167.3 | 0 | 0 | 0 | 0 | 107.2 | C1389 C1400 V1418 | C1389-C1408 WeakPolarHBondContact CA-SG 3.14Å; C1389-C1408 HydrophobicContact CB-CB 4.02Å; C1389-C1408 WeakPolarHBondContact CB-SG 3.42Å; C1389-C1408 WeakPolarHBondContact SG-CB 2.94Å; C1389-C1408 CovalentContact SG-SG 2.04Å; C1389-C1408 PolarHBondContact SG-SG 2.86Å; C1400-C1408 CarbonylContact O-C 3.42Å; C1400-C1408 WeakPolarHBondContact O-CA 3.45Å; C1408-V1418 VanDerWaalsContact O-CG1 3.31Å; C1408-V1418 WeakPolarHBondContact O-CG1 3.22Å |
| 1409 | G | 67.9 | Low | 70.5 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 13% | 0.134 | 38% | 0.378 | C | S | . | . | trans | 82.1 | 177.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114 | C1389 C1400 | C1389-G1409 WeakPolarHBondContact O-CA 3.11Å; C1400-G1409 PolarHBondContact O-N 2.97Å | ||
| 1410 | G | 65.7 | Low | 70.5 | Confident | 14 Ų | 14 | 63 Ų | 63 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | trans | 152.1 | 176 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1412 C1413 T1419 | G1410-S1412 PolarHBondContact O-N 3.47Å; G1410-C1413 PolarHBondContact O-N 3.31Å; G1410-T1419 PolarHBondContact N-OG1 3.13Å; G1410-T1419 WeakPolarHBondContact O-CG2 3.27Å | ||
| 1411 | P | 65.8 | Low | 70.1 | Confident | 129 Ų | 129 | 66 Ų | 66 | 84% | 0.838 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.8 | -171.9 | -26.8 | 35.1 | 0 | 0 | 0 | 115.3 | ||
| 1412 | S | 66.4 | Low | 69.7 | Low | 80 Ų | 80 | 70.7 Ų | 70.7 | 56% | 0.559 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -17.6 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 113.8 | L1399 G1410 R1414 | L1399-S1412 WeakPolarHBondContact CD2-OG 2.81Å; G1410-S1412 PolarHBondContact O-N 3.47Å; S1412-R1414 PolarHBondContact O-N 2.03Å |
| 1413 | C | 72.8 | Confident | 69.3 | Low | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.014 | 43% | 0.431 | C | S | . | . | trans | -109 | 62.7 | -159.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | C1389 L1399 C1400 G1410 E1415 G1416 T1419 | C1389-C1413 WeakPolarHBondContact O-CB 3.22Å; L1399-C1413 PolarHBondContact O-SG 2.99Å; L1399-C1413 VanDerWaalsContact O-SG 3.38Å; C1400-C1413 WeakPolarHBondContact CA-SG 3.01Å; C1400-C1413 HydrophobicContact CB-CB 3.77Å; C1400-C1413 WeakPolarHBondContact CB-SG 3.06Å; C1400-C1413 WeakPolarHBondContact SG-CB 3.49Å; C1400-C1413 CovalentContact SG-SG 2.03Å; C1400-C1413 PolarHBondContact SG-SG 3.05Å; G1410-C1413 PolarHBondContact O-N 3.31Å; C1413-E1415 VanDerWaalsContact C-N 3.28Å; C1413-E1415 PolarHBondContact O-N 3.12Å; C1413-G1416 PolarHBondContact O-N 3.26Å; C1413-T1419 VanDerWaalsContact O-CB 3.28Å; C1413-T1419 WeakPolarHBondContact O-CB 3.42Å; C1413-T1419 PolarHBondContact O-OG1 3.09Å | ||
| 1414 | R | 68.2 | Low | 69.4 | Low | 190 Ų | 190 | 75.9 Ų | 75.9 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.6 | -163.6 | -61.9 | -177.9 | 178.1 | -172.6 | -1.6 | 115.6 | S1412 K1420 | S1412-R1414 PolarHBondContact O-N 2.03Å; R1414-K1420 WeakPolarHBondContact O-CE 3.39Å |
| 1415 | E | 71.9 | Confident | 69.4 | Low | 126 Ų | 126 | 78 Ų | 78 | 59% | 0.589 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -18.2 | -177.8 | -70.7 | -61.3 | 166.1 | 0 | 0 | 114.2 | C1413 K1420 | C1413-E1415 VanDerWaalsContact C-N 3.28Å; C1413-E1415 PolarHBondContact O-N 3.12Å; E1415-K1420 WeakPolarHBondContact O-CE 2.92Å; E1415-K1420 PolarHBondContact O-NZ 3.33Å; E1415-K1420 IonicContact OE2-NZ 3.8Å; E1415-K1420 PolarHBondContact OE2-NZ 3.32Å |
| 1416 | G | 73.3 | Confident | 68.9 | Low | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -69.7 | 141.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1388 C1413 V1418 T1419 K1420 | V1388-G1416 CarbonylContact O-C 2.94Å; V1388-G1416 VanDerWaalsContact O-C 3.3Å; V1388-G1416 WeakPolarHBondContact O-CA 3.1Å; C1413-G1416 PolarHBondContact O-N 3.26Å; G1416-V1418 VanDerWaalsContact C-N 3.27Å; G1416-V1418 PolarHBondContact O-N 2.77Å; G1416-T1419 PolarHBondContact O-N 3.41Å; G1416-K1420 WeakPolarHBondContact O-CG 3.48Å; G1416-K1420 PolarHBondContact O-N 2.81Å |
| 1417 | S | 71.7 | Confident | 68.5 | Low | 63 Ų | 63 | 76.9 Ų | 76.9 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -30.1 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | F1387 V1388 S1421 | F1387-S1417 VanDerWaalsContact O-CB 3.29Å; F1387-S1417 WeakPolarHBondContact O-CB 3.38Å; F1387-S1417 PolarHBondContact O-N 3.45Å; F1387-S1417 PolarHBondContact O-OG 2.68Å; V1388-S1417 PolarHBondContact O-N 2.81Å; S1417-S1421 WeakPolarHBondContact O-CA 3.16Å; S1417-S1421 WeakPolarHBondContact O-CB 3.12Å; S1417-S1421 PolarHBondContact O-N 3.18Å |
| 1418 | V | 69.8 | Low | 67.9 | Low | 46 Ų | 46 | 72 Ų | 72 | 28% | 0.279 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.7 | -53.6 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | V1388 C1408 G1416 K1420 S1421 E1422 | V1388-V1418 HydrophobicContact CG1-CG2 3.86Å; V1388-V1418 PolarHBondContact O-N 3.42Å; C1408-V1418 VanDerWaalsContact O-CG1 3.31Å; C1408-V1418 WeakPolarHBondContact O-CG1 3.22Å; G1416-V1418 VanDerWaalsContact C-N 3.27Å; G1416-V1418 PolarHBondContact O-N 2.77Å; V1418-K1420 VanDerWaalsContact C-N 3.27Å; V1418-K1420 PolarHBondContact O-N 2.93Å; V1418-S1421 CarbonylContact O-C 3.23Å; V1418-S1421 PolarHBondContact O-N 3.12Å; V1418-E1422 HydrophobicContact CG1-CG 4.42Å; V1418-E1422 PolarHBondContact O-N 3.24Å |
| 1419 | T | 69.8 | Low | 67.3 | Low | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 177.3 | -39.4 | 0 | 0 | 0 | 0 | 112.2 | G1410 C1413 G1416 Q1423 | G1410-T1419 PolarHBondContact N-OG1 3.13Å; G1410-T1419 WeakPolarHBondContact O-CG2 3.27Å; C1413-T1419 VanDerWaalsContact O-CB 3.28Å; C1413-T1419 WeakPolarHBondContact O-CB 3.42Å; C1413-T1419 PolarHBondContact O-OG1 3.09Å; G1416-T1419 PolarHBondContact O-N 3.41Å; T1419-Q1423 WeakPolarHBondContact O-CB 3.43Å; T1419-Q1423 WeakPolarHBondContact O-CG 3.17Å; T1419-Q1423 PolarHBondContact O-N 2.79Å |
| 1420 | K | 70.4 | Confident | 67.1 | Low | 95 Ų | 95 | 79.7 Ų | 79.7 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.2 | -35.5 | 174.5 | -74.2 | 169.1 | 178.4 | 159.7 | 0 | 112.4 | R1414 E1415 G1416 V1418 A1424 | R1414-K1420 WeakPolarHBondContact O-CE 3.39Å; E1415-K1420 WeakPolarHBondContact O-CE 2.92Å; E1415-K1420 PolarHBondContact O-NZ 3.33Å; E1415-K1420 IonicContact OE2-NZ 3.8Å; E1415-K1420 PolarHBondContact OE2-NZ 3.32Å; G1416-K1420 WeakPolarHBondContact O-CG 3.48Å; G1416-K1420 PolarHBondContact O-N 2.81Å; V1418-K1420 VanDerWaalsContact C-N 3.27Å; V1418-K1420 PolarHBondContact O-N 2.93Å; K1420-A1424 VanDerWaalsContact O-CB 3.24Å; K1420-A1424 WeakPolarHBondContact O-CB 3.33Å; K1420-A1424 PolarHBondContact O-N 3.15Å |
| 1421 | S | 66.7 | Low | 66.8 | Low | 76 Ų | 76 | 79.9 Ų | 79.9 | 53% | 0.531 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -75.3 | -37.2 | 177.6 | -164 | 0 | 0 | 0 | 0 | 111.7 | S1417 V1418 A1424 M1425 | S1417-S1421 WeakPolarHBondContact O-CA 3.16Å; S1417-S1421 WeakPolarHBondContact O-CB 3.12Å; S1417-S1421 PolarHBondContact O-N 3.18Å; V1418-S1421 CarbonylContact O-C 3.23Å; V1418-S1421 PolarHBondContact O-N 3.12Å; S1421-A1424 CarbonylContact O-C 3.47Å; S1421-A1424 PolarHBondContact O-N 3.01Å; S1421-M1425 WeakPolarHBondContact O-CB 3.22Å; S1421-M1425 PolarHBondContact O-N 3.33Å |
| 1422 | E | 66.3 | Low | 66.7 | Low | 104 Ų | 104 | 76.8 Ų | 76.8 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 168.2 | -73.8 | -175.8 | 139.9 | 0 | 0 | 110.9 | V1418 A1424 M1425 Q1426 | V1418-E1422 HydrophobicContact CG1-CG 4.42Å; V1418-E1422 PolarHBondContact O-N 3.24Å; E1422-A1424 VanDerWaalsContact C-N 3.3Å; E1422-A1424 PolarHBondContact O-N 3.17Å; E1422-M1425 PolarHBondContact O-N 2.85Å; E1422-Q1426 WeakPolarHBondContact O-CB 3.3Å; E1422-Q1426 PolarHBondContact O-N 3Å |
| 1423 | Q | 66.5 | Low | 66.7 | Low | 106 Ų | 106 | 78.1 Ų | 78.1 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 174.3 | -75.1 | 174.3 | 23.9 | 0 | 0 | 112.7 | T1419 F1427 | T1419-Q1423 WeakPolarHBondContact O-CB 3.43Å; T1419-Q1423 WeakPolarHBondContact O-CG 3.17Å; T1419-Q1423 PolarHBondContact O-N 2.79Å; Q1423-F1427 WeakPolarHBondContact O-CB 3.01Å; Q1423-F1427 PolarHBondContact O-N 3.29Å |
| 1424 | A | 66.6 | Low | 66.3 | Low | 55 Ų | 55 | 84.2 Ų | 84.2 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.8 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1420 S1421 E1422 S1428 | K1420-A1424 VanDerWaalsContact O-CB 3.24Å; K1420-A1424 WeakPolarHBondContact O-CB 3.33Å; K1420-A1424 PolarHBondContact O-N 3.15Å; S1421-A1424 CarbonylContact O-C 3.47Å; S1421-A1424 PolarHBondContact O-N 3.01Å; E1422-A1424 VanDerWaalsContact C-N 3.3Å; E1422-A1424 PolarHBondContact O-N 3.17Å; A1424-S1428 WeakPolarHBondContact O-CA 3.4Å; A1424-S1428 WeakPolarHBondContact O-CB 3.27Å; A1424-S1428 PolarHBondContact O-N 2.85Å |
| 1425 | M | 65.8 | Low | 65.9 | Low | 131 Ų | 131 | 79.7 Ų | 79.7 | 65% | 0.645 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -73.4 | -41.7 | 177 | -174.9 | -179.8 | 74.6 | 0 | 0 | 110.8 | S1421 E1422 S1428 K1429 | S1421-M1425 WeakPolarHBondContact O-CB 3.22Å; S1421-M1425 PolarHBondContact O-N 3.33Å; E1422-M1425 PolarHBondContact O-N 2.85Å; M1425-S1428 CarbonylContact O-C 3.45Å; M1425-S1428 PolarHBondContact O-N 2.92Å; M1425-K1429 VanDerWaalsContact O-CB 3.27Å; M1425-K1429 WeakPolarHBondContact O-CB 2.76Å; M1425-K1429 PolarHBondContact O-N 3.03Å |
| 1426 | Q | 64.6 | Low | 65.5 | Low | 121 Ų | 121 | 78.8 Ų | 78.8 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.9 | -42.4 | 172.9 | -178 | 164.4 | -9.2 | 0 | 0 | 110.7 | E1422 S1428 K1429 E1430 | E1422-Q1426 WeakPolarHBondContact O-CB 3.3Å; E1422-Q1426 PolarHBondContact O-N 3Å; Q1426-S1428 VanDerWaalsContact C-N 3.34Å; Q1426-S1428 PolarHBondContact O-N 3.41Å; Q1426-K1429 PolarHBondContact O-N 3.06Å; Q1426-E1430 HydrophobicContact CG-CG 4.42Å; Q1426-E1430 WeakPolarHBondContact CG-OE1 3.22Å; Q1426-E1430 PolarHBondContact NE2-OE1 3.33Å; Q1426-E1430 VanDerWaalsContact O-CB 3.31Å; Q1426-E1430 WeakPolarHBondContact O-CB 3.26Å; Q1426-E1430 VanDerWaalsContact O-CG 3.3Å; Q1426-E1430 WeakPolarHBondContact O-CG 2.82Å; Q1426-E1430 PolarHBondContact O-N 3.47Å |
| 1427 | F | 62.6 | Low | 65.2 | Low | 57 Ų | 57 | 82 Ų | 82 | 25% | 0.25 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 171.4 | 179.8 | -103.7 | 0 | 0 | 0 | 112.6 | Q1423 A1431 L1647 K1651 | Q1423-F1427 WeakPolarHBondContact O-CB 3.01Å; Q1423-F1427 PolarHBondContact O-N 3.29Å; F1427-A1431 WeakPolarHBondContact O-CA 3.07Å; F1427-A1431 WeakPolarHBondContact O-CB 3.16Å; F1427-A1431 PolarHBondContact O-N 3.01Å; F1427-L1647 HydrophobicContact CE1-CB 4.32Å; F1427-L1647 HydrophobicContact CE1-CD1 4.4Å; F1427-L1647 HydrophobicContact CE2-CB 3.98Å; F1427-L1647 HydrophobicContact CZ-CB 3.44Å; F1427-L1647 VanDerWaalsContact CZ-CB 3.44Å; F1427-L1647 HydrophobicContact CZ-CD1 4.2Å; F1427-L1647 HydrophobicContact CZ-CG 4.41Å; F1427-K1651 HydrophobicContact CD2-CD 4.31Å; F1427-K1651 HydrophobicContact CE2-CD 4.18Å |
| 1428 | S | 57.6 | Low | 64.8 | Low | 65 Ų | 65 | 84.7 Ų | 84.7 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.8 | -34.9 | 176 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | A1424 M1425 Q1426 S1432 | A1424-S1428 WeakPolarHBondContact O-CA 3.4Å; A1424-S1428 WeakPolarHBondContact O-CB 3.27Å; A1424-S1428 PolarHBondContact O-N 2.85Å; M1425-S1428 CarbonylContact O-C 3.45Å; M1425-S1428 PolarHBondContact O-N 2.92Å; Q1426-S1428 VanDerWaalsContact C-N 3.34Å; Q1426-S1428 PolarHBondContact O-N 3.41Å; S1428-S1432 WeakPolarHBondContact O-CB 3.47Å; S1428-S1432 PolarHBondContact O-N 3.21Å; S1428-S1432 PolarHBondContact O-OG 3.41Å |
| 1429 | K | 63.7 | Low | 64.5 | Low | 129 Ų | 129 | 87.6 Ų | 87.6 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.6 | -49.9 | 173.9 | -175.9 | 174.9 | 173.3 | 179.6 | 0 | 110.8 | M1425 Q1426 A1431 S1432 E1433 | M1425-K1429 VanDerWaalsContact O-CB 3.27Å; M1425-K1429 WeakPolarHBondContact O-CB 2.76Å; M1425-K1429 PolarHBondContact O-N 3.03Å; Q1426-K1429 PolarHBondContact O-N 3.06Å; K1429-A1431 VanDerWaalsContact C-N 3.26Å; K1429-A1431 PolarHBondContact O-N 3.1Å; K1429-S1432 PolarHBondContact O-N 2.84Å; K1429-S1432 VanDerWaalsContact O-N 3.14Å; K1429-E1433 WeakPolarHBondContact CE-OE1 3.47Å; K1429-E1433 HydrophobicContact CG-CG 4.34Å; K1429-E1433 IonicContact NZ-OE1 2.94Å; K1429-E1433 WeakPolarHBondContact O-CB 3.36Å; K1429-E1433 WeakPolarHBondContact O-CG 3.12Å; K1429-E1433 PolarHBondContact O-N 3.3Å |
| 1430 | E | 62.4 | Low | 64.5 | Low | 80 Ų | 80 | 94.8 Ų | 94.8 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.2 | -36.8 | 172.5 | -73.1 | 172.1 | -162.7 | 0 | 0 | 111.9 | Q1426 K1434 | Q1426-E1430 HydrophobicContact CG-CG 4.42Å; Q1426-E1430 WeakPolarHBondContact CG-OE1 3.22Å; Q1426-E1430 PolarHBondContact NE2-OE1 3.33Å; Q1426-E1430 VanDerWaalsContact O-CB 3.31Å; Q1426-E1430 WeakPolarHBondContact O-CB 3.26Å; Q1426-E1430 VanDerWaalsContact O-CG 3.3Å; Q1426-E1430 WeakPolarHBondContact O-CG 2.82Å; Q1426-E1430 PolarHBondContact O-N 3.47Å; E1430-K1434 VanDerWaalsContact O-CB 3.24Å; E1430-K1434 WeakPolarHBondContact O-CB 3.05Å; E1430-K1434 VanDerWaalsContact O-CG 3.28Å; E1430-K1434 WeakPolarHBondContact O-CG 3.44Å; E1430-K1434 PolarHBondContact O-N 2.84Å |
| 1431 | A | 60.3 | Low | 64.4 | Low | 17 Ų | 17 | 97.3 Ų | 97.3 | 14% | 0.14 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1427 K1429 K1434 L1435 L1647 | F1427-A1431 WeakPolarHBondContact O-CA 3.07Å; F1427-A1431 WeakPolarHBondContact O-CB 3.16Å; F1427-A1431 PolarHBondContact O-N 3.01Å; K1429-A1431 VanDerWaalsContact C-N 3.26Å; K1429-A1431 PolarHBondContact O-N 3.1Å; A1431-K1434 CarbonylContact O-C 3.49Å; A1431-K1434 PolarHBondContact O-N 3.03Å; A1431-L1435 VanDerWaalsContact O-CB 3.3Å; A1431-L1435 WeakPolarHBondContact O-CB 2.91Å; A1431-L1435 PolarHBondContact O-N 3.13Å; A1431-L1647 HydrophobicContact CB-CD1 3.81Å |
| 1432 | S | 63.4 | Low | 64.1 | Low | 64 Ų | 64 | 95.5 Ų | 95.5 | 45% | 0.448 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 179.8 | -60 | 0 | 0 | 0 | 0 | 112.3 | S1428 K1429 L1435 E1436 | S1428-S1432 WeakPolarHBondContact O-CB 3.47Å; S1428-S1432 PolarHBondContact O-N 3.21Å; S1428-S1432 PolarHBondContact O-OG 3.41Å; K1429-S1432 PolarHBondContact O-N 2.84Å; K1429-S1432 VanDerWaalsContact O-N 3.14Å; S1432-L1435 PolarHBondContact O-N 2.83Å; S1432-E1436 WeakPolarHBondContact O-CB 3.31Å; S1432-E1436 PolarHBondContact O-N 3.16Å |
| 1433 | E | 67.1 | Low | 64.2 | Low | 109 Ų | 109 | 94.3 Ų | 94.3 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 172.8 | -73.9 | 174.5 | 174.8 | 0 | 0 | 110.4 | K1429 E1437 | K1429-E1433 WeakPolarHBondContact CE-OE1 3.47Å; K1429-E1433 HydrophobicContact CG-CG 4.34Å; K1429-E1433 IonicContact NZ-OE1 2.94Å; K1429-E1433 WeakPolarHBondContact O-CB 3.36Å; K1429-E1433 WeakPolarHBondContact O-CG 3.12Å; K1429-E1433 PolarHBondContact O-N 3.3Å; E1433-E1437 WeakPolarHBondContact O-CB 3.24Å; E1433-E1437 PolarHBondContact O-N 2.82Å |
| 1434 | K | 62.6 | Low | 64 | Low | 129 Ų | 129 | 93.8 Ų | 93.8 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.5 | -37.1 | 170.7 | -76.1 | 178 | 179.4 | 171 | 0 | 112.1 | E1430 A1431 E1437 K1438 | E1430-K1434 VanDerWaalsContact O-CB 3.24Å; E1430-K1434 WeakPolarHBondContact O-CB 3.05Å; E1430-K1434 VanDerWaalsContact O-CG 3.28Å; E1430-K1434 WeakPolarHBondContact O-CG 3.44Å; E1430-K1434 PolarHBondContact O-N 2.84Å; A1431-K1434 CarbonylContact O-C 3.49Å; A1431-K1434 PolarHBondContact O-N 3.03Å; K1434-E1437 PolarHBondContact O-N 3.17Å; K1434-K1438 WeakPolarHBondContact O-CB 3.45Å; K1434-K1438 VanDerWaalsContact O-CG 3.22Å; K1434-K1438 WeakPolarHBondContact O-CG 3.38Å; K1434-K1438 PolarHBondContact O-N 3.39Å |
| 1435 | L | 60 | Low | 63.9 | Low | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.5 | -48.1 | 177.2 | -131 | 82.7 | 0 | 0 | 0 | 110.3 | A1431 S1432 K1438 Q1439 | A1431-L1435 VanDerWaalsContact O-CB 3.3Å; A1431-L1435 WeakPolarHBondContact O-CB 2.91Å; A1431-L1435 PolarHBondContact O-N 3.13Å; S1432-L1435 PolarHBondContact O-N 2.83Å; L1435-K1438 CarbonylContact O-C 3.59Å; L1435-K1438 PolarHBondContact O-N 3.09Å; L1435-Q1439 WeakPolarHBondContact O-CA 3.46Å; L1435-Q1439 WeakPolarHBondContact O-CB 3.43Å; L1435-Q1439 PolarHBondContact O-N 2.02Å |
| 1436 | E | 65.1 | Low | 63.9 | Low | 107 Ų | 107 | 93.3 Ų | 93.3 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 174.8 | -84.9 | -154.7 | 171.9 | 0 | 0 | 112 | S1432 K1438 Q1439 R1440 | S1432-E1436 WeakPolarHBondContact O-CB 3.31Å; S1432-E1436 PolarHBondContact O-N 3.16Å; E1436-K1438 VanDerWaalsContact C-N 3.35Å; E1436-K1438 PolarHBondContact O-N 3.08Å; E1436-Q1439 PolarHBondContact O-N 3.25Å; E1436-R1440 VanDerWaalsContact O-CB 3.32Å; E1436-R1440 WeakPolarHBondContact O-CB 3.18Å; E1436-R1440 VanDerWaalsContact O-CG 3.28Å; E1436-R1440 WeakPolarHBondContact O-CG 3.17Å; E1436-R1440 PolarHBondContact O-N 2.87Å; E1436-R1440 IonicContact OE2-CZ 3.59Å; E1436-R1440 IonicContact OE2-NE 2.87Å; E1436-R1440 IonicContact OE2-NH2 2.67Å; E1436-R1440 PolarHBondContact OE2-NH2 2.88Å |
| 1437 | E | 65.8 | Low | 63.7 | Low | 68 Ų | 68 | 91.7 Ų | 91.7 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.1 | -168.6 | -145.9 | -168.1 | 0 | 0 | 110.3 | E1433 K1434 R1441 | E1433-E1437 WeakPolarHBondContact O-CB 3.24Å; E1433-E1437 PolarHBondContact O-N 2.82Å; K1434-E1437 PolarHBondContact O-N 3.17Å; E1437-R1441 WeakPolarHBondContact O-CB 3.12Å; E1437-R1441 WeakPolarHBondContact O-CG 3.25Å; E1437-R1441 PolarHBondContact O-N 3.06Å; E1437-R1441 IonicContact OE1-CZ 2.89Å; E1437-R1441 IonicContact OE1-NE 3.78Å; E1437-R1441 PolarHBondContact OE1-NE 3.26Å; E1437-R1441 IonicContact OE1-NH2 3.86Å; E1437-R1441 PolarHBondContact OE1-NH2 2.86Å |
| 1438 | K | 64 | Low | 63.9 | Low | 119 Ų | 119 | 96.8 Ų | 96.8 | 52% | 0.517 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.6 | -33 | 174.8 | -63.9 | -46.1 | 172 | -135.1 | 0 | 112.3 | K1434 L1435 E1436 A1442 | K1434-K1438 WeakPolarHBondContact O-CB 3.45Å; K1434-K1438 VanDerWaalsContact O-CG 3.22Å; K1434-K1438 WeakPolarHBondContact O-CG 3.38Å; K1434-K1438 PolarHBondContact O-N 3.39Å; L1435-K1438 CarbonylContact O-C 3.59Å; L1435-K1438 PolarHBondContact O-N 3.09Å; E1436-K1438 VanDerWaalsContact C-N 3.35Å; E1436-K1438 PolarHBondContact O-N 3.08Å; K1438-A1442 WeakPolarHBondContact O-CA 3.27Å; K1438-A1442 WeakPolarHBondContact O-CB 3.02Å; K1438-A1442 PolarHBondContact O-N 3.41Å |
| 1439 | Q | 63.9 | Low | 64.1 | Low | 108 Ų | 108 | 98.6 Ų | 98.6 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.3 | -41.4 | 178.3 | -170.3 | 68.4 | 37.2 | 0 | 0 | 111.6 | L1435 E1436 A1442 N1443 | L1435-Q1439 WeakPolarHBondContact O-CA 3.46Å; L1435-Q1439 WeakPolarHBondContact O-CB 3.43Å; L1435-Q1439 PolarHBondContact O-N 2.02Å; E1436-Q1439 PolarHBondContact O-N 3.25Å; Q1439-A1442 PolarHBondContact O-N 3.02Å; Q1439-N1443 PolarHBondContact NE2-OD1 3.35Å; Q1439-N1443 WeakPolarHBondContact O-CB 3.5Å; Q1439-N1443 PolarHBondContact O-N 3Å; Q1439-N1443 PolarHBondContact O-OD1 3.2Å |
| 1440 | R | 69.1 | Low | 64.3 | Low | 155 Ų | 155 | 100.6 Ų | 100.6 | 59% | 0.585 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.6 | -44.1 | 172.4 | -69.1 | -174.3 | -139.6 | 167.6 | 4.5 | 110.5 | E1436 A1442 N1443 M1444 | E1436-R1440 VanDerWaalsContact O-CB 3.32Å; E1436-R1440 WeakPolarHBondContact O-CB 3.18Å; E1436-R1440 VanDerWaalsContact O-CG 3.28Å; E1436-R1440 WeakPolarHBondContact O-CG 3.17Å; E1436-R1440 PolarHBondContact O-N 2.87Å; E1436-R1440 IonicContact OE2-CZ 3.59Å; E1436-R1440 IonicContact OE2-NE 2.87Å; E1436-R1440 IonicContact OE2-NH2 2.67Å; E1436-R1440 PolarHBondContact OE2-NH2 2.88Å; R1440-A1442 VanDerWaalsContact C-N 3.33Å; R1440-A1442 PolarHBondContact O-N 2.83Å; R1440-N1443 PolarHBondContact O-N 3.33Å; R1440-M1444 HydrophobicContact CB-CE 4.26Å; R1440-M1444 VanDerWaalsContact O-CB 3.28Å; R1440-M1444 WeakPolarHBondContact O-CB 3.39Å; R1440-M1444 WeakPolarHBondContact O-CE 3.29Å; R1440-M1444 WeakPolarHBondContact O-CG 3.48Å; R1440-M1444 PolarHBondContact O-N 2.62Å |
| 1441 | R | 68.3 | Low | 64.5 | Low | 149 Ų | 149 | 102.8 Ų | 102.8 | 56% | 0.562 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.5 | -39.9 | 171.9 | -72.6 | 175.3 | -173.3 | -123.4 | 4.6 | 111.3 | E1437 L1445 | E1437-R1441 WeakPolarHBondContact O-CB 3.12Å; E1437-R1441 WeakPolarHBondContact O-CG 3.25Å; E1437-R1441 PolarHBondContact O-N 3.06Å; E1437-R1441 IonicContact OE1-CZ 2.89Å; E1437-R1441 IonicContact OE1-NE 3.78Å; E1437-R1441 PolarHBondContact OE1-NE 3.26Å; E1437-R1441 IonicContact OE1-NH2 3.86Å; E1437-R1441 PolarHBondContact OE1-NH2 2.86Å; R1441-L1445 WeakPolarHBondContact O-CB 2.96Å; R1441-L1445 PolarHBondContact O-N 2.69Å |
| 1442 | A | 61.2 | Low | 64.5 | Low | 38 Ų | 38 | 104.5 Ų | 104.5 | 31% | 0.314 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | K1438 Q1439 R1440 L1445 V1446 | K1438-A1442 WeakPolarHBondContact O-CA 3.27Å; K1438-A1442 WeakPolarHBondContact O-CB 3.02Å; K1438-A1442 PolarHBondContact O-N 3.41Å; Q1439-A1442 PolarHBondContact O-N 3.02Å; R1440-A1442 VanDerWaalsContact C-N 3.33Å; R1440-A1442 PolarHBondContact O-N 2.83Å; A1442-L1445 CarbonylContact O-C 3.46Å; A1442-L1445 PolarHBondContact O-N 3.42Å; A1442-L1445 VanDerWaalsContact O-N 3.15Å; A1442-V1446 WeakPolarHBondContact O-CB 3.42Å; A1442-V1446 VanDerWaalsContact O-CG2 3.25Å; A1442-V1446 WeakPolarHBondContact O-CG2 3.4Å; A1442-V1446 PolarHBondContact O-N 3.04Å |
| 1443 | N | 66.7 | Low | 64.3 | Low | 79 Ų | 79 | 106.6 Ų | 106.6 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 176 | -70.6 | 0.2 | 0 | 0 | 0 | 110.7 | Q1439 R1440 L1445 V1446 D1447 | Q1439-N1443 PolarHBondContact NE2-OD1 3.35Å; Q1439-N1443 WeakPolarHBondContact O-CB 3.5Å; Q1439-N1443 PolarHBondContact O-N 3Å; Q1439-N1443 PolarHBondContact O-OD1 3.2Å; R1440-N1443 PolarHBondContact O-N 3.33Å; N1443-L1445 PolarHBondContact O-N 2.71Å; N1443-V1446 CarbonylContact O-C 3.57Å; N1443-V1446 PolarHBondContact O-N 3.27Å; N1443-V1446 VanDerWaalsContact O-N 3.08Å; N1443-D1447 PolarHBondContact O-N 2.96Å |
| 1444 | M | 64.2 | Low | 64.3 | Low | 94 Ų | 94 | 104.4 Ų | 104.4 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -29.5 | 172.9 | -79.3 | -171.4 | -83.4 | 0 | 0 | 113.4 | R1440 R1448 | R1440-M1444 HydrophobicContact CB-CE 4.26Å; R1440-M1444 VanDerWaalsContact O-CB 3.28Å; R1440-M1444 WeakPolarHBondContact O-CB 3.39Å; R1440-M1444 WeakPolarHBondContact O-CE 3.29Å; R1440-M1444 WeakPolarHBondContact O-CG 3.48Å; R1440-M1444 PolarHBondContact O-N 2.62Å; M1444-R1448 VanDerWaalsContact O-CB 3.26Å; M1444-R1448 WeakPolarHBondContact O-CB 3.45Å; M1444-R1448 WeakPolarHBondContact O-CG 3.27Å; M1444-R1448 PolarHBondContact O-N 2.81Å; M1444-R1448 PolarHBondContact O-NE 3.13Å; M1444-R1448 VanDerWaalsContact O-NE 3.1Å |
| 1445 | L | 64.6 | Low | 64.4 | Low | 101 Ų | 101 | 103.1 Ų | 103.1 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -78.2 | -35.6 | 173.8 | -167.7 | 73.8 | 0 | 0 | 0 | 110.8 | R1441 A1442 N1443 L1449 | R1441-L1445 WeakPolarHBondContact O-CB 2.96Å; R1441-L1445 PolarHBondContact O-N 2.69Å; A1442-L1445 CarbonylContact O-C 3.46Å; A1442-L1445 PolarHBondContact O-N 3.42Å; A1442-L1445 VanDerWaalsContact O-N 3.15Å; N1443-L1445 PolarHBondContact O-N 2.71Å; L1445-L1449 HydrophobicContact CD2-CD1 4.41Å; L1445-L1449 HydrophobicContact CG-CD1 4.01Å; L1445-L1449 HydrophobicContact CG-CG 4.44Å; L1445-L1449 WeakPolarHBondContact O-CA 3.38Å; L1445-L1449 WeakPolarHBondContact O-CB 3.12Å; L1445-L1449 WeakPolarHBondContact O-CD1 3.15Å; L1445-L1449 WeakPolarHBondContact O-CG 3.34Å; L1445-L1449 PolarHBondContact O-N 2.78Å |
| 1446 | V | 64.2 | Low | 64.1 | Low | 76 Ų | 76 | 102.1 Ų | 102.1 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.2 | -41 | 176.7 | 164.7 | 0 | 0 | 0 | 0 | 111.3 | A1442 N1443 L1449 R1450 | A1442-V1446 WeakPolarHBondContact O-CB 3.42Å; A1442-V1446 VanDerWaalsContact O-CG2 3.25Å; A1442-V1446 WeakPolarHBondContact O-CG2 3.4Å; A1442-V1446 PolarHBondContact O-N 3.04Å; N1443-V1446 CarbonylContact O-C 3.57Å; N1443-V1446 PolarHBondContact O-N 3.27Å; N1443-V1446 VanDerWaalsContact O-N 3.08Å; V1446-L1449 CarbonylContact O-C 3.59Å; V1446-L1449 PolarHBondContact O-N 3.11Å; V1446-R1450 WeakPolarHBondContact O-CB 3.3Å; V1446-R1450 PolarHBondContact O-N 3.5Å |
| 1447 | D | 62.1 | Low | 64 | Low | 86 Ų | 86 | 102.1 Ų | 102.1 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.9 | -39 | 174.9 | -73.4 | -32.6 | 0 | 0 | 0 | 111.4 | N1443 L1449 R1450 H1451 | N1443-D1447 PolarHBondContact O-N 2.96Å; D1447-L1449 VanDerWaalsContact C-N 3.35Å; D1447-R1450 PolarHBondContact O-N 2.87Å; D1447-H1451 PolarHBondContact O-N 2.65Å; D1447-H1451 PolarHBondContact O-ND1 2.97Å |
| 1448 | R | 66.5 | Low | 64 | Low | 164 Ų | 164 | 103.8 Ų | 103.8 | 62% | 0.619 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -36.8 | 168.7 | -83.1 | -176.3 | -90.3 | -174.1 | -16.8 | 112.5 | M1444 A1452 | M1444-R1448 VanDerWaalsContact O-CB 3.26Å; M1444-R1448 WeakPolarHBondContact O-CB 3.45Å; M1444-R1448 WeakPolarHBondContact O-CG 3.27Å; M1444-R1448 PolarHBondContact O-N 2.81Å; M1444-R1448 PolarHBondContact O-NE 3.13Å; M1444-R1448 VanDerWaalsContact O-NE 3.1Å; R1448-A1452 WeakPolarHBondContact O-CB 3.33Å; R1448-A1452 PolarHBondContact O-N 2.8Å |
| 1449 | L | 61.8 | Low | 63.9 | Low | 103 Ų | 103 | 100.6 Ų | 100.6 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.9 | -33.7 | 174.4 | -81.1 | 165 | 0 | 0 | 0 | 111.3 | L1445 V1446 D1447 Q1453 | L1445-L1449 HydrophobicContact CD2-CD1 4.41Å; L1445-L1449 HydrophobicContact CG-CD1 4.01Å; L1445-L1449 HydrophobicContact CG-CG 4.44Å; L1445-L1449 WeakPolarHBondContact O-CA 3.38Å; L1445-L1449 WeakPolarHBondContact O-CB 3.12Å; L1445-L1449 WeakPolarHBondContact O-CD1 3.15Å; L1445-L1449 WeakPolarHBondContact O-CG 3.34Å; L1445-L1449 PolarHBondContact O-N 2.78Å; V1446-L1449 CarbonylContact O-C 3.59Å; V1446-L1449 PolarHBondContact O-N 3.11Å; D1447-L1449 VanDerWaalsContact C-N 3.35Å; L1449-Q1453 WeakPolarHBondContact O-CA 3.42Å; L1449-Q1453 WeakPolarHBondContact O-CB 3.4Å; L1449-Q1453 PolarHBondContact O-N 2.87Å |
| 1450 | R | 67.1 | Low | 64.1 | Low | 171 Ų | 171 | 99.3 Ų | 99.3 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.1 | -45.4 | 173.8 | -95 | -179.5 | 154.5 | -176.7 | -7.4 | 112.4 | V1446 D1447 Q1453 S1454 | V1446-R1450 WeakPolarHBondContact O-CB 3.3Å; V1446-R1450 PolarHBondContact O-N 3.5Å; D1447-R1450 PolarHBondContact O-N 2.87Å; R1450-Q1453 PolarHBondContact O-N 3.37Å; R1450-S1454 WeakPolarHBondContact O-CB 3.45Å; R1450-S1454 PolarHBondContact O-N 2.99Å |
| 1451 | H | 65.6 | Low | 64.1 | Low | 126 Ų | 126 | 97.6 Ų | 97.6 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -49.3 | 174.6 | -73.4 | 74.4 | 0 | 0 | 0 | 110.2 | D1447 Q1453 S1454 D1455 | D1447-H1451 PolarHBondContact O-N 2.65Å; D1447-H1451 PolarHBondContact O-ND1 2.97Å; H1451-Q1453 VanDerWaalsContact C-N 3.25Å; H1451-Q1453 PolarHBondContact O-N 2.72Å; H1451-S1454 WeakPolarHBondContact O-CB 3.18Å; H1451-S1454 PolarHBondContact O-N 2.67Å; H1451-S1454 VanDerWaalsContact O-N 3.12Å; H1451-D1455 WeakPolarHBondContact O-CB 3.07Å; H1451-D1455 VanDerWaalsContact O-CG 3.25Å; H1451-D1455 PolarHBondContact O-N 2.58Å |
| 1452 | A | 60.8 | Low | 63.8 | Low | 53 Ų | 53 | 93.9 Ų | 93.9 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -27.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1448 S1456 | R1448-A1452 WeakPolarHBondContact O-CB 3.33Å; R1448-A1452 PolarHBondContact O-N 2.8Å; A1452-S1456 WeakPolarHBondContact O-CA 3.02Å; A1452-S1456 WeakPolarHBondContact O-CB 3.38Å; A1452-S1456 PolarHBondContact O-N 3.27Å |
| 1453 | Q | 60.5 | Low | 63.8 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.7 | -46.1 | 171.7 | 177.3 | -179.3 | -5.6 | 0 | 0 | 110.3 | L1449 R1450 H1451 S1456 E1457 | L1449-Q1453 WeakPolarHBondContact O-CA 3.42Å; L1449-Q1453 WeakPolarHBondContact O-CB 3.4Å; L1449-Q1453 PolarHBondContact O-N 2.87Å; R1450-Q1453 PolarHBondContact O-N 3.37Å; H1451-Q1453 VanDerWaalsContact C-N 3.25Å; H1451-Q1453 PolarHBondContact O-N 2.72Å; Q1453-S1456 CarbonylContact O-C 3.59Å; Q1453-S1456 PolarHBondContact O-N 2.77Å; Q1453-E1457 HydrophobicContact CG-CG 4.34Å; Q1453-E1457 WeakPolarHBondContact CG-OE1 3.3Å; Q1453-E1457 PolarHBondContact NE2-OE1 2.72Å; Q1453-E1457 VanDerWaalsContact O-CB 3.32Å; Q1453-E1457 WeakPolarHBondContact O-CB 3.3Å; Q1453-E1457 WeakPolarHBondContact O-CG 3.37Å; Q1453-E1457 PolarHBondContact O-N 2.77Å |
| 1454 | S | 65.9 | Low | 64 | Low | 63 Ų | 63 | 96.7 Ų | 96.7 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 175.9 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | R1450 H1451 E1457 L1458 | R1450-S1454 WeakPolarHBondContact O-CB 3.45Å; R1450-S1454 PolarHBondContact O-N 2.99Å; H1451-S1454 WeakPolarHBondContact O-CB 3.18Å; H1451-S1454 PolarHBondContact O-N 2.67Å; H1451-S1454 VanDerWaalsContact O-N 3.12Å; S1454-E1457 PolarHBondContact O-N 2.87Å; S1454-L1458 WeakPolarHBondContact O-CG 3.02Å; S1454-L1458 PolarHBondContact O-N 2.71Å |
| 1455 | D | 64.8 | Low | 64.2 | Low | 101 Ų | 101 | 97.2 Ų | 97.2 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 177.3 | -64.2 | -20.4 | 0 | 0 | 0 | 111.4 | H1451 A1459 | H1451-D1455 WeakPolarHBondContact O-CB 3.07Å; H1451-D1455 VanDerWaalsContact O-CG 3.25Å; H1451-D1455 PolarHBondContact O-N 2.58Å; D1455-A1459 WeakPolarHBondContact O-CB 3.43Å; D1455-A1459 PolarHBondContact O-N 2.85Å |
| 1456 | S | 54.6 | Low | 64.1 | Low | 74 Ų | 74 | 93.8 Ų | 93.8 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.7 | -30 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | A1452 Q1453 L1460 | A1452-S1456 WeakPolarHBondContact O-CA 3.02Å; A1452-S1456 WeakPolarHBondContact O-CB 3.38Å; A1452-S1456 PolarHBondContact O-N 3.27Å; Q1453-S1456 CarbonylContact O-C 3.59Å; Q1453-S1456 PolarHBondContact O-N 2.77Å; S1456-L1460 WeakPolarHBondContact O-CA 3.47Å; S1456-L1460 WeakPolarHBondContact O-CB 3.4Å; S1456-L1460 PolarHBondContact O-N 2.58Å |
| 1457 | E | 62.5 | Low | 64.3 | Low | 107 Ų | 107 | 97.9 Ų | 97.9 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72 | -41.5 | 174.3 | -81.6 | 178.8 | -162.9 | 0 | 0 | 111 | Q1453 S1454 L1460 L1461 | Q1453-E1457 HydrophobicContact CG-CG 4.34Å; Q1453-E1457 WeakPolarHBondContact CG-OE1 3.3Å; Q1453-E1457 PolarHBondContact NE2-OE1 2.72Å; Q1453-E1457 VanDerWaalsContact O-CB 3.32Å; Q1453-E1457 WeakPolarHBondContact O-CB 3.3Å; Q1453-E1457 WeakPolarHBondContact O-CG 3.37Å; Q1453-E1457 PolarHBondContact O-N 2.77Å; S1454-E1457 PolarHBondContact O-N 2.87Å; E1457-L1460 PolarHBondContact O-N 3.4Å; E1457-L1461 PolarHBondContact O-N 3.4Å |
| 1458 | L | 65.6 | Low | 64.8 | Low | 104 Ų | 104 | 95.2 Ų | 95.2 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -49.9 | 170.3 | -73.5 | 169.9 | 0 | 0 | 0 | 111.3 | S1454 L1460 L1461 D1462 | S1454-L1458 WeakPolarHBondContact O-CG 3.02Å; S1454-L1458 PolarHBondContact O-N 2.71Å; L1458-L1460 VanDerWaalsContact C-N 3.27Å; L1458-L1460 PolarHBondContact O-N 2.83Å; L1458-L1461 WeakPolarHBondContact O-CB 3.33Å; L1458-L1461 PolarHBondContact O-N 2.66Å; L1458-L1461 VanDerWaalsContact O-N 3.11Å; L1458-D1462 PolarHBondContact O-N 3.3Å |
| 1459 | A | 61.4 | Low | 64.9 | Low | 51 Ų | 51 | 89 Ų | 89 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -30.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1455 A1463 | D1455-A1459 WeakPolarHBondContact O-CB 3.43Å; D1455-A1459 PolarHBondContact O-N 2.85Å; A1459-A1463 WeakPolarHBondContact O-CA 3.29Å; A1459-A1463 WeakPolarHBondContact O-CB 3.26Å; A1459-A1463 PolarHBondContact O-N 2.85Å |
| 1460 | L | 67.7 | Low | 65.1 | Low | 81 Ų | 81 | 86.7 Ų | 86.7 | 42% | 0.424 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.9 | -34.5 | 173.6 | 179.3 | 66.2 | 0 | 0 | 0 | 111.7 | S1456 E1457 L1458 K1464 | S1456-L1460 WeakPolarHBondContact O-CA 3.47Å; S1456-L1460 WeakPolarHBondContact O-CB 3.4Å; S1456-L1460 PolarHBondContact O-N 2.58Å; E1457-L1460 PolarHBondContact O-N 3.4Å; L1458-L1460 VanDerWaalsContact C-N 3.27Å; L1458-L1460 PolarHBondContact O-N 2.83Å; L1460-K1464 HydrophobicContact CD1-CD 4.3Å; L1460-K1464 HydrophobicContact CD1-CG 4.23Å; L1460-K1464 HydrophobicContact CG-CD 4.11Å; L1460-K1464 HydrophobicContact CG-CG 4.45Å; L1460-K1464 WeakPolarHBondContact O-CB 3.3Å; L1460-K1464 WeakPolarHBondContact O-CG 3.49Å; L1460-K1464 PolarHBondContact O-N 2.8Å |
| 1461 | L | 69.2 | Low | 65.4 | Low | 119 Ų | 119 | 81 Ų | 81 | 62% | 0.623 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.4 | -54.1 | 172.5 | -100.5 | 158.4 | 0 | 0 | 0 | 110.7 | E1457 L1458 A1463 K1464 E1465 | E1457-L1461 PolarHBondContact O-N 3.4Å; L1458-L1461 WeakPolarHBondContact O-CB 3.33Å; L1458-L1461 PolarHBondContact O-N 2.66Å; L1458-L1461 VanDerWaalsContact O-N 3.11Å; L1461-A1463 PolarHBondContact O-N 3.43Å; L1461-K1464 PolarHBondContact O-N 2.71Å; L1461-E1465 PolarHBondContact O-N 2.86Å |
| 1462 | D | 62.9 | Low | 65.7 | Low | 71 Ų | 71 | 82.4 Ų | 82.4 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.7 | -74.2 | -18.2 | 0 | 0 | 0 | 111.8 | L1458 K1464 E1465 A1466 | L1458-D1462 PolarHBondContact O-N 3.3Å; D1462-K1464 PolarHBondContact O-N 2.97Å; D1462-E1465 PolarHBondContact O-N 2.93Å; D1462-A1466 WeakPolarHBondContact O-CB 3.46Å; D1462-A1466 PolarHBondContact O-N 2.98Å |
| 1463 | A | 61.8 | Low | 66 | Low | 44 Ų | 44 | 82.2 Ų | 82.2 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.7 | -32.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1459 L1461 Y1467 | A1459-A1463 WeakPolarHBondContact O-CA 3.29Å; A1459-A1463 WeakPolarHBondContact O-CB 3.26Å; A1459-A1463 PolarHBondContact O-N 2.85Å; L1461-A1463 PolarHBondContact O-N 3.43Å; A1463-Y1467 WeakPolarHBondContact O-CB 3.32Å; A1463-Y1467 PolarHBondContact O-N 2.91Å |
| 1464 | K | 69.5 | Low | 66.4 | Low | 132 Ų | 132 | 79.6 Ų | 79.6 | 57% | 0.574 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.3 | -40.2 | 172.6 | -84.1 | 172.3 | 177.4 | 171.5 | 0 | 111.6 | L1460 L1461 D1462 G1468 | L1460-K1464 HydrophobicContact CD1-CD 4.3Å; L1460-K1464 HydrophobicContact CD1-CG 4.23Å; L1460-K1464 HydrophobicContact CG-CD 4.11Å; L1460-K1464 HydrophobicContact CG-CG 4.45Å; L1460-K1464 WeakPolarHBondContact O-CB 3.3Å; L1460-K1464 WeakPolarHBondContact O-CG 3.49Å; L1460-K1464 PolarHBondContact O-N 2.8Å; L1461-K1464 PolarHBondContact O-N 2.71Å; D1462-K1464 PolarHBondContact O-N 2.97Å; K1464-G1468 PolarHBondContact O-N 2.65Å |
| 1465 | E | 68.1 | Low | 66.7 | Low | 106 Ų | 106 | 82.1 Ų | 82.1 | 50% | 0.495 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 175.6 | -169.6 | -179.2 | -174.5 | 0 | 0 | 111.3 | L1461 D1462 G1468 T1469 | L1461-E1465 PolarHBondContact O-N 2.86Å; D1462-E1465 PolarHBondContact O-N 2.93Å; E1465-G1468 PolarHBondContact O-N 2.88Å; E1465-T1469 PolarHBondContact O-N 2.69Å; E1465-T1469 VanDerWaalsContact O-N 3.09Å; E1465-T1469 PolarHBondContact O-OG1 3.14Å; E1465-T1469 VanDerWaalsContact O-OG1 3.06Å |
| 1466 | A | 62.8 | Low | 67 | Low | 28 Ų | 28 | 80.7 Ų | 80.7 | 23% | 0.231 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | D1462 T1469 A1470 | D1462-A1466 WeakPolarHBondContact O-CB 3.46Å; D1462-A1466 PolarHBondContact O-N 2.98Å; A1466-T1469 PolarHBondContact O-N 2.86Å; A1466-A1470 WeakPolarHBondContact O-CB 3.45Å; A1466-A1470 PolarHBondContact O-N 3.33Å |
| 1467 | Y | 69.3 | Low | 67.6 | Low | 162 Ų | 162 | 79.9 Ų | 79.9 | 64% | 0.635 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 176.6 | 177 | -101.6 | 0 | 0 | 0 | 111.9 | A1463 T1469 A1470 V1471 | A1463-Y1467 WeakPolarHBondContact O-CB 3.32Å; A1463-Y1467 PolarHBondContact O-N 2.91Å; Y1467-T1469 PolarHBondContact O-N 2.84Å; Y1467-A1470 PolarHBondContact O-N 2.93Å; Y1467-A1470 VanDerWaalsContact O-N 3.17Å; Y1467-V1471 HydrophobicContact CD1-CG2 4Å; Y1467-V1471 HydrophobicContact CD2-CG2 3.94Å; Y1467-V1471 HydrophobicContact CE1-CG2 3.6Å; Y1467-V1471 HydrophobicContact CE2-CG2 3.52Å; Y1467-V1471 HydrophobicContact CG-CG2 4.17Å; Y1467-V1471 WeakPolarHBondContact O-CB 3.18Å; Y1467-V1471 WeakPolarHBondContact O-CG2 3.12Å; Y1467-V1471 PolarHBondContact O-N 3.47Å |
| 1468 | G | 73.2 | Confident | 67.9 | Low | 31 Ų | 31 | 79.3 Ų | 79.3 | 32% | 0.32 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.9 | -27.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | K1464 E1465 R1472 | K1464-G1468 PolarHBondContact O-N 2.65Å; E1465-G1468 PolarHBondContact O-N 2.88Å; G1468-R1472 WeakPolarHBondContact O-CG 3.05Å; G1468-R1472 PolarHBondContact O-NE 2.88Å |
| 1469 | T | 68.8 | Low | 68.1 | Low | 32 Ų | 32 | 78.8 Ų | 78.8 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -81.2 | -45.6 | 172.1 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | E1465 A1466 Y1467 V1471 R1472 V1473 | E1465-T1469 PolarHBondContact O-N 2.69Å; E1465-T1469 VanDerWaalsContact O-N 3.09Å; E1465-T1469 PolarHBondContact O-OG1 3.14Å; E1465-T1469 VanDerWaalsContact O-OG1 3.06Å; A1466-T1469 PolarHBondContact O-N 2.86Å; Y1467-T1469 PolarHBondContact O-N 2.84Å; T1469-V1471 PolarHBondContact O-N 3.46Å; T1469-R1472 PolarHBondContact O-N 3.26Å; T1469-R1472 PolarHBondContact OG1-NH2 3.21Å; T1469-V1473 WeakPolarHBondContact O-CG2 3.41Å; T1469-V1473 PolarHBondContact O-N 3.37Å; T1469-V1473 VanDerWaalsContact O-N 3.08Å |
| 1470 | A | 64.1 | Low | 68.5 | Low | 56 Ų | 56 | 79.3 Ų | 79.3 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1466 Y1467 V1473 A1474 | A1466-A1470 WeakPolarHBondContact O-CB 3.45Å; A1466-A1470 PolarHBondContact O-N 3.33Å; Y1467-A1470 PolarHBondContact O-N 2.93Å; Y1467-A1470 VanDerWaalsContact O-N 3.17Å; A1470-V1473 PolarHBondContact O-N 3.49Å; A1470-A1474 WeakPolarHBondContact O-CB 3.41Å; A1470-A1474 PolarHBondContact O-N 3.35Å |
| 1471 | V | 73.6 | Confident | 68.7 | Low | 50 Ų | 50 | 84 Ų | 84 | 30% | 0.303 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 111 | Y1467 T1469 V1473 A1474 Q1475 | Y1467-V1471 HydrophobicContact CD1-CG2 4Å; Y1467-V1471 HydrophobicContact CD2-CG2 3.94Å; Y1467-V1471 HydrophobicContact CE1-CG2 3.6Å; Y1467-V1471 HydrophobicContact CE2-CG2 3.52Å; Y1467-V1471 HydrophobicContact CG-CG2 4.17Å; Y1467-V1471 WeakPolarHBondContact O-CB 3.18Å; Y1467-V1471 WeakPolarHBondContact O-CG2 3.12Å; Y1467-V1471 PolarHBondContact O-N 3.47Å; T1469-V1471 PolarHBondContact O-N 3.46Å; V1471-V1473 VanDerWaalsContact C-N 3.33Å; V1471-V1473 PolarHBondContact O-N 2.68Å; V1471-A1474 PolarHBondContact O-N 2.78Å; V1471-Q1475 VanDerWaalsContact O-CB 3.25Å; V1471-Q1475 WeakPolarHBondContact O-CB 3.08Å; V1471-Q1475 PolarHBondContact O-N 2.84Å |
| 1472 | R | 71.8 | Confident | 68.8 | Low | 156 Ų | 156 | 82.2 Ų | 82.2 | 59% | 0.589 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.4 | -45.4 | 176.8 | -73.3 | -179.8 | -66.4 | 155.9 | 1.7 | 111.4 | G1468 T1469 Q1475 V1476 | G1468-R1472 WeakPolarHBondContact O-CG 3.05Å; G1468-R1472 PolarHBondContact O-NE 2.88Å; T1469-R1472 PolarHBondContact O-N 3.26Å; T1469-R1472 PolarHBondContact OG1-NH2 3.21Å; R1472-Q1475 PolarHBondContact O-N 3.3Å; R1472-V1476 WeakPolarHBondContact O-CG2 3.13Å; R1472-V1476 PolarHBondContact O-N 2.96Å; R1472-V1476 VanDerWaalsContact O-N 3.16Å |
| 1473 | V | 69 | Low | 69.2 | Low | 49 Ų | 49 | 83.6 Ų | 83.6 | 30% | 0.297 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.8 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | T1469 A1470 V1471 Q1475 V1476 A1477 M1527 I1531 | T1469-V1473 WeakPolarHBondContact O-CG2 3.41Å; T1469-V1473 PolarHBondContact O-N 3.37Å; T1469-V1473 VanDerWaalsContact O-N 3.08Å; A1470-V1473 PolarHBondContact O-N 3.49Å; V1471-V1473 VanDerWaalsContact C-N 3.33Å; V1471-V1473 PolarHBondContact O-N 2.68Å; V1473-Q1475 VanDerWaalsContact C-N 3.32Å; V1473-Q1475 PolarHBondContact O-N 3.34Å; V1473-V1476 PolarHBondContact O-N 2.92Å; V1473-A1477 WeakPolarHBondContact O-CB 3.45Å; V1473-A1477 PolarHBondContact O-N 3.5Å; V1473-M1527 HydrophobicContact CG2-CG 4.47Å; V1473-M1527 HydrophobicContact CG2-SD 4.06Å; V1473-I1531 HydrophobicContact CG2-CD1 4.26Å |
| 1474 | A | 68.3 | Low | 69.6 | Low | 55 Ų | 55 | 86.2 Ų | 86.2 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A1470 V1471 A1477 N1478 | A1470-A1474 WeakPolarHBondContact O-CB 3.41Å; A1470-A1474 PolarHBondContact O-N 3.35Å; V1471-A1474 PolarHBondContact O-N 2.78Å; A1474-A1477 PolarHBondContact O-N 3.27Å; A1474-N1478 WeakPolarHBondContact O-CB 3.46Å; A1474-N1478 PolarHBondContact O-N 3.44Å |
| 1475 | Q | 71.6 | Confident | 69.8 | Low | 115 Ų | 115 | 82.3 Ų | 82.3 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.5 | -49.2 | 178.4 | -163.9 | 162.7 | 2.6 | 0 | 0 | 110.7 | V1471 R1472 V1473 A1477 N1478 D1479 | V1471-Q1475 VanDerWaalsContact O-CB 3.25Å; V1471-Q1475 WeakPolarHBondContact O-CB 3.08Å; V1471-Q1475 PolarHBondContact O-N 2.84Å; R1472-Q1475 PolarHBondContact O-N 3.3Å; V1473-Q1475 VanDerWaalsContact C-N 3.32Å; V1473-Q1475 PolarHBondContact O-N 3.34Å; Q1475-A1477 VanDerWaalsContact C-N 3.3Å; Q1475-A1477 PolarHBondContact O-N 2.97Å; Q1475-N1478 PolarHBondContact O-N 2.99Å; Q1475-D1479 WeakPolarHBondContact O-CB 3.45Å; Q1475-D1479 VanDerWaalsContact O-CG 3.25Å; Q1475-D1479 PolarHBondContact O-N 2.83Å |
| 1476 | V | 70.8 | Confident | 70.1 | Confident | 72 Ų | 72 | 78.7 Ų | 78.7 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 171.9 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | R1472 V1473 T1480 L1519 | R1472-V1476 WeakPolarHBondContact O-CG2 3.13Å; R1472-V1476 PolarHBondContact O-N 2.96Å; R1472-V1476 VanDerWaalsContact O-N 3.16Å; V1473-V1476 PolarHBondContact O-N 2.92Å; V1476-T1480 WeakPolarHBondContact O-CB 3.36Å; V1476-T1480 PolarHBondContact O-N 2.84Å; V1476-T1480 PolarHBondContact O-OG1 3.49Å; V1476-L1519 HydrophobicContact CG1-CD1 4.38Å |
| 1477 | A | 67.1 | Low | 70.5 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1473 A1474 Q1475 R1481 | V1473-A1477 WeakPolarHBondContact O-CB 3.45Å; V1473-A1477 PolarHBondContact O-N 3.5Å; A1474-A1477 PolarHBondContact O-N 3.27Å; Q1475-A1477 VanDerWaalsContact C-N 3.3Å; Q1475-A1477 PolarHBondContact O-N 2.97Å; A1477-R1481 VanDerWaalsContact O-CB 3.27Å; A1477-R1481 WeakPolarHBondContact O-CB 3.31Å; A1477-R1481 PolarHBondContact O-N 3.37Å |
| 1478 | N | 68.5 | Low | 70.7 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 51% | 0.508 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.7 | -39.7 | 178.8 | -122.4 | 0.6 | 0 | 0 | 0 | 111.8 | A1474 Q1475 R1481 S1482 | A1474-N1478 WeakPolarHBondContact O-CB 3.46Å; A1474-N1478 PolarHBondContact O-N 3.44Å; Q1475-N1478 PolarHBondContact O-N 2.99Å; N1478-R1481 PolarHBondContact O-N 3.36Å; N1478-S1482 VanDerWaalsContact O-CB 3.27Å; N1478-S1482 WeakPolarHBondContact O-CB 3.44Å; N1478-S1482 PolarHBondContact O-N 3.33Å |
| 1479 | D | 71.3 | Confident | 70.7 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 49% | 0.492 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 175 | -68.5 | -20.4 | 0 | 0 | 0 | 109.8 | Q1475 R1481 S1482 I1483 | Q1475-D1479 WeakPolarHBondContact O-CB 3.45Å; Q1475-D1479 VanDerWaalsContact O-CG 3.25Å; Q1475-D1479 PolarHBondContact O-N 2.83Å; D1479-R1481 PolarHBondContact O-N 3.44Å; D1479-S1482 WeakPolarHBondContact O-CB 3.21Å; D1479-S1482 PolarHBondContact O-N 3.18Å; D1479-I1483 WeakPolarHBondContact O-CD1 3.37Å; D1479-I1483 VanDerWaalsContact O-CG1 3.29Å; D1479-I1483 WeakPolarHBondContact O-CG1 3.47Å; D1479-I1483 PolarHBondContact O-N 3.17Å |
| 1480 | T | 68.9 | Low | 70.8 | Confident | 63 Ų | 63 | 84.1 Ų | 84.1 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 173.5 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | V1476 I1483 L1484 | V1476-T1480 WeakPolarHBondContact O-CB 3.36Å; V1476-T1480 PolarHBondContact O-N 2.84Å; V1476-T1480 PolarHBondContact O-OG1 3.49Å; T1480-I1483 PolarHBondContact O-N 3.01Å; T1480-L1484 WeakPolarHBondContact O-CB 3.24Å; T1480-L1484 PolarHBondContact O-N 3.27Å |
| 1481 | R | 71.6 | Confident | 71.2 | Confident | 178 Ų | 178 | 83 Ų | 83 | 67% | 0.672 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.1 | -38.1 | 177.2 | -176.5 | -174.9 | 128.5 | 166.5 | -2.8 | 112.4 | A1477 N1478 D1479 L1484 A1485 | A1477-R1481 VanDerWaalsContact O-CB 3.27Å; A1477-R1481 WeakPolarHBondContact O-CB 3.31Å; A1477-R1481 PolarHBondContact O-N 3.37Å; N1478-R1481 PolarHBondContact O-N 3.36Å; D1479-R1481 PolarHBondContact O-N 3.44Å; R1481-L1484 PolarHBondContact O-N 2.91Å; R1481-A1485 VanDerWaalsContact O-CB 3.3Å; R1481-A1485 WeakPolarHBondContact O-CB 3.45Å; R1481-A1485 PolarHBondContact O-N 2.7Å |
| 1482 | S | 71.3 | Confident | 71.2 | Confident | 83 Ų | 83 | 84.1 Ų | 84.1 | 58% | 0.58 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 178 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | N1478 D1479 L1484 A1485 G1486 | N1478-S1482 VanDerWaalsContact O-CB 3.27Å; N1478-S1482 WeakPolarHBondContact O-CB 3.44Å; N1478-S1482 PolarHBondContact O-N 3.33Å; D1479-S1482 WeakPolarHBondContact O-CB 3.21Å; D1479-S1482 PolarHBondContact O-N 3.18Å; S1482-L1484 PolarHBondContact O-N 3.41Å; S1482-A1485 PolarHBondContact O-N 3.15Å; S1482-G1486 PolarHBondContact O-N 3.25Å |
| 1483 | I | 71.4 | Confident | 71.1 | Confident | 100 Ų | 100 | 82.8 Ų | 82.8 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 173.5 | -67 | 163.4 | 0 | 0 | 0 | 110.7 | D1479 T1480 L1487 | D1479-I1483 WeakPolarHBondContact O-CD1 3.37Å; D1479-I1483 VanDerWaalsContact O-CG1 3.29Å; D1479-I1483 WeakPolarHBondContact O-CG1 3.47Å; D1479-I1483 PolarHBondContact O-N 3.17Å; T1480-I1483 PolarHBondContact O-N 3.01Å; I1483-L1487 WeakPolarHBondContact O-CB 3.45Å; I1483-L1487 PolarHBondContact O-N 2.84Å |
| 1484 | L | 70.7 | Confident | 71.2 | Confident | 98 Ų | 98 | 83.5 Ų | 83.5 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 179 | -115 | 150.9 | 0 | 0 | 0 | 113.2 | T1480 R1481 S1482 L1487 L1488 | T1480-L1484 WeakPolarHBondContact O-CB 3.24Å; T1480-L1484 PolarHBondContact O-N 3.27Å; R1481-L1484 PolarHBondContact O-N 2.91Å; S1482-L1484 PolarHBondContact O-N 3.41Å; L1484-L1487 WeakPolarHBondContact O-CB 3.39Å; L1484-L1487 PolarHBondContact O-N 3.39Å; L1484-L1488 WeakPolarHBondContact O-CG 3.25Å; L1484-L1488 PolarHBondContact O-N 2.94Å |
| 1485 | A | 73.1 | Confident | 71.4 | Confident | 50 Ų | 50 | 87.5 Ų | 87.5 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1481 S1482 L1487 L1488 E1489 | R1481-A1485 VanDerWaalsContact O-CB 3.3Å; R1481-A1485 WeakPolarHBondContact O-CB 3.45Å; R1481-A1485 PolarHBondContact O-N 2.7Å; S1482-A1485 PolarHBondContact O-N 3.15Å; A1485-L1487 VanDerWaalsContact C-N 3.26Å; A1485-L1487 PolarHBondContact O-N 2.82Å; A1485-L1488 PolarHBondContact O-N 2.8Å; A1485-E1489 WeakPolarHBondContact O-CB 3.12Å; A1485-E1489 PolarHBondContact O-N 3.2Å |
| 1486 | G | 75.8 | Confident | 71.3 | Confident | 31 Ų | 31 | 89.5 Ų | 89.5 | 32% | 0.32 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -23.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1482 R1490 | S1482-G1486 PolarHBondContact O-N 3.25Å; G1486-R1490 WeakPolarHBondContact O-CB 2.91Å; G1486-R1490 WeakPolarHBondContact O-CG 3.49Å; G1486-R1490 PolarHBondContact O-N 3.17Å; G1486-R1490 PolarHBondContact O-NE 3.45Å |
| 1487 | L | 69.9 | Low | 70.8 | Confident | 39 Ų | 39 | 88.3 Ų | 88.3 | 20% | 0.204 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -74.1 | -47.8 | 169.6 | -168.9 | 102.2 | 0 | 0 | 0 | 111.3 | I1483 L1484 A1485 E1489 R1490 A1491 V1512 M1515 | I1483-L1487 WeakPolarHBondContact O-CB 3.45Å; I1483-L1487 PolarHBondContact O-N 2.84Å; L1484-L1487 WeakPolarHBondContact O-CB 3.39Å; L1484-L1487 PolarHBondContact O-N 3.39Å; A1485-L1487 VanDerWaalsContact C-N 3.26Å; A1485-L1487 PolarHBondContact O-N 2.82Å; L1487-E1489 VanDerWaalsContact C-N 3.33Å; L1487-E1489 PolarHBondContact O-N 3.18Å; L1487-R1490 PolarHBondContact O-N 3.18Å; L1487-A1491 WeakPolarHBondContact O-CB 3.5Å; L1487-A1491 PolarHBondContact O-N 2.91Å; L1487-V1512 HydrophobicContact CD1-CG2 4.22Å; L1487-V1512 HydrophobicContact CD2-CG2 4.41Å; L1487-M1515 HydrophobicContact CD1-CE 3.78Å; L1487-M1515 HydrophobicContact CD1-SD 3.79Å |
| 1488 | L | 73.5 | Confident | 70.3 | Confident | 109 Ų | 109 | 95.6 Ų | 95.6 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.1 | -43.3 | 176.8 | -77 | 166.2 | 0 | 0 | 0 | 111.7 | L1484 A1485 A1491 N1492 | L1484-L1488 WeakPolarHBondContact O-CG 3.25Å; L1484-L1488 PolarHBondContact O-N 2.94Å; A1485-L1488 PolarHBondContact O-N 2.8Å; L1488-A1491 PolarHBondContact O-N 3.3Å; L1488-N1492 WeakPolarHBondContact O-CB 3.05Å; L1488-N1492 PolarHBondContact O-N 3.28Å |
| 1489 | E | 74.8 | Confident | 69.7 | Low | 110 Ų | 110 | 94.4 Ų | 94.4 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.9 | -159.9 | 65.1 | -150.2 | 0 | 0 | 111.4 | A1485 L1487 A1491 N1492 Q1493 | A1485-E1489 WeakPolarHBondContact O-CB 3.12Å; A1485-E1489 PolarHBondContact O-N 3.2Å; L1487-E1489 VanDerWaalsContact C-N 3.33Å; L1487-E1489 PolarHBondContact O-N 3.18Å; E1489-A1491 PolarHBondContact O-N 2.85Å; E1489-N1492 PolarHBondContact O-N 3.46Å; E1489-Q1493 WeakPolarHBondContact O-CG 2.89Å; E1489-Q1493 PolarHBondContact O-N 2.94Å |
| 1490 | R | 70.7 | Confident | 69.1 | Low | 108 Ų | 108 | 92.1 Ų | 92.1 | 41% | 0.408 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.1 | -78.8 | -179.7 | -71.6 | 164.3 | -4 | 112.2 | G1486 L1487 Q1493 F1494 | G1486-R1490 WeakPolarHBondContact O-CB 2.91Å; G1486-R1490 WeakPolarHBondContact O-CG 3.49Å; G1486-R1490 PolarHBondContact O-N 3.17Å; G1486-R1490 PolarHBondContact O-NE 3.45Å; L1487-R1490 PolarHBondContact O-N 3.18Å; R1490-Q1493 PolarHBondContact O-N 2.79Å; R1490-F1494 VanDerWaalsContact O-CB 3.26Å; R1490-F1494 WeakPolarHBondContact O-CB 2.94Å; R1490-F1494 PolarHBondContact O-N 3.08Å |
| 1491 | A | 71.8 | Confident | 69.2 | Low | 32 Ų | 32 | 91.4 Ų | 91.4 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1487 L1488 E1489 F1494 L1495 | L1487-A1491 WeakPolarHBondContact O-CB 3.5Å; L1487-A1491 PolarHBondContact O-N 2.91Å; L1488-A1491 PolarHBondContact O-N 3.3Å; E1489-A1491 PolarHBondContact O-N 2.85Å; A1491-F1494 WeakPolarHBondContact O-CB 2.88Å; A1491-F1494 PolarHBondContact O-N 2.88Å; A1491-L1495 WeakPolarHBondContact O-CB 3.29Å; A1491-L1495 WeakPolarHBondContact O-CD1 3.07Å; A1491-L1495 VanDerWaalsContact O-CG 3.24Å; A1491-L1495 WeakPolarHBondContact O-CG 3.46Å; A1491-L1495 PolarHBondContact O-N 3.33Å |
| 1492 | N | 73.1 | Confident | 69.4 | Low | 75 Ų | 75 | 88.1 Ų | 88.1 | 40% | 0.401 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 177.9 | -129.2 | -34.2 | 0 | 0 | 0 | 112.2 | L1488 E1489 L1495 K1496 | L1488-N1492 WeakPolarHBondContact O-CB 3.05Å; L1488-N1492 PolarHBondContact O-N 3.28Å; E1489-N1492 PolarHBondContact O-N 3.46Å; N1492-L1495 PolarHBondContact O-N 3.14Å; N1492-K1496 WeakPolarHBondContact O-CB 3Å; N1492-K1496 WeakPolarHBondContact O-CD 3.41Å; N1492-K1496 VanDerWaalsContact O-CG 3.23Å; N1492-K1496 WeakPolarHBondContact O-CG 3.39Å; N1492-K1496 PolarHBondContact O-N 2.77Å; N1492-K1496 WeakPolarHBondContact OD1-CE 3.14Å |
| 1493 | Q | 70.6 | Confident | 69.5 | Low | 128 Ų | 128 | 89.1 Ų | 89.1 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 172.3 | -73.8 | -179.7 | 2.5 | 0 | 0 | 111.2 | E1489 R1490 L1495 K1496 G1497 | E1489-Q1493 WeakPolarHBondContact O-CG 2.89Å; E1489-Q1493 PolarHBondContact O-N 2.94Å; R1490-Q1493 PolarHBondContact O-N 2.79Å; Q1493-L1495 VanDerWaalsContact C-N 3.32Å; Q1493-L1495 PolarHBondContact O-N 3.3Å; Q1493-K1496 PolarHBondContact O-N 3.46Å; Q1493-K1496 VanDerWaalsContact O-N 3.13Å; Q1493-G1497 PolarHBondContact O-N 3.36Å |
| 1494 | F | 70.7 | Confident | 69.4 | Low | 63 Ų | 63 | 89.2 Ų | 89.2 | 28% | 0.276 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 176.4 | -173.7 | -106.3 | 0 | 0 | 0 | 112.9 | R1490 A1491 K1496 A1500 Q1504 I1505 L1508 | R1490-F1494 VanDerWaalsContact O-CB 3.26Å; R1490-F1494 WeakPolarHBondContact O-CB 2.94Å; R1490-F1494 PolarHBondContact O-N 3.08Å; A1491-F1494 WeakPolarHBondContact O-CB 2.88Å; A1491-F1494 PolarHBondContact O-N 2.88Å; F1494-K1496 VanDerWaalsContact C-N 3.3Å; F1494-K1496 PolarHBondContact O-N 2.77Å; F1494-A1500 HydrophobicContact CE1-CB 4.12Å; F1494-A1500 HydrophobicContact CE2-CB 3.72Å; F1494-A1500 HydrophobicContact CZ-CB 3.47Å; F1494-A1500 VanDerWaalsContact CZ-CB 3.47Å; F1494-Q1504 HydrophobicContact CE2-CB 3.79Å; F1494-Q1504 HydrophobicContact CZ-CB 4.25Å; F1494-I1505 HydrophobicContact CE1-CG1 3.91Å; F1494-I1505 HydrophobicContact CZ-CB 4.26Å; F1494-I1505 HydrophobicContact CZ-CG1 3.6Å; F1494-L1508 HydrophobicContact CB-CD2 4.01Å; F1494-L1508 HydrophobicContact CD1-CD2 3.4Å; F1494-L1508 HydrophobicContact CD2-CD2 4.3Å; F1494-L1508 HydrophobicContact CE1-CD2 3.86Å; F1494-L1508 HydrophobicContact CG-CD2 3.64Å; F1494-L1508 HydrophobicContact CZ-CD2 4.47Å |
| 1495 | L | 71.3 | Confident | 69.6 | Low | 140 Ų | 140 | 88.8 Ų | 88.8 | 73% | 0.733 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.5 | -12.4 | 176.8 | -70.6 | 166.8 | 0 | 0 | 0 | 114.4 | A1491 N1492 Q1493 | A1491-L1495 WeakPolarHBondContact O-CB 3.29Å; A1491-L1495 WeakPolarHBondContact O-CD1 3.07Å; A1491-L1495 VanDerWaalsContact O-CG 3.24Å; A1491-L1495 WeakPolarHBondContact O-CG 3.46Å; A1491-L1495 PolarHBondContact O-N 3.33Å; N1492-L1495 PolarHBondContact O-N 3.14Å; Q1493-L1495 VanDerWaalsContact C-N 3.32Å; Q1493-L1495 PolarHBondContact O-N 3.3Å |
| 1496 | K | 70.9 | Confident | 69.8 | Low | 156 Ų | 156 | 91.4 Ų | 91.4 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -101.9 | -7.3 | -177.7 | -75.6 | 173 | -175.4 | 175.5 | 0 | 114.5 | N1492 Q1493 F1494 | N1492-K1496 WeakPolarHBondContact O-CB 3Å; N1492-K1496 WeakPolarHBondContact O-CD 3.41Å; N1492-K1496 VanDerWaalsContact O-CG 3.23Å; N1492-K1496 WeakPolarHBondContact O-CG 3.39Å; N1492-K1496 PolarHBondContact O-N 2.77Å; N1492-K1496 WeakPolarHBondContact OD1-CE 3.14Å; Q1493-K1496 PolarHBondContact O-N 3.46Å; Q1493-K1496 VanDerWaalsContact O-N 3.13Å; F1494-K1496 VanDerWaalsContact C-N 3.3Å; F1494-K1496 PolarHBondContact O-N 2.77Å |
| 1497 | G | 60.9 | Low | 69.9 | Low | 48 Ų | 48 | 92.8 Ų | 92.8 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -83.8 | 138.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1493 G1499 | Q1493-G1497 PolarHBondContact O-N 3.36Å; G1497-G1499 PolarHBondContact O-N 2.96Å |
| 1498 | E | 56.2 | Low | 70.1 | Confident | 209 Ų | 209 | 92.7 Ų | 92.7 | 98% | 0.977 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -70 | 90.3 | 172.8 | -69 | -170.8 | 151.3 | 0 | 0 | 111.2 | ||
| 1499 | G | 56.3 | Low | 70.2 | Confident | 71 Ų | 71 | 89.7 Ų | 89.7 | 73% | 0.732 | 49% | 0.487 | S | S | * | . | trans | 100.4 | 81.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G1497 | G1497-G1499 PolarHBondContact O-N 2.96Š| ||
| 1500 | A | 57.6 | Low | 70.4 | Confident | 44 Ų | 44 | 89.1 Ų | 89.1 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | trans | -77.5 | 127.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1494 I1505 | F1494-A1500 HydrophobicContact CE1-CB 4.12Å; F1494-A1500 HydrophobicContact CE2-CB 3.72Å; F1494-A1500 HydrophobicContact CZ-CB 3.47Å; F1494-A1500 VanDerWaalsContact CZ-CB 3.47Å; A1500-I1505 HydrophobicContact CB-CG1 4.29Å | ||
| 1501 | S | 72.1 | Confident | 70.4 | Confident | 48 Ų | 48 | 88.4 Ų | 88.4 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | trans | -73.7 | 152.5 | 172.5 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | E1503 Q1504 I1505 | S1501-E1503 PolarHBondContact O-N 3.17Å; S1501-E1503 VanDerWaalsContact O-N 3.09Å; S1501-Q1504 PolarHBondContact O-N 3.13Å; S1501-Q1504 VanDerWaalsContact OG-CD 3.28Å; S1501-Q1504 VanDerWaalsContact OG-CG 3.32Å; S1501-Q1504 WeakPolarHBondContact OG-CG 3.04Å; S1501-Q1504 PolarHBondContact OG-N 3.48Å; S1501-Q1504 PolarHBondContact OG-OE1 3.25Å; S1501-I1505 PolarHBondContact O-N 3.25Å; S1501-I1505 VanDerWaalsContact O-N 3.1Å | ||
| 1502 | P | 74.3 | Confident | 70.3 | Confident | 109 Ų | 109 | 90.2 Ų | 90.2 | 71% | 0.708 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -53.8 | -31.5 | 176.8 | -28 | 35.7 | 0 | 0 | 0 | 113.9 | I1505 R1506 | P1502-I1505 PolarHBondContact O-N 2.94Å; P1502-R1506 WeakPolarHBondContact O-CB 3.01Å; P1502-R1506 PolarHBondContact O-N 3.42Å |
| 1503 | E | 74 | Confident | 70.3 | Confident | 103 Ų | 103 | 93.7 Ų | 93.7 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.1 | -37.7 | 178.6 | -172.1 | 64.7 | 176.1 | 0 | 0 | 112.3 | S1501 I1505 R1506 V1507 | S1501-E1503 PolarHBondContact O-N 3.17Å; S1501-E1503 VanDerWaalsContact O-N 3.09Å; E1503-I1505 VanDerWaalsContact C-N 3.32Å; E1503-R1506 PolarHBondContact O-N 2.92Å; E1503-R1506 IonicContact OE1-CZ 2.65Å; E1503-R1506 IonicContact OE1-NE 3.63Å; E1503-R1506 IonicContact OE1-NH2 3.55Å; E1503-R1506 PolarHBondContact OE1-NH2 3.31Å; E1503-R1506 IonicContact OE2-CZ 3.78Å; E1503-R1506 IonicContact OE2-NE 2.84Å; E1503-R1506 PolarHBondContact OE2-NE 3.2Å; E1503-R1506 IonicContact OE2-NH2 2.85Å; E1503-V1507 WeakPolarHBondContact O-CG2 2.93Å; E1503-V1507 PolarHBondContact O-N 3.49Å |
| 1504 | Q | 69.7 | Low | 70.3 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.2 | -32.5 | 173.3 | -64.4 | 160.8 | -58.1 | 0 | 0 | 111.6 | F1494 S1501 L1508 | F1494-Q1504 HydrophobicContact CE2-CB 3.79Å; F1494-Q1504 HydrophobicContact CZ-CB 4.25Å; S1501-Q1504 PolarHBondContact O-N 3.13Å; S1501-Q1504 VanDerWaalsContact OG-CD 3.28Å; S1501-Q1504 VanDerWaalsContact OG-CG 3.32Å; S1501-Q1504 WeakPolarHBondContact OG-CG 3.04Å; S1501-Q1504 PolarHBondContact OG-N 3.48Å; S1501-Q1504 PolarHBondContact OG-OE1 3.25Å; Q1504-L1508 WeakPolarHBondContact O-CB 3.35Å; Q1504-L1508 PolarHBondContact O-N 3.46Å; Q1504-L1508 VanDerWaalsContact O-N 3.13Å |
| 1505 | I | 74.3 | Confident | 69.9 | Low | 88 Ų | 88 | 92.1 Ų | 92.1 | 45% | 0.451 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 171.1 | -59.9 | 171.7 | 0 | 0 | 0 | 110 | F1494 A1500 S1501 P1502 E1503 L1508 A1509 | F1494-I1505 HydrophobicContact CE1-CG1 3.91Å; F1494-I1505 HydrophobicContact CZ-CB 4.26Å; F1494-I1505 HydrophobicContact CZ-CG1 3.6Å; A1500-I1505 HydrophobicContact CB-CG1 4.29Å; S1501-I1505 PolarHBondContact O-N 3.25Å; S1501-I1505 VanDerWaalsContact O-N 3.1Å; P1502-I1505 PolarHBondContact O-N 2.94Å; E1503-I1505 VanDerWaalsContact C-N 3.32Å; I1505-L1508 PolarHBondContact O-N 3.11Å; I1505-A1509 WeakPolarHBondContact O-CB 3.34Å; I1505-A1509 PolarHBondContact O-N 2.73Å |
| 1506 | R | 78.2 | Confident | 69.2 | Low | 105 Ų | 105 | 91.8 Ų | 91.8 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -48.3 | 178.5 | -171.3 | -178.6 | 72.6 | 80.2 | 2.7 | 111.9 | P1502 E1503 L1508 A1509 E1510 | P1502-R1506 WeakPolarHBondContact O-CB 3.01Å; P1502-R1506 PolarHBondContact O-N 3.42Å; E1503-R1506 PolarHBondContact O-N 2.92Å; E1503-R1506 IonicContact OE1-CZ 2.65Å; E1503-R1506 IonicContact OE1-NE 3.63Å; E1503-R1506 IonicContact OE1-NH2 3.55Å; E1503-R1506 PolarHBondContact OE1-NH2 3.31Å; E1503-R1506 IonicContact OE2-CZ 3.78Å; E1503-R1506 IonicContact OE2-NE 2.84Å; E1503-R1506 PolarHBondContact OE2-NE 3.2Å; E1503-R1506 IonicContact OE2-NH2 2.85Å; R1506-L1508 VanDerWaalsContact C-N 3.34Å; R1506-L1508 PolarHBondContact O-N 2.94Å; R1506-A1509 PolarHBondContact O-N 3.47Å; R1506-E1510 WeakPolarHBondContact CG-OE1 3.47Å; R1506-E1510 IonicContact CZ-OE1 3.87Å; R1506-E1510 IonicContact CZ-OE2 3.71Å; R1506-E1510 IonicContact NH1-OE1 3.45Å; R1506-E1510 PolarHBondContact NH1-OE1 3.37Å; R1506-E1510 IonicContact NH1-OE2 3.53Å; R1506-E1510 PolarHBondContact NH1-OE2 3.03Å; R1506-E1510 WeakPolarHBondContact O-CB 3.42Å; R1506-E1510 WeakPolarHBondContact O-CG 3.15Å; R1506-E1510 PolarHBondContact O-N 3.24Å |
| 1507 | V | 78.1 | Confident | 68.7 | Low | 60 Ų | 60 | 91.8 Ų | 91.8 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | E1503 Q1511 | E1503-V1507 WeakPolarHBondContact O-CG2 2.93Å; E1503-V1507 PolarHBondContact O-N 3.49Å; V1507-Q1511 WeakPolarHBondContact O-CB 3.37Å; V1507-Q1511 VanDerWaalsContact O-CG 3.31Å; V1507-Q1511 WeakPolarHBondContact O-CG 2.85Å; V1507-Q1511 PolarHBondContact O-N 2.03Å |
| 1508 | L | 74 | Confident | 68.6 | Low | 37 Ų | 37 | 94 Ų | 94 | 19% | 0.194 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 176.7 | -172.5 | 65.5 | 0 | 0 | 0 | 111.7 | F1494 Q1504 I1505 R1506 Q1511 V1512 | F1494-L1508 HydrophobicContact CB-CD2 4.01Å; F1494-L1508 HydrophobicContact CD1-CD2 3.4Å; F1494-L1508 HydrophobicContact CD2-CD2 4.3Å; F1494-L1508 HydrophobicContact CE1-CD2 3.86Å; F1494-L1508 HydrophobicContact CG-CD2 3.64Å; F1494-L1508 HydrophobicContact CZ-CD2 4.47Å; Q1504-L1508 WeakPolarHBondContact O-CB 3.35Å; Q1504-L1508 PolarHBondContact O-N 3.46Å; Q1504-L1508 VanDerWaalsContact O-N 3.13Å; I1505-L1508 PolarHBondContact O-N 3.11Å; R1506-L1508 VanDerWaalsContact C-N 3.34Å; R1506-L1508 PolarHBondContact O-N 2.94Å; L1508-Q1511 PolarHBondContact O-N 3.38Å; L1508-V1512 WeakPolarHBondContact O-CG2 3.19Å; L1508-V1512 PolarHBondContact O-N 3.37Å |
| 1509 | A | 75.4 | Confident | 69 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1505 R1506 V1512 L1513 | I1505-A1509 WeakPolarHBondContact O-CB 3.34Å; I1505-A1509 PolarHBondContact O-N 2.73Å; R1506-A1509 PolarHBondContact O-N 3.47Å; A1509-V1512 PolarHBondContact O-N 2.78Å; A1509-L1513 WeakPolarHBondContact O-CB 2.94Å; A1509-L1513 VanDerWaalsContact O-CG 3.3Å; A1509-L1513 WeakPolarHBondContact O-CG 3.08Å; A1509-L1513 PolarHBondContact O-N 2.93Å |
| 1510 | E | 79.3 | Confident | 69.7 | Low | 99 Ų | 99 | 86.8 Ų | 86.8 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 175.5 | -75.4 | 171.4 | -173.1 | 0 | 0 | 112 | R1506 V1512 L1513 G1514 | R1506-E1510 WeakPolarHBondContact CG-OE1 3.47Å; R1506-E1510 IonicContact CZ-OE1 3.87Å; R1506-E1510 IonicContact CZ-OE2 3.71Å; R1506-E1510 IonicContact NH1-OE1 3.45Å; R1506-E1510 PolarHBondContact NH1-OE1 3.37Å; R1506-E1510 IonicContact NH1-OE2 3.53Å; R1506-E1510 PolarHBondContact NH1-OE2 3.03Å; R1506-E1510 WeakPolarHBondContact O-CB 3.42Å; R1506-E1510 WeakPolarHBondContact O-CG 3.15Å; R1506-E1510 PolarHBondContact O-N 3.24Å; E1510-V1512 VanDerWaalsContact C-N 3.34Å; E1510-V1512 PolarHBondContact O-N 2.77Å; E1510-L1513 PolarHBondContact O-N 3.08Å; E1510-G1514 PolarHBondContact O-N 2.03Å |
| 1511 | Q | 70 | Confident | 70.4 | Confident | 92 Ų | 92 | 90.6 Ų | 90.6 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -33.2 | 173.3 | -75.7 | 180 | 13.5 | 0 | 0 | 113.3 | V1507 L1508 | V1507-Q1511 WeakPolarHBondContact O-CB 3.37Å; V1507-Q1511 VanDerWaalsContact O-CG 3.31Å; V1507-Q1511 WeakPolarHBondContact O-CG 2.85Å; V1507-Q1511 PolarHBondContact O-N 2.03Å; L1508-Q1511 PolarHBondContact O-N 3.38Å |
| 1512 | V | 68.5 | Low | 70.5 | Confident | 71 Ų | 71 | 94.4 Ų | 94.4 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.8 | -43.1 | 175 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L1487 L1508 A1509 E1510 G1514 M1515 | L1487-V1512 HydrophobicContact CD1-CG2 4.22Å; L1487-V1512 HydrophobicContact CD2-CG2 4.41Å; L1508-V1512 WeakPolarHBondContact O-CG2 3.19Å; L1508-V1512 PolarHBondContact O-N 3.37Å; A1509-V1512 PolarHBondContact O-N 2.78Å; E1510-V1512 VanDerWaalsContact C-N 3.34Å; E1510-V1512 PolarHBondContact O-N 2.77Å; V1512-G1514 VanDerWaalsContact C-N 3.29Å; V1512-G1514 PolarHBondContact O-N 3.37Å; V1512-M1515 PolarHBondContact O-N 3.36Å |
| 1513 | L | 73 | Confident | 70.3 | Confident | 148 Ų | 148 | 93.2 Ų | 93.2 | 78% | 0.775 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.1 | -23.2 | 179.9 | -71 | 168.5 | 0 | 0 | 0 | 113.4 | A1509 E1510 M1515 | A1509-L1513 WeakPolarHBondContact O-CB 2.94Å; A1509-L1513 VanDerWaalsContact O-CG 3.3Å; A1509-L1513 WeakPolarHBondContact O-CG 3.08Å; A1509-L1513 PolarHBondContact O-N 2.93Å; E1510-L1513 PolarHBondContact O-N 3.08Å; L1513-M1515 VanDerWaalsContact C-N 3.32Å; L1513-M1515 PolarHBondContact O-N 2.99Å |
| 1514 | G | 70.7 | Confident | 69.9 | Low | 62 Ų | 62 | 92.8 Ų | 92.8 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E1510 V1512 | E1510-G1514 PolarHBondContact O-N 2.03Å; V1512-G1514 VanDerWaalsContact C-N 3.29Å; V1512-G1514 PolarHBondContact O-N 3.37Å |
| 1515 | M | 62.7 | Low | 70.1 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 47% | 0.468 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 117 | -178 | -70.7 | -169.8 | 175.8 | 0 | 0 | 112.8 | L1487 V1512 L1513 | L1487-M1515 HydrophobicContact CD1-CE 3.78Å; L1487-M1515 HydrophobicContact CD1-SD 3.79Å; V1512-M1515 PolarHBondContact O-N 3.36Å; L1513-M1515 VanDerWaalsContact C-N 3.32Å; L1513-M1515 PolarHBondContact O-N 2.99Å |
| 1516 | T | 58 | Low | 70.1 | Confident | 134 Ų | 134 | 90.5 Ų | 90.5 | 82% | 0.822 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -103.6 | 133.6 | 174.4 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1517 | I | 58.8 | Low | 69.4 | Low | 156 Ų | 156 | 88.8 Ų | 88.8 | 80% | 0.8 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 134.2 | 171.9 | -61.1 | 173.2 | 0 | 0 | 0 | 108.8 | L1519 | I1517-L1519 PolarHBondContact O-N 3.48Š|
| 1518 | S | 60.2 | Low | 69 | Low | 95 Ų | 95 | 88.9 Ų | 88.9 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -89.3 | 4.8 | -166.8 | 58.8 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1519 | L | 63.8 | Low | 69 | Low | 57 Ų | 57 | 92 Ų | 92 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | trans | -132.3 | 132.3 | 178.6 | -67.9 | 171 | 0 | 0 | 0 | 109.1 | V1476 I1517 Q1523 I1524 M1527 | V1476-L1519 HydrophobicContact CG1-CD1 4.38Å; I1517-L1519 PolarHBondContact O-N 3.48Å; L1519-Q1523 HydrophobicContact CD2-CB 4.38Å; L1519-I1524 HydrophobicContact CB-CD1 4.36Å; L1519-I1524 HydrophobicContact CB-CG1 4.11Å; L1519-M1527 HydrophobicContact CD1-CE 3.97Å; L1519-M1527 HydrophobicContact CD2-CE 4.05Å | ||
| 1520 | D | 71.3 | Confident | 68.8 | Low | 71 Ų | 71 | 94.5 Ų | 94.5 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | trans | -85.6 | 175.8 | 174.9 | 62.7 | 44.4 | 0 | 0 | 0 | 112.3 | E1522 Q1523 I1524 | D1520-E1522 PolarHBondContact OD1-N 2.68Å; D1520-Q1523 VanDerWaalsContact CG-CD 3.49Å; D1520-Q1523 PolarHBondContact O-N 3.25Å; D1520-Q1523 VanDerWaalsContact OD1-CB 3.25Å; D1520-Q1523 WeakPolarHBondContact OD1-CB 3.33Å; D1520-Q1523 WeakPolarHBondContact OD1-CG 3.16Å; D1520-Q1523 PolarHBondContact OD1-N 3.04Å; D1520-Q1523 VanDerWaalsContact OD2-CD 3.25Å; D1520-Q1523 PolarHBondContact OD2-NE2 2.02Å; D1520-I1524 WeakPolarHBondContact O-CD1 3.35Å; D1520-I1524 VanDerWaalsContact O-CG1 3.26Å; D1520-I1524 WeakPolarHBondContact O-CG1 3.1Å; D1520-I1524 PolarHBondContact O-N 3.28Å | ||
| 1521 | K | 72.6 | Confident | 67.9 | Low | 123 Ų | 123 | 92.8 Ų | 92.8 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | -174.7 | 179.8 | -179 | 175.5 | -77.8 | 0 | 111.2 | Q1523 I1524 E1525 | K1521-Q1523 VanDerWaalsContact C-N 3.34Å; K1521-Q1523 PolarHBondContact O-N 3.33Å; K1521-I1524 PolarHBondContact O-N 2.84Å; K1521-E1525 VanDerWaalsContact CE-OE1 3.29Å; K1521-E1525 WeakPolarHBondContact CE-OE1 3.39Å; K1521-E1525 IonicContact NZ-OE1 2.8Å; K1521-E1525 PolarHBondContact NZ-OE1 2.88Å; K1521-E1525 IonicContact NZ-OE2 3.74Å; K1521-E1525 PolarHBondContact NZ-OE2 3.07Å; K1521-E1525 WeakPolarHBondContact O-CG 3.15Å; K1521-E1525 PolarHBondContact O-N 2.04Å |
| 1522 | E | 72.9 | Confident | 67.8 | Low | 128 Ų | 128 | 89.7 Ų | 89.7 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 179.4 | -68.8 | 76.1 | -172.5 | 0 | 0 | 111.3 | D1520 E1525 A1526 | D1520-E1522 PolarHBondContact OD1-N 2.68Å; E1522-E1525 PolarHBondContact O-N 2.88Å; E1522-A1526 VanDerWaalsContact O-CB 3.3Å; E1522-A1526 WeakPolarHBondContact O-CB 3.37Å; E1522-A1526 PolarHBondContact O-N 2.82Å |
| 1523 | Q | 70.4 | Confident | 67.8 | Low | 84 Ų | 84 | 90 Ų | 90 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 174.1 | -72.9 | 166.7 | 13.1 | 0 | 0 | 112.1 | L1519 D1520 K1521 M1527 | L1519-Q1523 HydrophobicContact CD2-CB 4.38Å; D1520-Q1523 VanDerWaalsContact CG-CD 3.49Å; D1520-Q1523 PolarHBondContact O-N 3.25Å; D1520-Q1523 VanDerWaalsContact OD1-CB 3.25Å; D1520-Q1523 WeakPolarHBondContact OD1-CB 3.33Å; D1520-Q1523 WeakPolarHBondContact OD1-CG 3.16Å; D1520-Q1523 PolarHBondContact OD1-N 3.04Å; D1520-Q1523 VanDerWaalsContact OD2-CD 3.25Å; D1520-Q1523 PolarHBondContact OD2-NE2 2.02Å; K1521-Q1523 VanDerWaalsContact C-N 3.34Å; K1521-Q1523 PolarHBondContact O-N 3.33Å; Q1523-M1527 VanDerWaalsContact O-CB 3.31Å; Q1523-M1527 WeakPolarHBondContact O-CB 3.28Å; Q1523-M1527 PolarHBondContact O-N 3.31Å |
| 1524 | I | 66 | Low | 67.2 | Low | 94 Ų | 94 | 85 Ų | 85 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 175.4 | -68.4 | 164.5 | 0 | 0 | 0 | 111 | L1519 D1520 K1521 M1527 A1528 | L1519-I1524 HydrophobicContact CB-CD1 4.36Å; L1519-I1524 HydrophobicContact CB-CG1 4.11Å; D1520-I1524 WeakPolarHBondContact O-CD1 3.35Å; D1520-I1524 VanDerWaalsContact O-CG1 3.26Å; D1520-I1524 WeakPolarHBondContact O-CG1 3.1Å; D1520-I1524 PolarHBondContact O-N 3.28Å; K1521-I1524 PolarHBondContact O-N 2.84Å; I1524-M1527 PolarHBondContact O-N 3.24Å; I1524-A1528 WeakPolarHBondContact O-CB 3.26Å; I1524-A1528 PolarHBondContact O-N 3.24Å |
| 1525 | E | 73.2 | Confident | 66.7 | Low | 90 Ų | 90 | 86 Ų | 86 | 42% | 0.421 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 176.9 | -75 | 176.5 | 158.4 | 0 | 0 | 111.9 | K1521 E1522 A1528 I1529 | K1521-E1525 VanDerWaalsContact CE-OE1 3.29Å; K1521-E1525 WeakPolarHBondContact CE-OE1 3.39Å; K1521-E1525 IonicContact NZ-OE1 2.8Å; K1521-E1525 PolarHBondContact NZ-OE1 2.88Å; K1521-E1525 IonicContact NZ-OE2 3.74Å; K1521-E1525 PolarHBondContact NZ-OE2 3.07Å; K1521-E1525 WeakPolarHBondContact O-CG 3.15Å; K1521-E1525 PolarHBondContact O-N 2.04Å; E1522-E1525 PolarHBondContact O-N 2.88Å; E1525-A1528 PolarHBondContact O-N 2.8Å; E1525-I1529 VanDerWaalsContact O-CG1 3.32Å; E1525-I1529 WeakPolarHBondContact O-CG1 3.42Å; E1525-I1529 PolarHBondContact O-N 3.1Å |
| 1526 | A | 74.1 | Confident | 66.7 | Low | 53 Ų | 53 | 91.5 Ų | 91.5 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | E1522 A1528 I1529 D1530 | E1522-A1526 VanDerWaalsContact O-CB 3.3Å; E1522-A1526 WeakPolarHBondContact O-CB 3.37Å; E1522-A1526 PolarHBondContact O-N 2.82Å; A1526-A1528 VanDerWaalsContact C-N 3.31Å; A1526-A1528 PolarHBondContact O-N 3.04Å; A1526-I1529 PolarHBondContact O-N 3.34Å; A1526-D1530 PolarHBondContact O-N 3.18Å |
| 1527 | M | 65.5 | Low | 66.7 | Low | 70 Ų | 70 | 90.7 Ų | 90.7 | 35% | 0.345 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 176.4 | -144.2 | 176.2 | -56.3 | 0 | 0 | 111.4 | V1473 L1519 Q1523 I1524 I1531 | V1473-M1527 HydrophobicContact CG2-CG 4.47Å; V1473-M1527 HydrophobicContact CG2-SD 4.06Å; L1519-M1527 HydrophobicContact CD1-CE 3.97Å; L1519-M1527 HydrophobicContact CD2-CE 4.05Å; Q1523-M1527 VanDerWaalsContact O-CB 3.31Å; Q1523-M1527 WeakPolarHBondContact O-CB 3.28Å; Q1523-M1527 PolarHBondContact O-N 3.31Å; I1524-M1527 PolarHBondContact O-N 3.24Å; M1527-I1531 HydrophobicContact CG-CD1 4.43Å; M1527-I1531 VanDerWaalsContact O-CB 3.3Å; M1527-I1531 WeakPolarHBondContact O-CB 3.12Å; M1527-I1531 VanDerWaalsContact O-CD1 3.3Å; M1527-I1531 WeakPolarHBondContact O-CD1 3.25Å; M1527-I1531 WeakPolarHBondContact O-CG1 3.45Å; M1527-I1531 PolarHBondContact O-N 3.17Å |
| 1528 | A | 69.1 | Low | 66.4 | Low | 61 Ų | 61 | 86 Ų | 86 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1524 E1525 A1526 G1532 | I1524-A1528 WeakPolarHBondContact O-CB 3.26Å; I1524-A1528 PolarHBondContact O-N 3.24Å; E1525-A1528 PolarHBondContact O-N 2.8Å; A1526-A1528 VanDerWaalsContact C-N 3.31Å; A1526-A1528 PolarHBondContact O-N 3.04Å; A1528-G1532 PolarHBondContact O-N 3.3Å |
| 1529 | I | 74.6 | Confident | 66.1 | Low | 102 Ų | 102 | 87.5 Ų | 87.5 | 52% | 0.523 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.2 | -46.2 | 175.4 | -70.5 | 165.5 | 0 | 0 | 0 | 111 | E1525 A1526 G1532 N1533 | E1525-I1529 VanDerWaalsContact O-CG1 3.32Å; E1525-I1529 WeakPolarHBondContact O-CG1 3.42Å; E1525-I1529 PolarHBondContact O-N 3.1Å; A1526-I1529 PolarHBondContact O-N 3.34Å; I1529-G1532 CarbonylContact O-C 3.56Å; I1529-G1532 WeakPolarHBondContact O-CA 3.37Å; I1529-G1532 PolarHBondContact O-N 2.91Å; I1529-G1532 VanDerWaalsContact O-N 3.11Å; I1529-N1533 WeakPolarHBondContact O-CB 3.46Å; I1529-N1533 PolarHBondContact O-N 2.72Å; I1529-N1533 PolarHBondContact O-ND2 3.06Å |
| 1530 | D | 69.3 | Low | 65.5 | Low | 100 Ų | 100 | 90.3 Ų | 90.3 | 54% | 0.535 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 177.6 | -88.1 | -4.9 | 0 | 0 | 0 | 112.4 | A1526 G1532 N1533 N1534 | A1526-D1530 PolarHBondContact O-N 3.18Å; D1530-G1532 VanDerWaalsContact C-N 3.35Å; D1530-N1533 PolarHBondContact O-N 3.23Å; D1530-N1534 WeakPolarHBondContact O-CB 3.35Å; D1530-N1534 PolarHBondContact O-N 3.48Å; D1530-N1534 PolarHBondContact O-ND2 3.44Å |
| 1531 | I | 61.7 | Low | 64.7 | Low | 62 Ų | 62 | 89.8 Ų | 89.8 | 32% | 0.318 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 169.3 | -71.2 | 165 | 0 | 0 | 0 | 109.8 | V1473 M1527 L1535 | V1473-I1531 HydrophobicContact CG2-CD1 4.26Å; M1527-I1531 HydrophobicContact CG-CD1 4.43Å; M1527-I1531 VanDerWaalsContact O-CB 3.3Å; M1527-I1531 WeakPolarHBondContact O-CB 3.12Å; M1527-I1531 VanDerWaalsContact O-CD1 3.3Å; M1527-I1531 WeakPolarHBondContact O-CD1 3.25Å; M1527-I1531 WeakPolarHBondContact O-CG1 3.45Å; M1527-I1531 PolarHBondContact O-N 3.17Å; I1531-L1535 HydrophobicContact CG2-CD1 3.61Å; I1531-L1535 HydrophobicContact CG2-CG 4.27Å; I1531-L1535 VanDerWaalsContact O-CB 3.26Å; I1531-L1535 WeakPolarHBondContact O-CB 3.02Å; I1531-L1535 WeakPolarHBondContact O-CG 3.43Å; I1531-L1535 PolarHBondContact O-N 3Å |
| 1532 | G | 67.4 | Low | 63.9 | Low | 28 Ų | 28 | 92 Ų | 92 | 29% | 0.289 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1528 I1529 D1530 R1536 | A1528-G1532 PolarHBondContact O-N 3.3Å; I1529-G1532 CarbonylContact O-C 3.56Å; I1529-G1532 WeakPolarHBondContact O-CA 3.37Å; I1529-G1532 PolarHBondContact O-N 2.91Å; I1529-G1532 VanDerWaalsContact O-N 3.11Å; D1530-G1532 VanDerWaalsContact C-N 3.35Å; G1532-R1536 WeakPolarHBondContact O-CB 3.44Å; G1532-R1536 VanDerWaalsContact O-CG 3.3Å; G1532-R1536 WeakPolarHBondContact O-CG 3.25Å; G1532-R1536 PolarHBondContact O-N 3.25Å |
| 1533 | N | 69.2 | Low | 63.1 | Low | 77 Ų | 77 | 87.1 Ų | 87.1 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.5 | -41.3 | 179.3 | -73.3 | -24.9 | 0 | 0 | 0 | 111.9 | I1529 D1530 R1536 | I1529-N1533 WeakPolarHBondContact O-CB 3.46Å; I1529-N1533 PolarHBondContact O-N 2.72Å; I1529-N1533 PolarHBondContact O-ND2 3.06Å; D1530-N1533 PolarHBondContact O-N 3.23Å; N1533-R1536 PolarHBondContact O-N 3.43Å |
| 1534 | N | 59.5 | Low | 62.3 | Low | 42 Ų | 42 | 87.4 Ų | 87.4 | 23% | 0.225 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -74.9 | -32.2 | 176.2 | -71.4 | -44.6 | 0 | 0 | 0 | 112.6 | D1530 R1536 K1537 | D1530-N1534 WeakPolarHBondContact O-CB 3.35Å; D1530-N1534 PolarHBondContact O-N 3.48Å; D1530-N1534 PolarHBondContact O-ND2 3.44Å; N1534-R1536 VanDerWaalsContact C-N 3.31Å; N1534-R1536 PolarHBondContact O-N 3.21Å; N1534-K1537 PolarHBondContact O-N 2.88Å; N1534-K1537 PolarHBondContact OD1-NZ 2.96Å |
| 1535 | L | 60.8 | Low | 61.9 | Low | 85 Ų | 85 | 88.3 Ų | 88.3 | 45% | 0.445 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -29.8 | 169.6 | -73.4 | 172 | 0 | 0 | 0 | 112.7 | I1531 K1537 L1538 I1541 | I1531-L1535 HydrophobicContact CG2-CD1 3.61Å; I1531-L1535 HydrophobicContact CG2-CG 4.27Å; I1531-L1535 VanDerWaalsContact O-CB 3.26Å; I1531-L1535 WeakPolarHBondContact O-CB 3.02Å; I1531-L1535 WeakPolarHBondContact O-CG 3.43Å; I1531-L1535 PolarHBondContact O-N 3Å; L1535-K1537 VanDerWaalsContact C-N 3.29Å; L1535-K1537 PolarHBondContact O-N 3.36Å; L1535-L1538 HydrophobicContact CD2-CD1 4.44Å; L1535-L1538 PolarHBondContact O-N 2.97Å; L1535-I1541 HydrophobicContact CB-CD1 4.19Å; L1535-I1541 HydrophobicContact CD2-CD1 3.95Å; L1535-I1541 VanDerWaalsContact O-CD1 3.3Å; L1535-I1541 WeakPolarHBondContact O-CD1 3.2Å |
| 1536 | R | 61.6 | Low | 61.3 | Low | 209 Ų | 209 | 86.9 Ų | 86.9 | 79% | 0.789 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.1 | -20.5 | 176 | -84.2 | 174.5 | 173 | -176.8 | -2.8 | 114.4 | G1532 N1533 N1534 L1538 | G1532-R1536 WeakPolarHBondContact O-CB 3.44Å; G1532-R1536 VanDerWaalsContact O-CG 3.3Å; G1532-R1536 WeakPolarHBondContact O-CG 3.25Å; G1532-R1536 PolarHBondContact O-N 3.25Å; N1533-R1536 PolarHBondContact O-N 3.43Å; N1534-R1536 VanDerWaalsContact C-N 3.31Å; N1534-R1536 PolarHBondContact O-N 3.21Å; R1536-L1538 VanDerWaalsContact C-N 3.29Å |
| 1537 | K | 57.8 | Low | 60.5 | Low | 117 Ų | 117 | 91.2 Ų | 91.2 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.9 | -25.2 | 172.8 | -64.9 | 173.8 | -179.6 | 166.9 | 0 | 112.2 | N1534 L1535 T1539 | N1534-K1537 PolarHBondContact O-N 2.88Å; N1534-K1537 PolarHBondContact OD1-NZ 2.96Å; L1535-K1537 VanDerWaalsContact C-N 3.29Å; L1535-K1537 PolarHBondContact O-N 3.36Å; K1537-T1539 PolarHBondContact O-N 3.38Å |
| 1538 | L | 53.8 | Low | 59.9 | Low | 58 Ų | 58 | 90.9 Ų | 90.9 | 30% | 0.304 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -82.9 | 92.5 | 175 | -65.3 | 168.8 | 0 | 0 | 0 | 109.9 | L1535 R1536 I1541 | L1535-L1538 HydrophobicContact CD2-CD1 4.44Å; L1535-L1538 PolarHBondContact O-N 2.97Å; R1536-L1538 VanDerWaalsContact C-N 3.29Å; L1538-I1541 HydrophobicContact CB-CD1 3.84Å; L1538-I1541 HydrophobicContact CB-CG1 4.02Å; L1538-I1541 HydrophobicContact CD1-CD1 4.38Å |
| 1539 | T | 52.4 | Low | 59.5 | Low | 127 Ų | 127 | 96.7 Ų | 96.7 | 78% | 0.779 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 153.7 | 167.7 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | K1537 I1541 | K1537-T1539 PolarHBondContact O-N 3.38Å; T1539-I1541 PolarHBondContact O-N 3.34Å |
| 1540 | N | 52.3 | Low | 58.9 | Low | 115 Ų | 115 | 94 Ų | 94 | 62% | 0.615 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 11.9 | 179.7 | -102.6 | -1.8 | 0 | 0 | 0 | 119.5 | Q1542 A1543 I1544 | N1540-Q1542 PolarHBondContact O-N 2.93Å; N1540-Q1542 VanDerWaalsContact O-N 3.14Å; N1540-A1543 HydrophobicContact CB-CB 4.1Å; N1540-A1543 WeakPolarHBondContact O-CB 3.36Å; N1540-A1543 PolarHBondContact O-N 3.15Å; N1540-A1543 VanDerWaalsContact OD1-CB 3.25Å; N1540-A1543 WeakPolarHBondContact OD1-CB 3.1Å; N1540-I1544 WeakPolarHBondContact O-CG1 3.5Å; N1540-I1544 PolarHBondContact O-N 3.22Å |
| 1541 | I | 54 | Low | 58.4 | Low | 60 Ų | 60 | 93 Ų | 93 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -50.8 | -40.7 | 173.1 | -74.5 | 174 | 0 | 0 | 0 | 113.3 | L1535 L1538 T1539 L1545 | L1535-I1541 HydrophobicContact CB-CD1 4.19Å; L1535-I1541 HydrophobicContact CD2-CD1 3.95Å; L1535-I1541 VanDerWaalsContact O-CD1 3.3Å; L1535-I1541 WeakPolarHBondContact O-CD1 3.2Å; L1538-I1541 HydrophobicContact CB-CD1 3.84Å; L1538-I1541 HydrophobicContact CB-CG1 4.02Å; L1538-I1541 HydrophobicContact CD1-CD1 4.38Å; T1539-I1541 PolarHBondContact O-N 3.34Å; I1541-L1545 HydrophobicContact CG2-CD1 3.97Å; I1541-L1545 WeakPolarHBondContact O-CB 3.21Å; I1541-L1545 WeakPolarHBondContact O-CG 3.4Å; I1541-L1545 PolarHBondContact O-N 3.02Å |
| 1542 | Q | 56.1 | Low | 58.2 | Low | 169 Ų | 169 | 96.1 Ų | 96.1 | 79% | 0.79 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -73.2 | -30.4 | 178.7 | -74.1 | 177.9 | -14.1 | 0 | 0 | 113.1 | N1540 A1546 | N1540-Q1542 PolarHBondContact O-N 2.93Å; N1540-Q1542 VanDerWaalsContact O-N 3.14Å; Q1542-A1546 WeakPolarHBondContact O-CB 3.48Å; Q1542-A1546 PolarHBondContact O-N 3.1Å |
| 1543 | A | 56.7 | Low | 58.3 | Low | 27 Ų | 27 | 98 Ų | 98 | 22% | 0.223 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -69.8 | -45.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N1540 L1545 A1546 E1547 | N1540-A1543 HydrophobicContact CB-CB 4.1Å; N1540-A1543 WeakPolarHBondContact O-CB 3.36Å; N1540-A1543 PolarHBondContact O-N 3.15Å; N1540-A1543 VanDerWaalsContact OD1-CB 3.25Å; N1540-A1543 WeakPolarHBondContact OD1-CB 3.1Å; A1543-L1545 VanDerWaalsContact C-N 3.3Å; A1543-L1545 PolarHBondContact O-N 3.13Å; A1543-A1546 CarbonylContact O-C 3.55Å; A1543-A1546 WeakPolarHBondContact O-CA 3.41Å; A1543-A1546 WeakPolarHBondContact O-CB 3.31Å; A1543-A1546 PolarHBondContact O-N 2.04Å; A1543-E1547 WeakPolarHBondContact O-CB 3.46Å; A1543-E1547 WeakPolarHBondContact O-CG 3.34Å; A1543-E1547 PolarHBondContact O-N 2.69Å |
| 1544 | I | 52.4 | Low | 58.1 | Low | 90 Ų | 90 | 98.9 Ų | 98.9 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 176.2 | -64.8 | 165.1 | 0 | 0 | 0 | 110.9 | N1540 T1548 | N1540-I1544 WeakPolarHBondContact O-CG1 3.5Å; N1540-I1544 PolarHBondContact O-N 3.22Å; I1544-T1548 HydrophobicContact CG2-CG2 4.31Å; I1544-T1548 VanDerWaalsContact O-CB 3.3Å; I1544-T1548 WeakPolarHBondContact O-CB 3.34Å; I1544-T1548 VanDerWaalsContact O-CG2 3.24Å; I1544-T1548 WeakPolarHBondContact O-CG2 3.39Å; I1544-T1548 PolarHBondContact O-N 3.32Å; I1544-T1548 PolarHBondContact O-OG1 3.49Å |
| 1545 | L | 58 | Low | 58.4 | Low | 113 Ų | 113 | 99.7 Ų | 99.7 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.4 | -25.4 | 173.7 | -73.6 | 170.4 | 0 | 0 | 0 | 113.8 | I1541 A1543 | I1541-L1545 HydrophobicContact CG2-CD1 3.97Å; I1541-L1545 WeakPolarHBondContact O-CB 3.21Å; I1541-L1545 WeakPolarHBondContact O-CG 3.4Å; I1541-L1545 PolarHBondContact O-N 3.02Å; A1543-L1545 VanDerWaalsContact C-N 3.3Å; A1543-L1545 PolarHBondContact O-N 3.13Å |
| 1546 | A | 61.3 | Low | 58.9 | Low | 59 Ų | 59 | 102.8 Ų | 102.8 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77.4 | -42.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1542 A1543 R1549 | Q1542-A1546 WeakPolarHBondContact O-CB 3.48Å; Q1542-A1546 PolarHBondContact O-N 3.1Å; A1543-A1546 CarbonylContact O-C 3.55Å; A1543-A1546 WeakPolarHBondContact O-CA 3.41Å; A1543-A1546 WeakPolarHBondContact O-CB 3.31Å; A1543-A1546 PolarHBondContact O-N 2.04Å; A1546-R1549 VanDerWaalsContact O-CB 3.32Å; A1546-R1549 WeakPolarHBondContact O-CB 3.42Å; A1546-R1549 PolarHBondContact O-N 2.76Å |
| 1547 | E | 57.3 | Low | 59.4 | Low | 145 Ų | 145 | 98.5 Ų | 98.5 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.3 | -42.1 | 178.4 | -71.6 | 172.7 | 170.4 | 0 | 0 | 111.6 | A1543 R1549 | A1543-E1547 WeakPolarHBondContact O-CB 3.46Å; A1543-E1547 WeakPolarHBondContact O-CG 3.34Å; A1543-E1547 PolarHBondContact O-N 2.69Å; E1547-R1549 VanDerWaalsContact C-N 3.25Å; E1547-R1549 PolarHBondContact O-N 3.45Å |
| 1548 | T | 51.8 | Low | 59.9 | Low | 63 Ų | 63 | 97.8 Ų | 97.8 | 39% | 0.387 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.7 | -10.8 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | I1544 G1550 S1551 M1552 | I1544-T1548 HydrophobicContact CG2-CG2 4.31Å; I1544-T1548 VanDerWaalsContact O-CB 3.3Å; I1544-T1548 WeakPolarHBondContact O-CB 3.34Å; I1544-T1548 VanDerWaalsContact O-CG2 3.24Å; I1544-T1548 WeakPolarHBondContact O-CG2 3.39Å; I1544-T1548 PolarHBondContact O-N 3.32Å; I1544-T1548 PolarHBondContact O-OG1 3.49Å; T1548-G1550 PolarHBondContact O-N 3.15Å; T1548-S1551 PolarHBondContact O-N 3.45Å; T1548-S1551 VanDerWaalsContact O-N 3.13Å; T1548-M1552 PolarHBondContact O-N 3.21Å; T1548-M1552 VanDerWaalsContact O-N 3.15Å |
| 1549 | R | 61.4 | Low | 60.7 | Low | 183 Ų | 183 | 101.6 Ų | 101.6 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.9 | -33 | 175.1 | -175.8 | 179.2 | -86.2 | 162.9 | -6.3 | 112.1 | A1546 E1547 | A1546-R1549 VanDerWaalsContact O-CB 3.32Å; A1546-R1549 WeakPolarHBondContact O-CB 3.42Å; A1546-R1549 PolarHBondContact O-N 2.76Å; E1547-R1549 VanDerWaalsContact C-N 3.25Å; E1547-R1549 PolarHBondContact O-N 3.45Å |
| 1550 | G | 61.8 | Low | 61.7 | Low | 44 Ų | 44 | 98.7 Ų | 98.7 | 45% | 0.454 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1548 M1552 S1553 L1554 | T1548-G1550 PolarHBondContact O-N 3.15Å; G1550-M1552 VanDerWaalsContact C-N 3.26Å; G1550-M1552 PolarHBondContact O-N 3.3Å; G1550-S1553 PolarHBondContact O-N 3.36Å; G1550-S1553 PolarHBondContact O-OG 3.38Å; G1550-L1554 PolarHBondContact O-N 3.15Å |
| 1551 | S | 59.7 | Low | 62.2 | Low | 80 Ų | 80 | 101.6 Ų | 101.6 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.9 | -32.4 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 113 | T1548 L1554 A1555 | T1548-S1551 PolarHBondContact O-N 3.45Å; T1548-S1551 VanDerWaalsContact O-N 3.13Å; S1551-L1554 PolarHBondContact O-N 3.02Å; S1551-A1555 PolarHBondContact O-N 3.16Å |
| 1552 | M | 58 | Low | 62.6 | Low | 127 Ų | 127 | 101.8 Ų | 101.8 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.1 | -37.9 | 177.3 | -144.5 | -164.7 | -46.3 | 0 | 0 | 112.8 | T1548 G1550 A1555 Q1556 | T1548-M1552 PolarHBondContact O-N 3.21Å; T1548-M1552 VanDerWaalsContact O-N 3.15Å; G1550-M1552 VanDerWaalsContact C-N 3.26Å; G1550-M1552 PolarHBondContact O-N 3.3Å; M1552-A1555 PolarHBondContact O-N 3.16Å; M1552-Q1556 PolarHBondContact O-N 3.34Å |
| 1553 | S | 67.8 | Low | 63.4 | Low | 68 Ų | 68 | 98.5 Ų | 98.5 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.8 | -33 | 177.4 | 77.8 | 0 | 0 | 0 | 0 | 112.2 | G1550 Q1556 Q1557 | G1550-S1553 PolarHBondContact O-N 3.36Å; G1550-S1553 PolarHBondContact O-OG 3.38Å; S1553-Q1556 PolarHBondContact O-N 2.04Å; S1553-Q1557 PolarHBondContact O-N 3.29Å |
| 1554 | L | 65.7 | Low | 63.9 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.6 | -42.2 | 173.4 | -174.3 | 65.8 | 0 | 0 | 0 | 111.7 | G1550 S1551 Q1556 Q1557 L1558 | G1550-L1554 PolarHBondContact O-N 3.15Å; S1551-L1554 PolarHBondContact O-N 3.02Å; L1554-Q1556 PolarHBondContact O-N 3.28Å; L1554-Q1557 PolarHBondContact O-N 2.84Å; L1554-L1558 HydrophobicContact CG-CD1 4.31Å; L1554-L1558 WeakPolarHBondContact O-CG 3.23Å; L1554-L1558 PolarHBondContact O-N 2.75Å |
| 1555 | A | 65.9 | Low | 64.2 | Low | 59 Ų | 59 | 101.6 Ų | 101.6 | 49% | 0.488 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.8 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1551 M1552 L1558 K1559 | S1551-A1555 PolarHBondContact O-N 3.16Å; M1552-A1555 PolarHBondContact O-N 3.16Å; A1555-L1558 PolarHBondContact O-N 3.06Å; A1555-K1559 PolarHBondContact O-N 2.82Å |
| 1556 | Q | 70.9 | Confident | 64.6 | Low | 150 Ų | 150 | 104.1 Ų | 104.1 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.6 | -36.5 | 176 | -74.2 | 178.7 | -24.2 | 0 | 0 | 112.7 | M1552 S1553 L1554 K1559 S1560 | M1552-Q1556 PolarHBondContact O-N 3.34Å; S1553-Q1556 PolarHBondContact O-N 2.04Å; L1554-Q1556 PolarHBondContact O-N 3.28Å; Q1556-K1559 PolarHBondContact O-N 2.78Å; Q1556-S1560 PolarHBondContact O-N 2.82Å |
| 1557 | Q | 71.6 | Confident | 65 | Low | 120 Ų | 120 | 106.5 Ų | 106.5 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.2 | -40.7 | 172 | -81.5 | -167.8 | -2.1 | 0 | 0 | 112.7 | S1553 L1554 K1559 S1560 R1561 | S1553-Q1557 PolarHBondContact O-N 3.29Å; L1554-Q1557 PolarHBondContact O-N 2.84Å; Q1557-K1559 VanDerWaalsContact C-N 3.32Å; Q1557-K1559 PolarHBondContact O-N 2.94Å; Q1557-S1560 PolarHBondContact O-N 3.4Å; Q1557-R1561 PolarHBondContact O-N 3.37Å; Q1557-R1561 VanDerWaalsContact O-N 3.14Å |
| 1558 | L | 68.7 | Low | 65.3 | Low | 101 Ų | 101 | 107.2 Ų | 107.2 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.6 | -39.4 | 179.3 | -73.7 | 167.7 | 0 | 0 | 0 | 112 | L1554 A1555 S1560 R1561 A1562 | L1554-L1558 HydrophobicContact CG-CD1 4.31Å; L1554-L1558 WeakPolarHBondContact O-CG 3.23Å; L1554-L1558 PolarHBondContact O-N 2.75Å; A1555-L1558 PolarHBondContact O-N 3.06Å; L1558-S1560 PolarHBondContact O-N 3.11Å; L1558-R1561 PolarHBondContact O-N 2.72Å; L1558-A1562 PolarHBondContact O-N 2.87Å |
| 1559 | K | 71.8 | Confident | 65.7 | Low | 138 Ų | 138 | 108.4 Ų | 108.4 | 60% | 0.6 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.7 | -47.1 | 172.9 | -170.3 | -159.8 | 169 | -64.2 | 0 | 112 | A1555 Q1556 Q1557 R1561 A1562 D1563 | A1555-K1559 PolarHBondContact O-N 2.82Å; Q1556-K1559 PolarHBondContact O-N 2.78Å; Q1557-K1559 VanDerWaalsContact C-N 3.32Å; Q1557-K1559 PolarHBondContact O-N 2.94Å; K1559-R1561 VanDerWaalsContact C-N 3.29Å; K1559-R1561 PolarHBondContact O-N 2.81Å; K1559-A1562 WeakPolarHBondContact O-CB 3.15Å; K1559-A1562 PolarHBondContact O-N 3.21Å; K1559-D1563 IonicContact NZ-OD2 3.55Å; K1559-D1563 PolarHBondContact NZ-OD2 2.81Å |
| 1560 | S | 72.5 | Confident | 65.9 | Low | 66 Ų | 66 | 107.2 Ų | 107.2 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62 | -35 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | Q1556 Q1557 L1558 | Q1556-S1560 PolarHBondContact O-N 2.82Å; Q1557-S1560 PolarHBondContact O-N 3.4Å; L1558-S1560 PolarHBondContact O-N 3.11Å |
| 1561 | R | 62.3 | Low | 66 | Low | 176 Ų | 176 | 106.8 Ų | 106.8 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.4 | -33 | 175.1 | -84.4 | 180 | 166.2 | 169.3 | -2.9 | 113.6 | Q1557 L1558 K1559 A1565 | Q1557-R1561 PolarHBondContact O-N 3.37Å; Q1557-R1561 VanDerWaalsContact O-N 3.14Å; L1558-R1561 PolarHBondContact O-N 2.72Å; K1559-R1561 VanDerWaalsContact C-N 3.29Å; K1559-R1561 PolarHBondContact O-N 2.81Å; R1561-A1565 PolarHBondContact O-N 3.32Å |
| 1562 | A | 64 | Low | 65.9 | Low | 64 Ų | 64 | 103 Ų | 103 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1558 K1559 Q1564 A1565 | L1558-A1562 PolarHBondContact O-N 2.87Å; K1559-A1562 WeakPolarHBondContact O-CB 3.15Å; K1559-A1562 PolarHBondContact O-N 3.21Å; A1562-Q1564 VanDerWaalsContact C-N 3.31Å; A1562-Q1564 PolarHBondContact O-N 2.9Å; A1562-A1565 PolarHBondContact O-N 3.02Å |
| 1563 | D | 70.9 | Confident | 66.1 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -33.4 | -179.3 | -69.7 | -43 | 0 | 0 | 0 | 112.2 | K1559 | K1559-D1563 IonicContact NZ-OD2 3.55Å; K1559-D1563 PolarHBondContact NZ-OD2 2.81Å |
| 1564 | Q | 68.7 | Low | 66.1 | Low | 131 Ų | 131 | 109.9 Ų | 109.9 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.4 | -26.6 | 177.9 | -69.8 | -175.7 | -6.5 | 0 | 0 | 114.5 | A1562 K1566 | A1562-Q1564 VanDerWaalsContact C-N 3.31Å; A1562-Q1564 PolarHBondContact O-N 2.9Å; Q1564-K1566 VanDerWaalsContact C-N 3.31Å; Q1564-K1566 PolarHBondContact O-N 3.35Å |
| 1565 | A | 57.9 | Low | 65.8 | Low | 52 Ų | 52 | 105.4 Ų | 105.4 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -34.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1561 A1562 V1567 R1568 | R1561-A1565 PolarHBondContact O-N 3.32Å; A1562-A1565 PolarHBondContact O-N 3.02Å; A1565-V1567 VanDerWaalsContact C-N 3.29Å; A1565-V1567 PolarHBondContact O-N 2.95Å; A1565-R1568 PolarHBondContact O-N 2.99Å |
| 1566 | K | 67.1 | Low | 65.5 | Low | 166 Ų | 166 | 104.2 Ų | 104.2 | 72% | 0.722 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -55.7 | -38.2 | -178.6 | -177.2 | 179.6 | 176 | -177 | 0 | 113.7 | Q1564 | Q1564-K1566 VanDerWaalsContact C-N 3.31Å; Q1564-K1566 PolarHBondContact O-N 3.35Å |
| 1567 | V | 70.3 | Confident | 65.2 | Low | 109 Ų | 109 | 104.6 Ų | 104.6 | 66% | 0.661 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -76.4 | -26.2 | -172.3 | 178.4 | 0 | 0 | 0 | 0 | 112.6 | A1565 I1569 | A1565-V1567 VanDerWaalsContact C-N 3.29Å; A1565-V1567 PolarHBondContact O-N 2.95Å; V1567-I1569 VanDerWaalsContact C-N 3.33Å; V1567-I1569 PolarHBondContact O-N 2.79Å |
| 1568 | R | 62.7 | Low | 64.9 | Low | 160 Ų | 160 | 105.4 Ų | 105.4 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76 | -21.1 | -177.9 | -68 | -175.7 | 176.2 | -168.9 | -2.9 | 113.7 | A1565 E1570 T1694 | A1565-R1568 PolarHBondContact O-N 2.99Å; R1568-E1570 PolarHBondContact O-N 3.14Å; R1568-T1694 HydrophobicContact CB-CG2 3.57Å; R1568-T1694 HydrophobicContact CG-CG2 4.23Å |
| 1569 | I | 59.3 | Low | 64.4 | Low | 88 Ų | 88 | 101.3 Ų | 101.3 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.4 | -174.9 | -70.4 | 167.5 | 0 | 0 | 0 | 112.1 | V1567 K1691 | V1567-I1569 VanDerWaalsContact C-N 3.33Å; V1567-I1569 PolarHBondContact O-N 2.79Å; I1569-K1691 HydrophobicContact CG2-CG 4.48Å; I1569-K1691 WeakPolarHBondContact O-CB 3.28Å; I1569-K1691 WeakPolarHBondContact O-CE 3.34Å; I1569-K1691 WeakPolarHBondContact O-CG 3.2Å |
| 1570 | E | 67 | Low | 64.2 | Low | 158 Ų | 158 | 100 Ų | 100 | 74% | 0.738 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -21.7 | -172.9 | -64.7 | 178 | 157.3 | 0 | 0 | 114.7 | R1568 V1572 | R1568-E1570 PolarHBondContact O-N 3.14Å; E1570-V1572 PolarHBondContact O-N 3.12Å |
| 1571 | A | 64.2 | Low | 63.8 | Low | 35 Ų | 35 | 101.4 Ų | 101.4 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -72.7 | -23.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1574 | A1571-R1574 PolarHBondContact O-NE 3.41Å; A1571-R1574 PolarHBondContact O-NH2 2.84Å |
| 1572 | V | 56.6 | Low | 63.8 | Low | 0 Ų | 0 | 93.9 Ų | 93.9 | 0% | 0 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -103.2 | -8 | -148.7 | 160.5 | 0 | 0 | 0 | 0 | 114.1 | E1570 R1574 A1575 L1687 L1688 E1690 K1691 | E1570-V1572 PolarHBondContact O-N 3.12Å; V1572-R1574 PolarHBondContact O-N 2.03Å; V1572-R1574 VanDerWaalsContact O-N 3.09Å; V1572-A1575 PolarHBondContact O-N 2.68Å; V1572-L1687 WeakPolarHBondContact CA-O 3.35Å; V1572-L1687 WeakPolarHBondContact CB-O 3.26Å; V1572-L1687 WeakPolarHBondContact CG1-O 3.42Å; V1572-L1687 HydrophobicContact CG2-CD2 4.36Å; V1572-L1687 WeakPolarHBondContact CG2-O 3.49Å; V1572-L1688 HydrophobicContact CG1-CD2 4.33Å; V1572-L1688 WeakPolarHBondContact CG1-O 3.31Å; V1572-E1690 HydrophobicContact CG2-CB 3.3Å; V1572-K1691 HydrophobicContact CB-CB 3.41Å; V1572-K1691 VanDerWaalsContact CB-CB 3.41Å; V1572-K1691 HydrophobicContact CB-CD 3.57Å; V1572-K1691 HydrophobicContact CB-CG 3.87Å; V1572-K1691 VanDerWaalsContact CG1-CA 3.46Å; V1572-K1691 HydrophobicContact CG1-CB 3.39Å; V1572-K1691 HydrophobicContact CG1-CD 3.48Å; V1572-K1691 VanDerWaalsContact CG1-CD 3.48Å; V1572-K1691 HydrophobicContact CG1-CG 3.68Å; V1572-K1691 HydrophobicContact CG2-CB 3.7Å |
| 1573 | E | 63.1 | Low | 63.7 | Low | 145 Ų | 145 | 95 Ų | 95 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -54.5 | -29.5 | 171.2 | -133.2 | 153.7 | 117.8 | 0 | 0 | 113.3 | K1691 | E1573-K1691 VanDerWaalsContact CB-NZ 3.31Å; E1573-K1691 IonicContact OE2-NZ 2.66Å; E1573-K1691 PolarHBondContact OE2-NZ 2.82Å |
| 1574 | R | 66.3 | Low | 63.4 | Low | 195 Ų | 195 | 95.9 Ų | 95.9 | 74% | 0.736 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -76.8 | -24.8 | -173.5 | -71 | 176 | -69.7 | -155.8 | -1 | 114 | A1571 V1572 | A1571-R1574 PolarHBondContact O-NE 3.41Å; A1571-R1574 PolarHBondContact O-NH2 2.84Å; V1572-R1574 PolarHBondContact O-N 2.03Å; V1572-R1574 VanDerWaalsContact O-N 3.09Å |
| 1575 | A | 60.7 | Low | 63.1 | Low | 1 Ų | 1 | 95.2 Ų | 95.2 | 1% | 0.008 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -64.9 | -48.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1572 H1577 E1578 T1684 L1687 L1688 | V1572-A1575 PolarHBondContact O-N 2.68Å; A1575-H1577 PolarHBondContact O-N 3.03Å; A1575-E1578 PolarHBondContact O-N 3.06Å; A1575-E1578 VanDerWaalsContact O-N 3.17Å; A1575-T1684 VanDerWaalsContact C-CG2 3.47Å; A1575-T1684 HydrophobicContact CB-CG2 4.16Å; A1575-T1684 WeakPolarHBondContact CB-O 3.48Å; A1575-T1684 WeakPolarHBondContact O-CG2 3.31Å; A1575-L1687 HydrophobicContact CB-CB 3.45Å; A1575-L1687 VanDerWaalsContact CB-CB 3.45Å; A1575-L1687 HydrophobicContact CB-CD1 4.01Å; A1575-L1687 HydrophobicContact CB-CD2 3.98Å; A1575-L1687 HydrophobicContact CB-CG 3.97Å; A1575-L1687 WeakPolarHBondContact CB-O 3.37Å; A1575-L1688 HydrophobicContact CB-CG 4.25Å |
| 1576 | A | 57.9 | Low | 63 | Low | 34 Ų | 34 | 94.6 Ų | 94.6 | 28% | 0.281 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -56.4 | -11.4 | -155.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | L1688 | A1576-L1688 HydrophobicContact CB-CD1 3.88Å; A1576-L1688 HydrophobicContact CB-CD2 3.93Å; A1576-L1688 HydrophobicContact CB-CG 4.09Å |
| 1577 | H | 66 | Low | 62.8 | Low | 157 Ų | 157 | 93.8 Ų | 93.8 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -78.8 | -24.9 | 179.8 | -82.2 | 57.6 | 0 | 0 | 0 | 114.2 | A1575 | A1575-H1577 PolarHBondContact O-N 3.03Š|
| 1578 | E | 63.8 | Low | 62.4 | Low | 137 Ų | 137 | 95.3 Ų | 95.3 | 64% | 0.64 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -85.5 | -31.9 | -171 | -69.1 | -176.7 | 153.4 | 0 | 0 | 114 | A1575 I1580 S1581 T1684 | A1575-E1578 PolarHBondContact O-N 3.06Å; A1575-E1578 VanDerWaalsContact O-N 3.17Å; E1578-I1580 PolarHBondContact O-N 3.15Å; E1578-I1580 VanDerWaalsContact O-N 3.09Å; E1578-S1581 PolarHBondContact O-N 3.05Å; E1578-T1684 HydrophobicContact CB-CG2 4.5Å; E1578-T1684 VanDerWaalsContact CB-OG1 3.31Å; E1578-T1684 WeakPolarHBondContact CB-OG1 3.5Å |
| 1579 | V | 60 | Low | 62.3 | Low | 16 Ų | 16 | 94.4 Ų | 94.4 | 10% | 0.097 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -51.9 | -32.1 | 175.3 | 126.5 | 0 | 0 | 0 | 0 | 113.5 | S1581 A1582 L1583 Y1681 T1684 | V1579-S1581 PolarHBondContact O-N 2.89Å; V1579-A1582 PolarHBondContact O-N 3.2Å; V1579-L1583 HydrophobicContact CG1-CD1 4.24Å; V1579-Y1681 HydrophobicContact CB-CD2 4.37Å; V1579-Y1681 HydrophobicContact CB-CE2 4.27Å; V1579-Y1681 HydrophobicContact CG1-CD2 4.44Å; V1579-Y1681 HydrophobicContact CG1-CE2 3.86Å; V1579-Y1681 HydrophobicContact CG2-CD1 4.18Å; V1579-Y1681 HydrophobicContact CG2-CD2 3.5Å; V1579-Y1681 VanDerWaalsContact CG2-CD2 3.5Å; V1579-Y1681 HydrophobicContact CG2-CE1 4.28Å; V1579-Y1681 HydrophobicContact CG2-CE2 3.62Å; V1579-Y1681 HydrophobicContact CG2-CG 3.79Å; V1579-T1684 HydrophobicContact CB-CG2 3.48Å; V1579-T1684 VanDerWaalsContact CB-CG2 3.48Å; V1579-T1684 VanDerWaalsContact CG2-CB 3.42Å; V1579-T1684 HydrophobicContact CG2-CG2 3.49Å; V1579-T1684 VanDerWaalsContact CG2-CG2 3.49Å; V1579-T1684 PolarHBondContact N-OG1 2.83Å |
| 1580 | I | 66.5 | Low | 62.3 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 56% | 0.559 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.9 | -29.6 | -171.4 | -62.9 | 175 | 0 | 0 | 0 | 111.5 | E1578 | E1578-I1580 PolarHBondContact O-N 3.15Å; E1578-I1580 VanDerWaalsContact O-N 3.09Å |
| 1581 | S | 64.9 | Low | 62.3 | Low | 97 Ų | 97 | 91.7 Ų | 91.7 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.8 | -36.9 | -179.1 | -163.7 | 0 | 0 | 0 | 0 | 113.1 | E1578 V1579 L1583 | E1578-S1581 PolarHBondContact O-N 3.05Å; V1579-S1581 PolarHBondContact O-N 2.89Å; S1581-L1583 VanDerWaalsContact C-N 3.33Å; S1581-L1583 PolarHBondContact O-N 2.66Å |
| 1582 | A | 61.6 | Low | 62.2 | Low | 17 Ų | 17 | 94.8 Ų | 94.8 | 14% | 0.14 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -70.7 | -25.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1579 N1584 D1585 L1677 Y1681 | V1579-A1582 PolarHBondContact O-N 3.2Å; A1582-N1584 VanDerWaalsContact C-N 3.26Å; A1582-N1584 PolarHBondContact O-N 3.36Å; A1582-D1585 PolarHBondContact O-N 3Å; A1582-L1677 HydrophobicContact CB-CD1 3.76Å; A1582-L1677 HydrophobicContact CB-CG 4.49Å; A1582-Y1681 HydrophobicContact CB-CD2 4.44Å |
| 1583 | L | 62.3 | Low | 62.3 | Low | 87 Ų | 87 | 96.9 Ų | 96.9 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.8 | -174 | -74.4 | 167.5 | 0 | 0 | 0 | 114.6 | V1579 S1581 Y1681 | V1579-L1583 HydrophobicContact CG1-CD1 4.24Å; S1581-L1583 VanDerWaalsContact C-N 3.33Å; S1581-L1583 PolarHBondContact O-N 2.66Å; L1583-Y1681 HydrophobicContact CD2-CE2 3.77Å; L1583-Y1681 HydrophobicContact CG-CE2 4.05Å |
| 1584 | N | 64.3 | Low | 62.4 | Low | 120 Ų | 120 | 97.7 Ų | 97.7 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -35.5 | 179.4 | -83.8 | -43.8 | 0 | 0 | 0 | 113.2 | A1582 K1587 | A1582-N1584 VanDerWaalsContact C-N 3.26Å; A1582-N1584 PolarHBondContact O-N 3.36Å; N1584-K1587 VanDerWaalsContact O-CB 3.22Å; N1584-K1587 WeakPolarHBondContact O-CB 3.4Å; N1584-K1587 PolarHBondContact O-N 3.19Å |
| 1585 | D | 61.7 | Low | 62.5 | Low | 117 Ų | 117 | 96 Ų | 96 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -32.4 | -175.8 | -67 | -24.7 | 0 | 0 | 0 | 112.2 | A1582 K1587 H1588 | A1582-D1585 PolarHBondContact O-N 3Å; D1585-K1587 PolarHBondContact O-N 2.71Å; D1585-K1587 VanDerWaalsContact O-N 3.08Å; D1585-H1588 PolarHBondContact O-N 3.42Å |
| 1586 | S | 56.7 | Low | 62.5 | Low | 38 Ų | 38 | 99.1 Ų | 99.1 | 27% | 0.266 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.5 | -25.5 | 172.4 | -68.2 | 0 | 0 | 0 | 0 | 113.6 | H1588 F1589 Q1590 | S1586-H1588 PolarHBondContact O-N 2.69Å; S1586-F1589 PolarHBondContact O-N 3.46Å; S1586-Q1590 WeakPolarHBondContact O-CG 3.4Å; S1586-Q1590 PolarHBondContact O-N 3.37Å |
| 1587 | K | 62.8 | Low | 62.7 | Low | 150 Ų | 150 | 102.3 Ų | 102.3 | 65% | 0.652 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -27.5 | -177.8 | -167.3 | 176.6 | -180 | 178.6 | 0 | 113.7 | N1584 D1585 | N1584-K1587 VanDerWaalsContact O-CB 3.22Å; N1584-K1587 WeakPolarHBondContact O-CB 3.4Å; N1584-K1587 PolarHBondContact O-N 3.19Å; D1585-K1587 PolarHBondContact O-N 2.71Å; D1585-K1587 VanDerWaalsContact O-N 3.08Å |
| 1588 | H | 62 | Low | 62.9 | Low | 141 Ų | 141 | 96.4 Ų | 96.4 | 65% | 0.653 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -76.1 | -46.8 | 176.5 | -174.4 | -66.9 | 0 | 0 | 0 | 111.5 | D1585 S1586 Q1590 A1591 | D1585-H1588 PolarHBondContact O-N 3.42Å; S1586-H1588 PolarHBondContact O-N 2.69Å; H1588-Q1590 VanDerWaalsContact C-N 3.29Å; H1588-Q1590 PolarHBondContact O-N 2.84Å; H1588-A1591 WeakPolarHBondContact O-CB 3.48Å; H1588-A1591 PolarHBondContact O-N 2.93Å; H1588-A1591 VanDerWaalsContact O-N 3.13Å |
| 1589 | F | 61.6 | Low | 63.1 | Low | 141 Ų | 141 | 92.3 Ų | 92.3 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.5 | -28.9 | 179.4 | -69.1 | -75.2 | 0 | 0 | 0 | 112.7 | S1586 A1591 V1592 A1593 | S1586-F1589 PolarHBondContact O-N 3.46Å; F1589-A1591 PolarHBondContact O-N 3.09Å; F1589-V1592 PolarHBondContact O-N 3.05Å; F1589-A1593 PolarHBondContact O-N 2.77Å; F1589-A1593 VanDerWaalsContact O-N 3.11Å |
| 1590 | Q | 59.5 | Low | 63.1 | Low | 124 Ų | 124 | 93.8 Ų | 93.8 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -54.6 | -30.9 | 169.2 | -80.6 | 176.6 | -8.1 | 0 | 0 | 113.4 | S1586 H1588 K1594 | S1586-Q1590 WeakPolarHBondContact O-CG 3.4Å; S1586-Q1590 PolarHBondContact O-N 3.37Å; H1588-Q1590 VanDerWaalsContact C-N 3.29Å; H1588-Q1590 PolarHBondContact O-N 2.84Å; Q1590-K1594 VanDerWaalsContact O-CB 3.27Å; Q1590-K1594 WeakPolarHBondContact O-CB 3.4Å; Q1590-K1594 PolarHBondContact O-N 3.25Å |
| 1591 | A | 65.5 | Low | 63.2 | Low | 64 Ų | 64 | 91.3 Ų | 91.3 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.6 | -43.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1588 F1589 K1594 | H1588-A1591 WeakPolarHBondContact O-CB 3.48Å; H1588-A1591 PolarHBondContact O-N 2.93Å; H1588-A1591 VanDerWaalsContact O-N 3.13Å; F1589-A1591 PolarHBondContact O-N 3.09Å; A1591-K1594 WeakPolarHBondContact O-CB 3.05Å; A1591-K1594 PolarHBondContact O-N 3.49Å |
| 1592 | V | 62.4 | Low | 63.6 | Low | 101 Ų | 101 | 94.5 Ų | 94.5 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.1 | -40.6 | 177.2 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | F1589 K1594 E1595 A1596 | F1589-V1592 PolarHBondContact O-N 3.05Å; V1592-K1594 PolarHBondContact O-N 2.94Å; V1592-E1595 PolarHBondContact O-N 3.3Å; V1592-A1596 PolarHBondContact O-N 2.98Å |
| 1593 | A | 58.1 | Low | 63.8 | Low | 44 Ų | 44 | 99.3 Ų | 99.3 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.2 | -36.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1589 E1595 A1596 I1597 | F1589-A1593 PolarHBondContact O-N 2.77Å; F1589-A1593 VanDerWaalsContact O-N 3.11Å; A1593-E1595 VanDerWaalsContact C-N 3.3Å; A1593-E1595 PolarHBondContact O-N 3Å; A1593-A1596 PolarHBondContact O-N 3.42Å; A1593-I1597 HydrophobicContact CB-CD1 4.33Å; A1593-I1597 VanDerWaalsContact O-CB 3.27Å; A1593-I1597 WeakPolarHBondContact O-CB 3.48Å; A1593-I1597 WeakPolarHBondContact O-CD1 3.04Å; A1593-I1597 WeakPolarHBondContact O-CG1 3.03Å; A1593-I1597 PolarHBondContact O-N 2.77Å |
| 1594 | K | 66.3 | Low | 63.8 | Low | 162 Ų | 162 | 102.8 Ų | 102.8 | 70% | 0.704 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64 | -29.9 | -179.9 | -161.8 | 174.3 | -173 | 179.9 | 0 | 113.8 | Q1590 A1591 V1592 G1598 | Q1590-K1594 VanDerWaalsContact O-CB 3.27Å; Q1590-K1594 WeakPolarHBondContact O-CB 3.4Å; Q1590-K1594 PolarHBondContact O-N 3.25Å; A1591-K1594 WeakPolarHBondContact O-CB 3.05Å; A1591-K1594 PolarHBondContact O-N 3.49Å; V1592-K1594 PolarHBondContact O-N 2.94Å; K1594-G1598 PolarHBondContact O-N 3.02Å |
| 1595 | E | 68.6 | Low | 64.1 | Low | 158 Ų | 158 | 102.5 Ų | 102.5 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.9 | -43.4 | 176.5 | -170.6 | 168.4 | -163.9 | 0 | 0 | 111.5 | V1592 A1593 G1598 S1599 | V1592-E1595 PolarHBondContact O-N 3.3Å; A1593-E1595 VanDerWaalsContact C-N 3.3Å; A1593-E1595 PolarHBondContact O-N 3Å; E1595-G1598 PolarHBondContact O-N 3.2Å; E1595-G1598 VanDerWaalsContact O-N 3.16Å; E1595-S1599 PolarHBondContact O-N 2.87Å; E1595-S1599 VanDerWaalsContact O-N 3.08Å |
| 1596 | A | 59.6 | Low | 64.4 | Low | 67 Ų | 67 | 101.1 Ų | 101.1 | 55% | 0.554 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -43.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1592 A1593 G1598 S1599 A1600 | V1592-A1596 PolarHBondContact O-N 2.98Å; A1593-A1596 PolarHBondContact O-N 3.42Å; A1596-G1598 VanDerWaalsContact C-N 3.3Å; A1596-G1598 PolarHBondContact O-N 2.91Å; A1596-S1599 PolarHBondContact O-N 2.97Å; A1596-A1600 PolarHBondContact O-N 3.39Å |
| 1597 | I | 61.9 | Low | 64.6 | Low | 102 Ų | 102 | 101.3 Ų | 101.3 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 171.7 | -68.6 | 166.6 | 0 | 0 | 0 | 110.1 | A1593 S1599 A1600 S1601 | A1593-I1597 HydrophobicContact CB-CD1 4.33Å; A1593-I1597 VanDerWaalsContact O-CB 3.27Å; A1593-I1597 WeakPolarHBondContact O-CB 3.48Å; A1593-I1597 WeakPolarHBondContact O-CD1 3.04Å; A1593-I1597 WeakPolarHBondContact O-CG1 3.03Å; A1593-I1597 PolarHBondContact O-N 2.77Å; I1597-S1599 VanDerWaalsContact C-N 3.31Å; I1597-S1599 PolarHBondContact O-N 2.88Å; I1597-A1600 CarbonylContact O-C 3.52Å; I1597-A1600 PolarHBondContact O-N 3.19Å; I1597-S1601 WeakPolarHBondContact O-CA 3.49Å; I1597-S1601 WeakPolarHBondContact O-CB 3.3Å; I1597-S1601 PolarHBondContact O-N 3.46Å; I1597-S1601 PolarHBondContact O-OG 2.65Å |
| 1598 | G | 72.2 | Confident | 64.7 | Low | 33 Ų | 33 | 96.4 Ų | 96.4 | 34% | 0.34 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1594 E1595 A1596 R1602 | K1594-G1598 PolarHBondContact O-N 3.02Å; E1595-G1598 PolarHBondContact O-N 3.2Å; E1595-G1598 VanDerWaalsContact O-N 3.16Å; A1596-G1598 VanDerWaalsContact C-N 3.3Å; A1596-G1598 PolarHBondContact O-N 2.91Å; G1598-R1602 PolarHBondContact O-N 2.82Å |
| 1599 | S | 66 | Low | 65 | Low | 51 Ų | 51 | 93.4 Ų | 93.4 | 36% | 0.357 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.9 | -38.9 | 174.8 | -141.9 | 0 | 0 | 0 | 0 | 112.8 | E1595 A1596 I1597 S1601 R1602 N1603 | E1595-S1599 PolarHBondContact O-N 2.87Å; E1595-S1599 VanDerWaalsContact O-N 3.08Å; A1596-S1599 PolarHBondContact O-N 2.97Å; I1597-S1599 VanDerWaalsContact C-N 3.31Å; I1597-S1599 PolarHBondContact O-N 2.88Å; S1599-S1601 VanDerWaalsContact C-N 3.33Å; S1599-R1602 PolarHBondContact O-N 3.39Å; S1599-R1602 PolarHBondContact OG-NH2 2.03Å; S1599-N1603 PolarHBondContact O-N 3.25Å |
| 1600 | A | 60.8 | Low | 65.1 | Low | 47 Ų | 47 | 90.9 Ų | 90.9 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1596 I1597 N1603 F1604 | A1596-A1600 PolarHBondContact O-N 3.39Å; I1597-A1600 CarbonylContact O-C 3.52Å; I1597-A1600 PolarHBondContact O-N 3.19Å; A1600-N1603 PolarHBondContact O-N 3.14Å; A1600-F1604 WeakPolarHBondContact O-CB 3.2Å; A1600-F1604 PolarHBondContact O-N 2.87Å |
| 1601 | S | 68.9 | Low | 65.2 | Low | 57 Ų | 57 | 90.3 Ų | 90.3 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 174.4 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | I1597 S1599 N1603 F1604 Q1605 | I1597-S1601 WeakPolarHBondContact O-CA 3.49Å; I1597-S1601 WeakPolarHBondContact O-CB 3.3Å; I1597-S1601 PolarHBondContact O-N 3.46Å; I1597-S1601 PolarHBondContact O-OG 2.65Å; S1599-S1601 VanDerWaalsContact C-N 3.33Å; S1601-N1603 VanDerWaalsContact C-N 3.35Å; S1601-F1604 CarbonylContact O-C 3.55Å; S1601-F1604 PolarHBondContact O-N 2.81Å; S1601-Q1605 VanDerWaalsContact O-CB 3.26Å; S1601-Q1605 WeakPolarHBondContact O-CB 3.01Å; S1601-Q1605 PolarHBondContact O-N 3.05Å |
| 1602 | R | 73.6 | Confident | 65.1 | Low | 163 Ų | 163 | 91.7 Ų | 91.7 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.3 | -39.8 | 171.4 | -74.2 | -178.1 | -63.4 | -160.3 | -0.2 | 112.1 | G1598 S1599 Q1605 V1606 | G1598-R1602 PolarHBondContact O-N 2.82Å; S1599-R1602 PolarHBondContact O-N 3.39Å; S1599-R1602 PolarHBondContact OG-NH2 2.03Å; R1602-Q1605 WeakPolarHBondContact O-CB 3.19Å; R1602-Q1605 PolarHBondContact O-N 3.02Å; R1602-V1606 WeakPolarHBondContact O-CG2 3.03Å; R1602-V1606 PolarHBondContact O-N 2.82Å |
| 1603 | N | 65.8 | Low | 65.1 | Low | 118 Ų | 118 | 93.3 Ų | 93.3 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.3 | -37.9 | 176.1 | -65.8 | 3.3 | 0 | 0 | 0 | 111.8 | S1599 A1600 S1601 Q1605 A1607 | S1599-N1603 PolarHBondContact O-N 3.25Å; A1600-N1603 PolarHBondContact O-N 3.14Å; S1601-N1603 VanDerWaalsContact C-N 3.35Å; N1603-Q1605 VanDerWaalsContact C-N 3.32Å; N1603-A1607 WeakPolarHBondContact O-CB 3.02Å; N1603-A1607 PolarHBondContact O-N 3.08Å |
| 1604 | F | 62.9 | Low | 64.9 | Low | 161 Ų | 161 | 96.1 Ų | 96.1 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -32.5 | 169.2 | -97.6 | -73.8 | 0 | 0 | 0 | 112.4 | A1600 S1601 S1608 | A1600-F1604 WeakPolarHBondContact O-CB 3.2Å; A1600-F1604 PolarHBondContact O-N 2.87Å; S1601-F1604 CarbonylContact O-C 3.55Å; S1601-F1604 PolarHBondContact O-N 2.81Å; F1604-S1608 WeakPolarHBondContact O-CA 3.4Å; F1604-S1608 WeakPolarHBondContact O-CB 3.21Å; F1604-S1608 PolarHBondContact O-N 3.48Å |
| 1605 | Q | 70.2 | Confident | 64.4 | Low | 114 Ų | 114 | 90.9 Ų | 90.9 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -47 | 176.3 | -158.1 | 81.3 | 49.3 | 0 | 0 | 109.7 | S1601 R1602 N1603 A1607 S1608 D1609 | S1601-Q1605 VanDerWaalsContact O-CB 3.26Å; S1601-Q1605 WeakPolarHBondContact O-CB 3.01Å; S1601-Q1605 PolarHBondContact O-N 3.05Å; R1602-Q1605 WeakPolarHBondContact O-CB 3.19Å; R1602-Q1605 PolarHBondContact O-N 3.02Å; N1603-Q1605 VanDerWaalsContact C-N 3.32Å; Q1605-A1607 PolarHBondContact O-N 3.41Å; Q1605-S1608 CarbonylContact O-C 3.58Å; Q1605-S1608 PolarHBondContact O-N 3.07Å; Q1605-S1608 VanDerWaalsContact O-N 3.15Å; Q1605-D1609 WeakPolarHBondContact O-CB 3.49Å; Q1605-D1609 PolarHBondContact O-N 2.96Å |
| 1606 | V | 68.4 | Low | 63.8 | Low | 87 Ų | 87 | 89.3 Ų | 89.3 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.8 | 174 | 0 | 0 | 0 | 0 | 110.9 | R1602 S1608 D1609 D1610 | R1602-V1606 WeakPolarHBondContact O-CG2 3.03Å; R1602-V1606 PolarHBondContact O-N 2.82Å; V1606-S1608 VanDerWaalsContact C-N 3.29Å; V1606-S1608 PolarHBondContact O-N 2.77Å; V1606-D1609 PolarHBondContact O-N 2.82Å; V1606-D1610 WeakPolarHBondContact O-CB 3.06Å; V1606-D1610 VanDerWaalsContact O-CG 3.28Å; V1606-D1610 PolarHBondContact O-N 3.48Å |
| 1607 | A | 59.5 | Low | 63.4 | Low | 43 Ų | 43 | 90.4 Ų | 90.4 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -29.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1603 Q1605 L1611 | N1603-A1607 WeakPolarHBondContact O-CB 3.02Å; N1603-A1607 PolarHBondContact O-N 3.08Å; Q1605-A1607 PolarHBondContact O-N 3.41Å; A1607-L1611 VanDerWaalsContact O-CB 3.26Å; A1607-L1611 WeakPolarHBondContact O-CB 3.35Å; A1607-L1611 WeakPolarHBondContact O-CD1 3.06Å; A1607-L1611 WeakPolarHBondContact O-CG 3.23Å; A1607-L1611 PolarHBondContact O-N 2.04Å |
| 1608 | S | 66 | Low | 62.9 | Low | 47 Ų | 47 | 89.8 Ų | 89.8 | 33% | 0.329 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.4 | -38.2 | 174 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | F1604 Q1605 V1606 D1610 L1611 D1612 | F1604-S1608 WeakPolarHBondContact O-CA 3.4Å; F1604-S1608 WeakPolarHBondContact O-CB 3.21Å; F1604-S1608 PolarHBondContact O-N 3.48Å; Q1605-S1608 CarbonylContact O-C 3.58Å; Q1605-S1608 PolarHBondContact O-N 3.07Å; Q1605-S1608 VanDerWaalsContact O-N 3.15Å; V1606-S1608 VanDerWaalsContact C-N 3.29Å; V1606-S1608 PolarHBondContact O-N 2.77Å; S1608-D1610 VanDerWaalsContact C-N 3.32Å; S1608-L1611 CarbonylContact O-C 3.36Å; S1608-L1611 PolarHBondContact O-N 3.34Å; S1608-D1612 WeakPolarHBondContact O-CA 3.09Å; S1608-D1612 WeakPolarHBondContact O-CB 3.49Å; S1608-D1612 VanDerWaalsContact O-CG 3.26Å; S1608-D1612 PolarHBondContact O-N 2.82Å; S1608-D1612 PolarHBondContact OG-OD2 2.74Å |
| 1609 | D | 67.7 | Low | 61.8 | Low | 77 Ų | 77 | 96 Ų | 96 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -36 | 175.6 | -66.3 | -19.8 | 0 | 0 | 0 | 109.8 | Q1605 V1606 Q1613 | Q1605-D1609 WeakPolarHBondContact O-CB 3.49Å; Q1605-D1609 PolarHBondContact O-N 2.96Å; V1606-D1609 PolarHBondContact O-N 2.82Å; D1609-Q1613 WeakPolarHBondContact O-CB 3.39Å; D1609-Q1613 WeakPolarHBondContact O-CG 3.04Å; D1609-Q1613 PolarHBondContact O-N 2.96Å |
| 1610 | D | 63.8 | Low | 61.3 | Low | 88 Ų | 88 | 102.3 Ų | 102.3 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 169.4 | -72.9 | -26 | 0 | 0 | 0 | 111.1 | V1606 S1608 D1612 Q1613 I1614 | V1606-D1610 WeakPolarHBondContact O-CB 3.06Å; V1606-D1610 VanDerWaalsContact O-CG 3.28Å; V1606-D1610 PolarHBondContact O-N 3.48Å; S1608-D1610 VanDerWaalsContact C-N 3.32Å; D1610-D1612 PolarHBondContact O-N 2.68Å; D1610-Q1613 PolarHBondContact O-N 3.45Å; D1610-I1614 WeakPolarHBondContact O-CB 3.33Å; D1610-I1614 WeakPolarHBondContact O-CD1 3.31Å; D1610-I1614 WeakPolarHBondContact O-CG1 3.5Å; D1610-I1614 PolarHBondContact O-N 3.46Å |
| 1611 | L | 60.5 | Low | 60.6 | Low | 113 Ų | 113 | 104.5 Ų | 104.5 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -30.6 | 175.9 | -77.9 | 167.2 | 0 | 0 | 0 | 113.3 | A1607 S1608 A1615 | A1607-L1611 VanDerWaalsContact O-CB 3.26Å; A1607-L1611 WeakPolarHBondContact O-CB 3.35Å; A1607-L1611 WeakPolarHBondContact O-CD1 3.06Å; A1607-L1611 WeakPolarHBondContact O-CG 3.23Å; A1607-L1611 PolarHBondContact O-N 2.04Å; S1608-L1611 CarbonylContact O-C 3.36Å; S1608-L1611 PolarHBondContact O-N 3.34Å; L1611-A1615 WeakPolarHBondContact O-CB 3.27Å; L1611-A1615 PolarHBondContact O-N 3.16Å |
| 1612 | D | 64.6 | Low | 59.5 | Low | 93 Ų | 93 | 104.5 Ų | 104.5 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -79.9 | -36.5 | 176.3 | -79 | -37.3 | 0 | 0 | 0 | 110.5 | S1608 D1610 I1614 A1615 E1616 | S1608-D1612 WeakPolarHBondContact O-CA 3.09Å; S1608-D1612 WeakPolarHBondContact O-CB 3.49Å; S1608-D1612 VanDerWaalsContact O-CG 3.26Å; S1608-D1612 PolarHBondContact O-N 2.82Å; S1608-D1612 PolarHBondContact OG-OD2 2.74Å; D1610-D1612 PolarHBondContact O-N 2.68Å; D1612-I1614 VanDerWaalsContact C-N 3.34Å; D1612-A1615 PolarHBondContact O-N 3.07Å; D1612-E1616 WeakPolarHBondContact O-CB 3.28Å; D1612-E1616 PolarHBondContact O-N 2.8Å |
| 1613 | Q | 62 | Low | 58.1 | Low | 134 Ų | 134 | 104.9 Ų | 104.9 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.2 | -42.3 | 165.6 | -83.2 | -169.2 | 33.7 | 0 | 0 | 111.2 | D1609 D1610 T1617 | D1609-Q1613 WeakPolarHBondContact O-CB 3.39Å; D1609-Q1613 WeakPolarHBondContact O-CG 3.04Å; D1609-Q1613 PolarHBondContact O-N 2.96Å; D1610-Q1613 PolarHBondContact O-N 3.45Å; Q1613-T1617 WeakPolarHBondContact O-CB 3.05Å; Q1613-T1617 PolarHBondContact O-N 3.48Å; Q1613-T1617 PolarHBondContact O-OG1 2.93Å |
| 1614 | I | 54.1 | Low | 56.7 | Low | 103 Ų | 103 | 103.2 Ų | 103.2 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.9 | -49.2 | 173.6 | -71.6 | 162.7 | 0 | 0 | 0 | 109.3 | D1610 D1612 E1616 T1617 T1618 | D1610-I1614 WeakPolarHBondContact O-CB 3.33Å; D1610-I1614 WeakPolarHBondContact O-CD1 3.31Å; D1610-I1614 WeakPolarHBondContact O-CG1 3.5Å; D1610-I1614 PolarHBondContact O-N 3.46Å; D1612-I1614 VanDerWaalsContact C-N 3.34Å; I1614-E1616 PolarHBondContact O-N 3.17Å; I1614-T1617 PolarHBondContact O-N 3.12Å; I1614-T1618 VanDerWaalsContact O-CB 3.28Å; I1614-T1618 WeakPolarHBondContact O-CB 3.32Å; I1614-T1618 PolarHBondContact O-N 3.04Å; I1614-T1618 PolarHBondContact O-OG1 3.38Å |
| 1615 | A | 55.5 | Low | 55.5 | Low | 52 Ų | 52 | 103.7 Ų | 103.7 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65 | -39.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1611 D1612 T1618 K1619 | L1611-A1615 WeakPolarHBondContact O-CB 3.27Å; L1611-A1615 PolarHBondContact O-N 3.16Å; D1612-A1615 PolarHBondContact O-N 3.07Å; A1615-T1618 PolarHBondContact O-N 3.14Å; A1615-K1619 VanDerWaalsContact O-CB 3.24Å; A1615-K1619 WeakPolarHBondContact O-CB 3.31Å; A1615-K1619 PolarHBondContact O-N 3.27Å |
| 1616 | E | 56.8 | Low | 54 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.1 | -32.1 | 178.2 | -169.8 | 159.7 | -148.8 | 0 | 0 | 111.7 | D1612 I1614 K1619 R1620 | D1612-E1616 WeakPolarHBondContact O-CB 3.28Å; D1612-E1616 PolarHBondContact O-N 2.8Å; I1614-E1616 PolarHBondContact O-N 3.17Å; E1616-K1619 PolarHBondContact O-N 3.06Å; E1616-R1620 WeakPolarHBondContact O-CB 3.33Å; E1616-R1620 WeakPolarHBondContact O-CG 3.25Å; E1616-R1620 PolarHBondContact O-N 3.29Å |
| 1617 | T | 51.5 | Low | 52.7 | Low | 89 Ų | 89 | 106.7 Ų | 106.7 | 55% | 0.546 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.1 | -40.4 | 168.2 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | Q1613 I1614 K1619 T1621 | Q1613-T1617 WeakPolarHBondContact O-CB 3.05Å; Q1613-T1617 PolarHBondContact O-N 3.48Å; Q1613-T1617 PolarHBondContact O-OG1 2.93Å; I1614-T1617 PolarHBondContact O-N 3.12Å; T1617-K1619 VanDerWaalsContact C-N 3.33Å; T1617-T1621 WeakPolarHBondContact O-CB 3.5Å; T1617-T1621 WeakPolarHBondContact O-CG2 3.24Å; T1617-T1621 PolarHBondContact O-N 3.14Å; T1617-T1621 PolarHBondContact O-OG1 3.03Å |
| 1618 | T | 50.4 | Low | 51.8 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -33.8 | 172.8 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | I1614 A1615 T1621 G1622 | I1614-T1618 VanDerWaalsContact O-CB 3.28Å; I1614-T1618 WeakPolarHBondContact O-CB 3.32Å; I1614-T1618 PolarHBondContact O-N 3.04Å; I1614-T1618 PolarHBondContact O-OG1 3.38Å; A1615-T1618 PolarHBondContact O-N 3.14Å; T1618-T1621 VanDerWaalsContact CA-OG1 3.29Å; T1618-T1621 WeakPolarHBondContact CA-OG1 3.06Å; T1618-T1621 PolarHBondContact O-OG1 3.29Å; T1618-T1621 VanDerWaalsContact O-OG1 3.14Å; T1618-G1622 PolarHBondContact O-N 3.49Å |
| 1619 | K | 49 | Very low | 50.7 | Low | 164 Ų | 164 | 110.7 Ų | 110.7 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.2 | -42.8 | 176.2 | -165.4 | 175 | -176.6 | -178.6 | 0 | 112.3 | A1615 E1616 T1617 T1621 G1622 | A1615-K1619 VanDerWaalsContact O-CB 3.24Å; A1615-K1619 WeakPolarHBondContact O-CB 3.31Å; A1615-K1619 PolarHBondContact O-N 3.27Å; E1616-K1619 PolarHBondContact O-N 3.06Å; T1617-K1619 VanDerWaalsContact C-N 3.33Å; K1619-T1621 VanDerWaalsContact C-N 3.3Å; K1619-T1621 PolarHBondContact O-N 3.39Å; K1619-G1622 PolarHBondContact O-N 3.31Å |
| 1620 | R | 55.4 | Low | 49.9 | Very low | 182 Ų | 182 | 114.2 Ų | 114.2 | 69% | 0.687 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.9 | -15.6 | 176.2 | -67.5 | 177.1 | 81 | 172.4 | 4.2 | 113.7 | E1616 | E1616-R1620 WeakPolarHBondContact O-CB 3.33Å; E1616-R1620 WeakPolarHBondContact O-CG 3.25Å; E1616-R1620 PolarHBondContact O-N 3.29Å |
| 1621 | T | 45.5 | Very low | 49.1 | Very low | 94 Ų | 94 | 113 Ų | 113 | 58% | 0.577 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -85.9 | -11 | 169.8 | 42.4 | 0 | 0 | 0 | 0 | 113.6 | T1617 T1618 K1619 | T1617-T1621 WeakPolarHBondContact O-CB 3.5Å; T1617-T1621 WeakPolarHBondContact O-CG2 3.24Å; T1617-T1621 PolarHBondContact O-N 3.14Å; T1617-T1621 PolarHBondContact O-OG1 3.03Å; T1618-T1621 VanDerWaalsContact CA-OG1 3.29Å; T1618-T1621 WeakPolarHBondContact CA-OG1 3.06Å; T1618-T1621 PolarHBondContact O-OG1 3.29Å; T1618-T1621 VanDerWaalsContact O-OG1 3.14Å; K1619-T1621 VanDerWaalsContact C-N 3.3Å; K1619-T1621 PolarHBondContact O-N 3.39Å |
| 1622 | G | 46.7 | Very low | 48.6 | Very low | 56 Ų | 56 | 112.7 Ų | 112.7 | 58% | 0.577 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -75.9 | -15.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1618 K1619 | T1618-G1622 PolarHBondContact O-N 3.49Å; K1619-G1622 PolarHBondContact O-N 3.31Å |
| 1623 | E | 44.9 | Very low | 48 | Very low | 171 Ų | 171 | 113.5 Ų | 113.5 | 80% | 0.799 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -101.3 | -4.2 | -174.2 | -65.8 | -176.8 | 150.9 | 0 | 0 | 114.2 | ||
| 1624 | T | 36.3 | Very low | 47.8 | Very low | 84 Ų | 84 | 115.3 Ų | 115.3 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | trans | -122.1 | 70.6 | -175.5 | -38.2 | 0 | 0 | 0 | 0 | 112.2 | D1626 L1627 | T1624-D1626 PolarHBondContact O-N 3.3Å; T1624-D1626 VanDerWaalsContact O-N 3.11Å; T1624-L1627 HydrophobicContact CG2-CD1 4.04Å | ||
| 1625 | M | 37.4 | Very low | 47.5 | Very low | 171 Ų | 171 | 115.9 Ų | 115.9 | 84% | 0.842 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -2.9 | -171 | -73.7 | -177.3 | 64.7 | 0 | 0 | 116.7 | ||
| 1626 | D | 38.6 | Very low | 47.5 | Very low | 164 Ų | 164 | 122.3 Ų | 122.3 | 88% | 0.877 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -2 | -176.2 | -78.5 | -33.1 | 0 | 0 | 0 | 115.6 | T1624 | T1624-D1626 PolarHBondContact O-N 3.3Å; T1624-D1626 VanDerWaalsContact O-N 3.11Å |
| 1627 | L | 41.7 | Very low | 47.5 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 52% | 0.518 | 64% | 0.641 | S | S | . | * | trans | -106.7 | 8.4 | -175.5 | -73.1 | 166.6 | 0 | 0 | 0 | 114.9 | T1624 S1629 Q1630 | T1624-L1627 HydrophobicContact CG2-CD1 4.04Å; L1627-S1629 VanDerWaalsContact C-N 3.28Å; L1627-S1629 PolarHBondContact O-N 2.03Å; L1627-S1629 VanDerWaalsContact O-N 3.1Å; L1627-Q1630 PolarHBondContact O-N 2.87Å; L1627-Q1630 VanDerWaalsContact O-N 3.16Å | ||
| 1628 | S | 39.9 | Very low | 47.5 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.2 | -25.9 | -165.5 | -159.2 | 0 | 0 | 0 | 0 | 115.6 | Q1630 S1631 L1632 | S1628-Q1630 PolarHBondContact O-N 2.95Å; S1628-S1631 PolarHBondContact O-N 3.37Å; S1628-L1632 PolarHBondContact O-N 3.16Å; S1628-L1632 VanDerWaalsContact O-N 3.08Å |
| 1629 | S | 42.5 | Very low | 47.6 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.7 | -28 | 179 | -162.6 | 0 | 0 | 0 | 0 | 113.7 | L1627 | L1627-S1629 VanDerWaalsContact C-N 3.28Å; L1627-S1629 PolarHBondContact O-N 2.03Å; L1627-S1629 VanDerWaalsContact O-N 3.1Å |
| 1630 | Q | 51.5 | Low | 47.9 | Very low | 150 Ų | 150 | 120.9 Ų | 120.9 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.9 | -32.4 | 172.5 | -67.4 | -174.6 | 3.4 | 0 | 0 | 111.8 | L1627 S1628 N1633 K1634 | L1627-Q1630 PolarHBondContact O-N 2.87Å; L1627-Q1630 VanDerWaalsContact O-N 3.16Å; S1628-Q1630 PolarHBondContact O-N 2.95Å; Q1630-N1633 PolarHBondContact O-N 2.81Å; Q1630-K1634 PolarHBondContact O-N 2.77Å |
| 1631 | S | 46.1 | Very low | 47.9 | Very low | 63 Ų | 63 | 118.7 Ų | 118.7 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.7 | -35.2 | 176.4 | -60 | 0 | 0 | 0 | 0 | 112.8 | S1628 N1633 K1634 L1635 | S1628-S1631 PolarHBondContact O-N 3.37Å; S1631-N1633 VanDerWaalsContact C-N 3.33Å; S1631-N1633 PolarHBondContact O-N 3.11Å; S1631-K1634 PolarHBondContact O-N 3.28Å; S1631-L1635 WeakPolarHBondContact O-CB 3.42Å; S1631-L1635 PolarHBondContact O-N 2.89Å |
| 1632 | L | 49.6 | Very low | 48.3 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 56% | 0.56 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.7 | -36.4 | 176.9 | -90 | 161.8 | 0 | 0 | 0 | 113.7 | S1628 L1635 R1636 | S1628-L1632 PolarHBondContact O-N 3.16Å; S1628-L1632 VanDerWaalsContact O-N 3.08Å; L1632-L1635 PolarHBondContact O-N 3Å; L1632-R1636 PolarHBondContact O-N 3.03Å; L1632-R1636 VanDerWaalsContact O-N 3.1Å |
| 1633 | N | 53.8 | Low | 48.6 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.1 | -37 | 174.8 | -79.8 | -31 | 0 | 0 | 0 | 112.4 | Q1630 S1631 L1635 R1636 E1637 | Q1630-N1633 PolarHBondContact O-N 2.81Å; S1631-N1633 VanDerWaalsContact C-N 3.33Å; S1631-N1633 PolarHBondContact O-N 3.11Å; N1633-L1635 VanDerWaalsContact C-N 3.31Å; N1633-L1635 PolarHBondContact O-N 3.12Å; N1633-R1636 PolarHBondContact O-N 3.42Å; N1633-E1637 PolarHBondContact O-N 2.94Å; N1633-E1637 VanDerWaalsContact O-N 3.07Å |
| 1634 | K | 56.2 | Low | 49 | Very low | 173 Ų | 173 | 116.6 Ų | 116.6 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.5 | -35.7 | 170.5 | -79.6 | -175.5 | 173.1 | -179.8 | 0 | 112.5 | Q1630 S1631 R1636 E1637 G1638 | Q1630-K1634 PolarHBondContact O-N 2.77Å; S1631-K1634 PolarHBondContact O-N 3.28Å; K1634-R1636 VanDerWaalsContact C-N 3.32Å; K1634-E1637 PolarHBondContact O-N 2.03Å; K1634-G1638 PolarHBondContact O-N 3.22Å |
| 1635 | L | 48.4 | Very low | 50 | Low | 115 Ų | 115 | 116.5 Ų | 116.5 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67 | -34.6 | 175.6 | -163.1 | 70.4 | 0 | 0 | 0 | 111.6 | S1631 L1632 N1633 G1638 L1639 | S1631-L1635 WeakPolarHBondContact O-CB 3.42Å; S1631-L1635 PolarHBondContact O-N 2.89Å; L1632-L1635 PolarHBondContact O-N 3Å; N1633-L1635 VanDerWaalsContact C-N 3.31Å; N1633-L1635 PolarHBondContact O-N 3.12Å; L1635-G1638 PolarHBondContact O-N 3.29Å; L1635-L1639 PolarHBondContact O-N 3.07Å |
| 1636 | R | 55.5 | Low | 51 | Low | 187 Ų | 187 | 117 Ų | 117 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.3 | -37.2 | 175.5 | -159.2 | 175.6 | -165.7 | 162.1 | 5.7 | 113.1 | L1632 N1633 K1634 K1640 | L1632-R1636 PolarHBondContact O-N 3.03Å; L1632-R1636 VanDerWaalsContact O-N 3.1Å; N1633-R1636 PolarHBondContact O-N 3.42Å; K1634-R1636 VanDerWaalsContact C-N 3.32Å; R1636-K1640 PolarHBondContact O-N 3.24Å |
| 1637 | E | 56.8 | Low | 51.8 | Low | 147 Ų | 147 | 111.8 Ų | 111.8 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67 | -41.2 | 168.6 | -72.2 | -113.9 | 122.2 | 0 | 0 | 111.7 | N1633 K1634 L1639 K1640 K1641 | N1633-E1637 PolarHBondContact O-N 2.94Å; N1633-E1637 VanDerWaalsContact O-N 3.07Å; K1634-E1637 PolarHBondContact O-N 2.03Å; E1637-L1639 VanDerWaalsContact C-N 3.32Å; E1637-L1639 PolarHBondContact O-N 3.29Å; E1637-K1640 PolarHBondContact O-N 3.42Å; E1637-K1641 PolarHBondContact O-N 3.41Å; E1637-K1641 VanDerWaalsContact O-N 3.11Å |
| 1638 | G | 50.9 | Low | 52.6 | Low | 30 Ų | 30 | 112.2 Ų | 112.2 | 31% | 0.309 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | K1634 L1635 K1641 V1642 | K1634-G1638 PolarHBondContact O-N 3.22Å; L1635-G1638 PolarHBondContact O-N 3.29Å; G1638-K1641 WeakPolarHBondContact O-CB 3.04Å; G1638-K1641 PolarHBondContact O-N 2.74Å; G1638-K1641 VanDerWaalsContact O-N 3.11Å; G1638-V1642 WeakPolarHBondContact O-CG2 3.12Å; G1638-V1642 PolarHBondContact O-N 2.94Å |
| 1639 | L | 52.6 | Low | 53.5 | Low | 117 Ų | 117 | 113.6 Ų | 113.6 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61 | -44.4 | 175.6 | -104 | 150.2 | 0 | 0 | 0 | 112.8 | L1635 E1637 K1641 V1642 E1643 | L1635-L1639 PolarHBondContact O-N 3.07Å; E1637-L1639 VanDerWaalsContact C-N 3.32Å; E1637-L1639 PolarHBondContact O-N 3.29Å; L1639-K1641 PolarHBondContact O-N 3.41Å; L1639-V1642 PolarHBondContact O-N 3.25Å; L1639-E1643 WeakPolarHBondContact O-CB 3.38Å; L1639-E1643 PolarHBondContact O-N 2.85Å |
| 1640 | K | 55.6 | Low | 54.4 | Low | 144 Ų | 144 | 110.8 Ų | 110.8 | 63% | 0.626 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.3 | -33.4 | 172.1 | -81.2 | -171.7 | 168.4 | -169.5 | 0 | 112.9 | R1636 E1637 E1643 V1644 | R1636-K1640 PolarHBondContact O-N 3.24Å; E1637-K1640 PolarHBondContact O-N 3.42Å; K1640-E1643 WeakPolarHBondContact O-CB 3.47Å; K1640-V1644 PolarHBondContact O-N 3.36Å |
| 1641 | K | 56.4 | Low | 54.8 | Low | 136 Ų | 136 | 107.8 Ų | 107.8 | 59% | 0.591 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.1 | -43.2 | 178.2 | -157.2 | -174 | 177.1 | -155.6 | 0 | 111.6 | E1637 G1638 L1639 E1643 V1644 E1645 | E1637-K1641 PolarHBondContact O-N 3.41Å; E1637-K1641 VanDerWaalsContact O-N 3.11Å; G1638-K1641 WeakPolarHBondContact O-CB 3.04Å; G1638-K1641 PolarHBondContact O-N 2.74Å; G1638-K1641 VanDerWaalsContact O-N 3.11Å; L1639-K1641 PolarHBondContact O-N 3.41Å; K1641-E1643 VanDerWaalsContact C-N 3.28Å; K1641-E1643 PolarHBondContact O-N 2.94Å; K1641-V1644 PolarHBondContact O-N 2.6Å; K1641-E1645 VanDerWaalsContact CE-OE1 3.27Å; K1641-E1645 WeakPolarHBondContact CE-OE1 3.04Å; K1641-E1645 IonicContact NZ-OE1 3.54Å; K1641-E1645 WeakPolarHBondContact O-CB 3.18Å; K1641-E1645 WeakPolarHBondContact O-CG 3.34Å; K1641-E1645 PolarHBondContact O-N 3.35Å |
| 1642 | V | 52.4 | Low | 55.5 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -33.9 | 173.7 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | G1638 L1639 E1645 Y1646 | G1638-V1642 WeakPolarHBondContact O-CG2 3.12Å; G1638-V1642 PolarHBondContact O-N 2.94Å; L1639-V1642 PolarHBondContact O-N 3.25Å; V1642-E1645 PolarHBondContact O-N 2.03Å; V1642-Y1646 WeakPolarHBondContact O-CB 3.4Å; V1642-Y1646 PolarHBondContact O-N 3.49Å |
| 1643 | E | 52.9 | Low | 56 | Low | 105 Ų | 105 | 106.8 Ų | 106.8 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.1 | -167.6 | 169.7 | -142.9 | 0 | 0 | 112.5 | L1639 K1640 K1641 | L1639-E1643 WeakPolarHBondContact O-CB 3.38Å; L1639-E1643 PolarHBondContact O-N 2.85Å; K1640-E1643 WeakPolarHBondContact O-CB 3.47Å; K1641-E1643 VanDerWaalsContact C-N 3.28Å; K1641-E1643 PolarHBondContact O-N 2.94Å |
| 1644 | V | 54.5 | Low | 56.3 | Low | 84 Ų | 84 | 107.9 Ų | 107.9 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.6 | -44.9 | 173 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | K1640 K1641 Y1646 L1647 Q1648 | K1640-V1644 PolarHBondContact O-N 3.36Å; K1641-V1644 PolarHBondContact O-N 2.6Å; V1644-Y1646 VanDerWaalsContact C-N 3.28Å; V1644-Y1646 PolarHBondContact O-N 3.42Å; V1644-L1647 PolarHBondContact O-N 2.78Å; V1644-Q1648 WeakPolarHBondContact O-CB 3.38Å; V1644-Q1648 PolarHBondContact O-N 3.05Å |
| 1645 | E | 57.7 | Low | 56.6 | Low | 82 Ų | 82 | 107 Ų | 107 | 38% | 0.383 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.8 | -37.1 | 178.8 | -75.7 | 171.1 | -174.3 | 0 | 0 | 111.6 | K1641 V1642 L1647 Q1648 I1649 | K1641-E1645 VanDerWaalsContact CE-OE1 3.27Å; K1641-E1645 WeakPolarHBondContact CE-OE1 3.04Å; K1641-E1645 IonicContact NZ-OE1 3.54Å; K1641-E1645 WeakPolarHBondContact O-CB 3.18Å; K1641-E1645 WeakPolarHBondContact O-CG 3.34Å; K1641-E1645 PolarHBondContact O-N 3.35Å; V1642-E1645 PolarHBondContact O-N 2.03Å; E1645-L1647 PolarHBondContact O-N 3.16Å; E1645-Q1648 PolarHBondContact O-N 2.84Å; E1645-I1649 VanDerWaalsContact O-CB 3.27Å; E1645-I1649 WeakPolarHBondContact O-CB 3.37Å; E1645-I1649 WeakPolarHBondContact O-CD1 3.03Å; E1645-I1649 WeakPolarHBondContact O-CG1 3.3Å; E1645-I1649 PolarHBondContact O-N 3.18Å |
| 1646 | Y | 58.2 | Low | 56.9 | Low | 181 Ų | 181 | 104.2 Ų | 104.2 | 71% | 0.71 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 177.8 | -176.1 | -98.5 | 0 | 0 | 0 | 113.3 | V1642 V1644 G1650 | V1642-Y1646 WeakPolarHBondContact O-CB 3.4Å; V1642-Y1646 PolarHBondContact O-N 3.49Å; V1644-Y1646 VanDerWaalsContact C-N 3.28Å; V1644-Y1646 PolarHBondContact O-N 3.42Å; Y1646-G1650 PolarHBondContact O-N 2.91Å; Y1646-G1650 VanDerWaalsContact O-N 3.15Å |
| 1647 | L | 54.5 | Low | 57.1 | Low | 56 Ų | 56 | 99.9 Ų | 99.9 | 29% | 0.293 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.9 | -32.8 | 178.2 | -63.6 | 169.6 | 0 | 0 | 0 | 111.8 | F1427 A1431 V1644 E1645 G1650 K1651 | F1427-L1647 HydrophobicContact CE1-CB 4.32Å; F1427-L1647 HydrophobicContact CE1-CD1 4.4Å; F1427-L1647 HydrophobicContact CE2-CB 3.98Å; F1427-L1647 HydrophobicContact CZ-CB 3.44Å; F1427-L1647 VanDerWaalsContact CZ-CB 3.44Å; F1427-L1647 HydrophobicContact CZ-CD1 4.2Å; F1427-L1647 HydrophobicContact CZ-CG 4.41Å; A1431-L1647 HydrophobicContact CB-CD1 3.81Å; V1644-L1647 PolarHBondContact O-N 2.78Å; E1645-L1647 PolarHBondContact O-N 3.16Å; L1647-G1650 PolarHBondContact O-N 3.12Å; L1647-K1651 PolarHBondContact O-N 2.76Å |
| 1648 | Q | 58.4 | Low | 57.4 | Low | 108 Ų | 108 | 98.7 Ų | 98.7 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71 | -40.5 | 176.8 | -161.1 | 159.1 | -5.5 | 0 | 0 | 111.5 | V1644 E1645 G1650 K1651 D1652 | V1644-Q1648 WeakPolarHBondContact O-CB 3.38Å; V1644-Q1648 PolarHBondContact O-N 3.05Å; E1645-Q1648 PolarHBondContact O-N 2.84Å; Q1648-G1650 PolarHBondContact O-N 2.85Å; Q1648-K1651 PolarHBondContact O-N 3.47Å; Q1648-D1652 WeakPolarHBondContact O-CB 3.15Å; Q1648-D1652 PolarHBondContact O-N 3.41Å |
| 1649 | I | 59.7 | Low | 57.8 | Low | 104 Ų | 104 | 101.5 Ų | 101.5 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55.6 | -38.5 | 166.5 | -72.8 | 162.5 | 0 | 0 | 0 | 110.5 | E1645 D1652 V1653 | E1645-I1649 VanDerWaalsContact O-CB 3.27Å; E1645-I1649 WeakPolarHBondContact O-CB 3.37Å; E1645-I1649 WeakPolarHBondContact O-CD1 3.03Å; E1645-I1649 WeakPolarHBondContact O-CG1 3.3Å; E1645-I1649 PolarHBondContact O-N 3.18Å; I1649-D1652 PolarHBondContact O-N 2.8Å; I1649-V1653 HydrophobicContact CG2-CG2 4.17Å; I1649-V1653 VanDerWaalsContact O-CB 3.23Å; I1649-V1653 WeakPolarHBondContact O-CB 3.49Å; I1649-V1653 WeakPolarHBondContact O-CG2 3.44Å; I1649-V1653 PolarHBondContact O-N 3.31Å |
| 1650 | G | 61 | Low | 57.8 | Low | 41 Ų | 41 | 98.5 Ų | 98.5 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.3 | -51.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1646 L1647 Q1648 V1653 E1654 | Y1646-G1650 PolarHBondContact O-N 2.91Å; Y1646-G1650 VanDerWaalsContact O-N 3.15Å; L1647-G1650 PolarHBondContact O-N 3.12Å; Q1648-G1650 PolarHBondContact O-N 2.85Å; G1650-V1653 PolarHBondContact O-N 2.83Å; G1650-E1654 PolarHBondContact O-N 3.05Å; G1650-E1654 VanDerWaalsContact O-N 3.13Å |
| 1651 | K | 59.6 | Low | 58.2 | Low | 86 Ų | 86 | 94.6 Ų | 94.6 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.2 | -33.5 | 177.7 | -88.7 | -176.9 | 174 | 173.6 | 0 | 113.3 | F1427 L1647 Q1648 E1654 R1655 | F1427-K1651 HydrophobicContact CD2-CD 4.31Å; F1427-K1651 HydrophobicContact CE2-CD 4.18Å; L1647-K1651 PolarHBondContact O-N 2.76Å; Q1648-K1651 PolarHBondContact O-N 3.47Å; K1651-E1654 PolarHBondContact O-N 3.44Å; K1651-R1655 PolarHBondContact O-N 2.92Å |
| 1652 | D | 60.4 | Low | 58.3 | Low | 70 Ų | 70 | 92.4 Ų | 92.4 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75 | -28.5 | 175.8 | -74 | -27.4 | 0 | 0 | 0 | 111.8 | Q1648 I1649 R1655 A1656 | Q1648-D1652 WeakPolarHBondContact O-CB 3.15Å; Q1648-D1652 PolarHBondContact O-N 3.41Å; I1649-D1652 PolarHBondContact O-N 2.8Å; D1652-R1655 IonicContact OD1-CZ 3Å; D1652-R1655 IonicContact OD1-NH1 3.23Å; D1652-R1655 PolarHBondContact OD1-NH1 3.46Å; D1652-R1655 IonicContact OD1-NH2 2.91Å; D1652-A1656 WeakPolarHBondContact O-CA 3.06Å; D1652-A1656 WeakPolarHBondContact O-CB 3.39Å; D1652-A1656 PolarHBondContact O-N 2.87Å |
| 1653 | V | 60.9 | Low | 58.4 | Low | 79 Ų | 79 | 91.2 Ų | 91.2 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 166.3 | 162.9 | 0 | 0 | 0 | 0 | 111 | I1649 G1650 A1656 L1657 | I1649-V1653 HydrophobicContact CG2-CG2 4.17Å; I1649-V1653 VanDerWaalsContact O-CB 3.23Å; I1649-V1653 WeakPolarHBondContact O-CB 3.49Å; I1649-V1653 WeakPolarHBondContact O-CG2 3.44Å; I1649-V1653 PolarHBondContact O-N 3.31Å; G1650-V1653 PolarHBondContact O-N 2.83Å; V1653-A1656 CarbonylContact O-C 3.39Å; V1653-A1656 PolarHBondContact O-N 3.42Å; V1653-L1657 HydrophobicContact CG1-CD1 4.04Å; V1653-L1657 WeakPolarHBondContact O-CB 3.21Å; V1653-L1657 VanDerWaalsContact O-CG 3.24Å; V1653-L1657 WeakPolarHBondContact O-CG 3.32Å; V1653-L1657 PolarHBondContact O-N 2.92Å |
| 1654 | E | 59.9 | Low | 58.7 | Low | 132 Ų | 132 | 92.2 Ų | 92.2 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.6 | -42.8 | 175.3 | -169.9 | 176.9 | -146.4 | 0 | 0 | 112.4 | G1650 K1651 L1657 L1658 | G1650-E1654 PolarHBondContact O-N 3.05Å; G1650-E1654 VanDerWaalsContact O-N 3.13Å; K1651-E1654 PolarHBondContact O-N 3.44Å; E1654-L1657 WeakPolarHBondContact O-CB 3.22Å; E1654-L1657 PolarHBondContact O-N 3.27Å; E1654-L1658 PolarHBondContact O-N 3.13Å |
| 1655 | R | 61.4 | Low | 59 | Low | 155 Ų | 155 | 94.4 Ų | 94.4 | 59% | 0.585 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.9 | -37.4 | 175.2 | -155.7 | -176 | -61.5 | 132.2 | 6.4 | 111.7 | K1651 D1652 L1657 L1658 V1659 | K1651-R1655 PolarHBondContact O-N 2.92Å; D1652-R1655 IonicContact OD1-CZ 3Å; D1652-R1655 IonicContact OD1-NH1 3.23Å; D1652-R1655 PolarHBondContact OD1-NH1 3.46Å; D1652-R1655 IonicContact OD1-NH2 2.91Å; R1655-L1657 VanDerWaalsContact C-N 3.35Å; R1655-L1658 WeakPolarHBondContact O-CB 3.19Å; R1655-L1658 PolarHBondContact O-N 3.09Å; R1655-V1659 PolarHBondContact O-N 2.93Å; R1655-V1659 VanDerWaalsContact O-N 3.1Å |
| 1656 | A | 55.9 | Low | 59 | Low | 57 Ų | 57 | 98 Ų | 98 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -33.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1652 V1653 S1660 | D1652-A1656 WeakPolarHBondContact O-CA 3.06Å; D1652-A1656 WeakPolarHBondContact O-CB 3.39Å; D1652-A1656 PolarHBondContact O-N 2.87Å; V1653-A1656 CarbonylContact O-C 3.39Å; V1653-A1656 PolarHBondContact O-N 3.42Å; A1656-S1660 WeakPolarHBondContact O-CA 3.48Å; A1656-S1660 WeakPolarHBondContact O-CB 3.36Å; A1656-S1660 PolarHBondContact O-N 2.9Å |
| 1657 | L | 60 | Low | 58.7 | Low | 95 Ų | 95 | 94.2 Ų | 94.2 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 171.4 | -83.8 | 162.3 | 0 | 0 | 0 | 111.6 | V1653 E1654 R1655 N1661 | V1653-L1657 HydrophobicContact CG1-CD1 4.04Å; V1653-L1657 WeakPolarHBondContact O-CB 3.21Å; V1653-L1657 VanDerWaalsContact O-CG 3.24Å; V1653-L1657 WeakPolarHBondContact O-CG 3.32Å; V1653-L1657 PolarHBondContact O-N 2.92Å; E1654-L1657 WeakPolarHBondContact O-CB 3.22Å; E1654-L1657 PolarHBondContact O-N 3.27Å; R1655-L1657 VanDerWaalsContact C-N 3.35Å; L1657-N1661 WeakPolarHBondContact O-CB 3.45Å; L1657-N1661 VanDerWaalsContact O-CG 3.22Å; L1657-N1661 PolarHBondContact O-N 3.22Å; L1657-N1661 PolarHBondContact O-ND2 2.83Å; L1657-N1661 VanDerWaalsContact O-ND2 3.15Å |
| 1658 | L | 61.5 | Low | 59.1 | Low | 122 Ų | 122 | 95.7 Ų | 95.7 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -49.6 | 174.9 | -158.5 | 90.7 | 0 | 0 | 0 | 111.9 | E1654 R1655 S1660 N1661 T1662 | E1654-L1658 PolarHBondContact O-N 3.13Å; R1655-L1658 WeakPolarHBondContact O-CB 3.19Å; R1655-L1658 PolarHBondContact O-N 3.09Å; L1658-S1660 VanDerWaalsContact C-N 3.33Å; L1658-N1661 WeakPolarHBondContact O-CB 3.43Å; L1658-N1661 PolarHBondContact O-N 2.88Å; L1658-T1662 PolarHBondContact O-N 3.29Å; L1658-T1662 PolarHBondContact O-OG1 3.41Å; L1658-T1662 VanDerWaalsContact O-OG1 3.13Å |
| 1659 | V | 60.1 | Low | 59.1 | Low | 89 Ų | 89 | 97.1 Ų | 97.1 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.7 | -33.2 | 177.3 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | R1655 T1662 S1663 | R1655-V1659 PolarHBondContact O-N 2.93Å; R1655-V1659 VanDerWaalsContact O-N 3.1Å; V1659-T1662 PolarHBondContact O-N 3.44Å; V1659-S1663 WeakPolarHBondContact O-CB 3.29Å; V1659-S1663 PolarHBondContact O-N 3.01Å; V1659-S1663 PolarHBondContact O-OG 3.03Å; V1659-S1663 VanDerWaalsContact O-OG 3.08Å |
| 1660 | S | 53.8 | Low | 58.8 | Low | 55 Ų | 55 | 96.6 Ų | 96.6 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 170.7 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | A1656 L1658 T1662 S1663 R1664 | A1656-S1660 WeakPolarHBondContact O-CA 3.48Å; A1656-S1660 WeakPolarHBondContact O-CB 3.36Å; A1656-S1660 PolarHBondContact O-N 2.9Å; L1658-S1660 VanDerWaalsContact C-N 3.33Å; S1660-T1662 PolarHBondContact O-N 3.4Å; S1660-S1663 CarbonylContact O-C 3.54Å; S1660-S1663 PolarHBondContact O-N 2.87Å; S1660-R1664 WeakPolarHBondContact O-CA 3.06Å; S1660-R1664 WeakPolarHBondContact O-CB 3.42Å; S1660-R1664 PolarHBondContact O-N 3.05Å |
| 1661 | N | 63 | Low | 58.7 | Low | 62 Ų | 62 | 97.1 Ų | 97.1 | 33% | 0.332 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 175.7 | -78.7 | -36.2 | 0 | 0 | 0 | 112.9 | L1657 L1658 R1664 Q1665 | L1657-N1661 WeakPolarHBondContact O-CB 3.45Å; L1657-N1661 VanDerWaalsContact O-CG 3.22Å; L1657-N1661 PolarHBondContact O-N 3.22Å; L1657-N1661 PolarHBondContact O-ND2 2.83Å; L1657-N1661 VanDerWaalsContact O-ND2 3.15Å; L1658-N1661 WeakPolarHBondContact O-CB 3.43Å; L1658-N1661 PolarHBondContact O-N 2.88Å; N1661-R1664 WeakPolarHBondContact O-CB 3.22Å; N1661-R1664 PolarHBondContact O-N 2.8Å; N1661-R1664 PolarHBondContact OD1-NE 2.79Å; N1661-R1664 PolarHBondContact OD1-NH1 2.92Å; N1661-R1664 PolarHBondContact OD1-NH2 3.19Å; N1661-Q1665 PolarHBondContact O-N 3.14Å; N1661-Q1665 VanDerWaalsContact O-N 3.16Å |
| 1662 | T | 59.4 | Low | 58.9 | Low | 90 Ų | 90 | 98.9 Ų | 98.9 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.9 | -39 | 176.2 | -27.1 | 0 | 0 | 0 | 0 | 111.9 | L1658 V1659 S1660 R1664 Q1665 | L1658-T1662 PolarHBondContact O-N 3.29Å; L1658-T1662 PolarHBondContact O-OG1 3.41Å; L1658-T1662 VanDerWaalsContact O-OG1 3.13Å; V1659-T1662 PolarHBondContact O-N 3.44Å; S1660-T1662 PolarHBondContact O-N 3.4Å; T1662-R1664 VanDerWaalsContact C-N 3.3Å; T1662-Q1665 PolarHBondContact O-N 2.03Å |
| 1663 | S | 53.3 | Low | 58.9 | Low | 63 Ų | 63 | 105.2 Ų | 105.2 | 44% | 0.441 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 170.9 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | V1659 S1660 Q1665 K1666 M1667 | V1659-S1663 WeakPolarHBondContact O-CB 3.29Å; V1659-S1663 PolarHBondContact O-N 3.01Å; V1659-S1663 PolarHBondContact O-OG 3.03Å; V1659-S1663 VanDerWaalsContact O-OG 3.08Å; S1660-S1663 CarbonylContact O-C 3.54Å; S1660-S1663 PolarHBondContact O-N 2.87Å; S1663-Q1665 VanDerWaalsContact C-N 3.32Å; S1663-Q1665 PolarHBondContact O-N 3.48Å; S1663-K1666 PolarHBondContact O-N 2.6Å; S1663-M1667 WeakPolarHBondContact O-CB 3.42Å; S1663-M1667 VanDerWaalsContact O-CG 3.31Å; S1663-M1667 WeakPolarHBondContact O-CG 3.27Å; S1663-M1667 PolarHBondContact O-N 2.87Å |
| 1664 | R | 58.6 | Low | 58.8 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.6 | -28.9 | 178.4 | -173.3 | 177.6 | 74.1 | 174.6 | 3.1 | 111.7 | S1660 N1661 T1662 M1667 Q1668 | S1660-R1664 WeakPolarHBondContact O-CA 3.06Å; S1660-R1664 WeakPolarHBondContact O-CB 3.42Å; S1660-R1664 PolarHBondContact O-N 3.05Å; N1661-R1664 WeakPolarHBondContact O-CB 3.22Å; N1661-R1664 PolarHBondContact O-N 2.8Å; N1661-R1664 PolarHBondContact OD1-NE 2.79Å; N1661-R1664 PolarHBondContact OD1-NH1 2.92Å; N1661-R1664 PolarHBondContact OD1-NH2 3.19Å; T1662-R1664 VanDerWaalsContact C-N 3.3Å; R1664-M1667 HydrophobicContact CB-CE 4.43Å; R1664-Q1668 WeakPolarHBondContact O-CB 3.32Å; R1664-Q1668 VanDerWaalsContact O-CD 3.32Å; R1664-Q1668 WeakPolarHBondContact O-CG 3.02Å; R1664-Q1668 PolarHBondContact O-N 3.31Å; R1664-Q1668 PolarHBondContact O-OE1 3.46Å |
| 1665 | Q | 62.4 | Low | 59 | Low | 131 Ų | 131 | 104.8 Ų | 104.8 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.1 | -43.9 | 171.2 | -74.9 | -178.2 | -31.2 | 0 | 0 | 112.7 | N1661 T1662 S1663 Q1668 E1669 | N1661-Q1665 PolarHBondContact O-N 3.14Å; N1661-Q1665 VanDerWaalsContact O-N 3.16Å; T1662-Q1665 PolarHBondContact O-N 2.03Å; S1663-Q1665 VanDerWaalsContact C-N 3.32Å; S1663-Q1665 PolarHBondContact O-N 3.48Å; Q1665-Q1668 WeakPolarHBondContact O-CB 3.32Å; Q1665-Q1668 PolarHBondContact O-N 3.32Å; Q1665-E1669 PolarHBondContact O-N 3.33Å |
| 1666 | K | 57.2 | Low | 59.1 | Low | 158 Ų | 158 | 101.4 Ų | 101.4 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.5 | -31.6 | 174.8 | -85.8 | 178.3 | 173.4 | 173.8 | 0 | 113.3 | S1663 T1670 | S1663-K1666 PolarHBondContact O-N 2.6Å; K1666-T1670 WeakPolarHBondContact O-CB 3.31Å; K1666-T1670 PolarHBondContact O-N 2.9Å; K1666-T1670 PolarHBondContact O-OG1 2.85Å |
| 1667 | M | 52.5 | Low | 59.3 | Low | 100 Ų | 100 | 101.7 Ų | 101.7 | 49% | 0.493 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -53.4 | 163.6 | -73.1 | -164.2 | -49.8 | 0 | 0 | 108.3 | S1663 R1664 E1669 T1670 E1671 | S1663-M1667 WeakPolarHBondContact O-CB 3.42Å; S1663-M1667 VanDerWaalsContact O-CG 3.31Å; S1663-M1667 WeakPolarHBondContact O-CG 3.27Å; S1663-M1667 PolarHBondContact O-N 2.87Å; R1664-M1667 HydrophobicContact CB-CE 4.43Å; M1667-E1669 VanDerWaalsContact C-N 3.34Å; M1667-E1669 PolarHBondContact O-N 2.02Å; M1667-E1669 VanDerWaalsContact O-N 3.15Å; M1667-T1670 CarbonylContact O-C 3.52Å; M1667-T1670 WeakPolarHBondContact O-CA 3.42Å; M1667-T1670 WeakPolarHBondContact O-CB 3.47Å; M1667-T1670 PolarHBondContact O-N 2.82Å; M1667-E1671 WeakPolarHBondContact O-CA 3.05Å; M1667-E1671 WeakPolarHBondContact O-CB 3.47Å; M1667-E1671 PolarHBondContact O-N 3.09Å |
| 1668 | Q | 62 | Low | 59.2 | Low | 87 Ų | 87 | 98.6 Ų | 98.6 | 41% | 0.407 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -48.6 | -44 | -179.2 | -84.1 | 162.6 | -13 | 0 | 0 | 114.5 | R1664 Q1665 E1671 E1672 | R1664-Q1668 WeakPolarHBondContact O-CB 3.32Å; R1664-Q1668 VanDerWaalsContact O-CD 3.32Å; R1664-Q1668 WeakPolarHBondContact O-CG 3.02Å; R1664-Q1668 PolarHBondContact O-N 3.31Å; R1664-Q1668 PolarHBondContact O-OE1 3.46Å; Q1665-Q1668 WeakPolarHBondContact O-CB 3.32Å; Q1665-Q1668 PolarHBondContact O-N 3.32Å; Q1668-E1671 CarbonylContact O-C 3.57Å; Q1668-E1671 PolarHBondContact O-N 2.88Å; Q1668-E1672 WeakPolarHBondContact O-CG 3.35Å; Q1668-E1672 PolarHBondContact O-N 2.83Å |
| 1669 | E | 58.8 | Low | 59.4 | Low | 138 Ų | 138 | 98.6 Ų | 98.6 | 65% | 0.645 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.6 | -44.8 | 172.9 | -75.5 | -173.6 | 124 | 0 | 0 | 113.3 | Q1665 M1667 E1671 E1672 R1673 | Q1665-E1669 PolarHBondContact O-N 3.33Å; M1667-E1669 VanDerWaalsContact C-N 3.34Å; M1667-E1669 PolarHBondContact O-N 2.02Å; M1667-E1669 VanDerWaalsContact O-N 3.15Å; E1669-E1671 PolarHBondContact O-N 3.23Å; E1669-E1672 PolarHBondContact O-N 3.13Å; E1669-R1673 PolarHBondContact O-N 2.03Å |
| 1670 | T | 53.7 | Low | 59.5 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 58% | 0.577 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.2 | -29.9 | 176.7 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | K1666 M1667 R1673 R1674 | K1666-T1670 WeakPolarHBondContact O-CB 3.31Å; K1666-T1670 PolarHBondContact O-N 2.9Å; K1666-T1670 PolarHBondContact O-OG1 2.85Å; M1667-T1670 CarbonylContact O-C 3.52Å; M1667-T1670 WeakPolarHBondContact O-CA 3.42Å; M1667-T1670 WeakPolarHBondContact O-CB 3.47Å; M1667-T1670 PolarHBondContact O-N 2.82Å; T1670-R1673 PolarHBondContact O-N 3.04Å; T1670-R1674 WeakPolarHBondContact O-CB 3.44Å; T1670-R1674 PolarHBondContact O-N 3.44Å |
| 1671 | E | 57.7 | Low | 59.7 | Low | 51 Ų | 51 | 104.1 Ų | 104.1 | 24% | 0.238 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -85.7 | -16.6 | -177.3 | -176.1 | 155.9 | -131 | 0 | 0 | 111.6 | M1667 Q1668 E1669 R1674 K1675 | M1667-E1671 WeakPolarHBondContact O-CA 3.05Å; M1667-E1671 WeakPolarHBondContact O-CB 3.47Å; M1667-E1671 PolarHBondContact O-N 3.09Å; Q1668-E1671 CarbonylContact O-C 3.57Å; Q1668-E1671 PolarHBondContact O-N 2.88Å; E1669-E1671 PolarHBondContact O-N 3.23Å; E1671-R1674 IonicContact OE1-CZ 3.05Å; E1671-R1674 IonicContact OE1-NE 3.84Å; E1671-R1674 IonicContact OE1-NH2 3.33Å; E1671-R1674 PolarHBondContact OE1-NH2 3.09Å; E1671-K1675 WeakPolarHBondContact O-CA 3.36Å; E1671-K1675 WeakPolarHBondContact O-CB 3.36Å; E1671-K1675 WeakPolarHBondContact O-CD 3.36Å; E1671-K1675 WeakPolarHBondContact O-CG 3.48Å; E1671-K1675 PolarHBondContact O-N 2.99Å |
| 1672 | E | 64.3 | Low | 59.5 | Low | 123 Ų | 123 | 104.5 Ų | 104.5 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.7 | -44.1 | 162.5 | -83.4 | -177 | 168.8 | 0 | 0 | 111.2 | Q1668 E1669 R1674 K1675 T1676 | Q1668-E1672 WeakPolarHBondContact O-CG 3.35Å; Q1668-E1672 PolarHBondContact O-N 2.83Å; E1669-E1672 PolarHBondContact O-N 3.13Å; E1672-R1674 VanDerWaalsContact C-N 3.35Å; E1672-K1675 CarbonylContact O-C 3.54Å; E1672-K1675 WeakPolarHBondContact O-CA 3.12Å; E1672-K1675 WeakPolarHBondContact O-CB 3.43Å; E1672-K1675 PolarHBondContact O-N 3.12Å; E1672-K1675 VanDerWaalsContact O-N 3.1Å; E1672-T1676 PolarHBondContact O-N 3.12Å; E1672-T1676 PolarHBondContact O-OG1 3.31Å; E1672-T1676 VanDerWaalsContact O-OG1 3.11Å |
| 1673 | R | 61.1 | Low | 59.6 | Low | 204 Ų | 204 | 105.6 Ų | 105.6 | 77% | 0.77 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.5 | -35.2 | 172.3 | -67 | -177.7 | 178.4 | 177.6 | 1 | 112 | E1669 T1670 K1675 L1677 | E1669-R1673 PolarHBondContact O-N 2.03Å; T1670-R1673 PolarHBondContact O-N 3.04Å; R1673-K1675 VanDerWaalsContact C-N 3.33Å; R1673-L1677 PolarHBondContact O-N 3.33Å |
| 1674 | R | 58.8 | Low | 59.7 | Low | 111 Ų | 111 | 102.8 Ų | 102.8 | 42% | 0.419 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 166.6 | -155.4 | 179.4 | 71.4 | 71.4 | 6.3 | 110.3 | T1670 E1671 E1672 L1677 E1678 | T1670-R1674 WeakPolarHBondContact O-CB 3.44Å; T1670-R1674 PolarHBondContact O-N 3.44Å; E1671-R1674 IonicContact OE1-CZ 3.05Å; E1671-R1674 IonicContact OE1-NE 3.84Å; E1671-R1674 IonicContact OE1-NH2 3.33Å; E1671-R1674 PolarHBondContact OE1-NH2 3.09Å; E1672-R1674 VanDerWaalsContact C-N 3.35Å; R1674-L1677 PolarHBondContact O-N 2.91Å; R1674-E1678 HydrophobicContact CG-CG 4.43Å; R1674-E1678 IonicContact CZ-OE1 2.83Å; R1674-E1678 VanDerWaalsContact CZ-OE1 3.29Å; R1674-E1678 IonicContact CZ-OE2 2.7Å; R1674-E1678 IonicContact NH1-OE1 3.31Å; R1674-E1678 PolarHBondContact NH1-OE1 2.78Å; R1674-E1678 IonicContact NH1-OE2 2.61Å; R1674-E1678 IonicContact NH2-OE1 3.48Å; R1674-E1678 PolarHBondContact NH2-OE1 2.86Å; R1674-E1678 IonicContact NH2-OE2 2.73Å; R1674-E1678 WeakPolarHBondContact O-CA 3.37Å; R1674-E1678 WeakPolarHBondContact O-CB 3.49Å; R1674-E1678 VanDerWaalsContact O-CG 3.24Å; R1674-E1678 WeakPolarHBondContact O-CG 3.38Å; R1674-E1678 PolarHBondContact O-N 2.87Å |
| 1675 | K | 62.7 | Low | 59.4 | Low | 90 Ų | 90 | 99.2 Ų | 99.2 | 39% | 0.391 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 177.8 | -88.6 | 162.5 | -175.4 | 173.3 | 0 | 112.4 | E1671 E1672 R1673 E1678 E1679 | E1671-K1675 WeakPolarHBondContact O-CA 3.36Å; E1671-K1675 WeakPolarHBondContact O-CB 3.36Å; E1671-K1675 WeakPolarHBondContact O-CD 3.36Å; E1671-K1675 WeakPolarHBondContact O-CG 3.48Å; E1671-K1675 PolarHBondContact O-N 2.99Å; E1672-K1675 CarbonylContact O-C 3.54Å; E1672-K1675 WeakPolarHBondContact O-CA 3.12Å; E1672-K1675 WeakPolarHBondContact O-CB 3.43Å; E1672-K1675 PolarHBondContact O-N 3.12Å; E1672-K1675 VanDerWaalsContact O-N 3.1Å; R1673-K1675 VanDerWaalsContact C-N 3.33Å; K1675-E1678 CarbonylContact O-C 3.47Å; K1675-E1679 WeakPolarHBondContact O-CA 3.48Å; K1675-E1679 WeakPolarHBondContact O-CB 3.5Å; K1675-E1679 WeakPolarHBondContact O-CG 3.44Å; K1675-E1679 PolarHBondContact O-N 2.77Å |
| 1676 | T | 64.9 | Low | 59.4 | Low | 85 Ų | 85 | 96.4 Ų | 96.4 | 52% | 0.521 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -74.5 | -33.8 | 177.4 | -39.6 | 0 | 0 | 0 | 0 | 112.1 | E1672 E1679 | E1672-T1676 PolarHBondContact O-N 3.12Å; E1672-T1676 PolarHBondContact O-OG1 3.31Å; E1672-T1676 VanDerWaalsContact O-OG1 3.11Å; T1676-E1679 PolarHBondContact O-N 3.46Å |
| 1677 | L | 60.3 | Low | 59.4 | Low | 62 Ų | 62 | 91.7 Ų | 91.7 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73.8 | -41.8 | 172.9 | -166.8 | 64.7 | 0 | 0 | 0 | 110.9 | A1582 R1673 R1674 E1679 R1680 Y1681 | A1582-L1677 HydrophobicContact CB-CD1 3.76Å; A1582-L1677 HydrophobicContact CB-CG 4.49Å; R1673-L1677 PolarHBondContact O-N 3.33Å; R1674-L1677 PolarHBondContact O-N 2.91Å; L1677-E1679 VanDerWaalsContact C-N 3.26Å; L1677-E1679 PolarHBondContact O-N 3.21Å; L1677-R1680 PolarHBondContact O-N 3.48Å; L1677-Y1681 WeakPolarHBondContact O-CA 3.47Å; L1677-Y1681 WeakPolarHBondContact O-CB 3.23Å; L1677-Y1681 PolarHBondContact O-N 2.78Å |
| 1678 | E | 57.8 | Low | 59.6 | Low | 31 Ų | 31 | 88.7 Ų | 88.7 | 15% | 0.145 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.4 | -33 | 164 | -84.6 | -171.8 | 141.1 | 0 | 0 | 110.8 | R1674 K1675 R1680 Y1681 K1682 | R1674-E1678 HydrophobicContact CG-CG 4.43Å; R1674-E1678 IonicContact CZ-OE1 2.83Å; R1674-E1678 VanDerWaalsContact CZ-OE1 3.29Å; R1674-E1678 IonicContact CZ-OE2 2.7Å; R1674-E1678 IonicContact NH1-OE1 3.31Å; R1674-E1678 PolarHBondContact NH1-OE1 2.78Å; R1674-E1678 IonicContact NH1-OE2 2.61Å; R1674-E1678 IonicContact NH2-OE1 3.48Å; R1674-E1678 PolarHBondContact NH2-OE1 2.86Å; R1674-E1678 IonicContact NH2-OE2 2.73Å; R1674-E1678 WeakPolarHBondContact O-CA 3.37Å; R1674-E1678 WeakPolarHBondContact O-CB 3.49Å; R1674-E1678 VanDerWaalsContact O-CG 3.24Å; R1674-E1678 WeakPolarHBondContact O-CG 3.38Å; R1674-E1678 PolarHBondContact O-N 2.87Å; K1675-E1678 CarbonylContact O-C 3.47Å; E1678-R1680 PolarHBondContact O-N 3.04Å; E1678-Y1681 CarbonylContact O-C 3.01Å; E1678-Y1681 PolarHBondContact O-N 2.81Å; E1678-K1682 HydrophobicContact CB-CD 3.96Å; E1678-K1682 HydrophobicContact CB-CG 4.16Å; E1678-K1682 HydrophobicContact CG-CD 4.45Å; E1678-K1682 WeakPolarHBondContact O-CA 3.42Å; E1678-K1682 WeakPolarHBondContact O-CB 3.39Å; E1678-K1682 WeakPolarHBondContact O-CG 3.49Å; E1678-K1682 PolarHBondContact O-N 2.78Å; E1678-K1682 VanDerWaalsContact OE1-CE 3.25Å; E1678-K1682 WeakPolarHBondContact OE1-CE 3.37Å; E1678-K1682 IonicContact OE1-NZ 3.24Å; E1678-K1682 PolarHBondContact OE1-NZ 3.31Å; E1678-K1682 IonicContact OE2-NZ 3.06Å; E1678-K1682 PolarHBondContact OE2-NZ 3.08Å |
| 1679 | E | 65.9 | Low | 59 | Low | 121 Ų | 121 | 87.5 Ų | 87.5 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.6 | -32.2 | -174.1 | -94.9 | 159.5 | -176.1 | 0 | 0 | 110.4 | K1675 T1676 L1677 K1682 E1683 | K1675-E1679 WeakPolarHBondContact O-CA 3.48Å; K1675-E1679 WeakPolarHBondContact O-CB 3.5Å; K1675-E1679 WeakPolarHBondContact O-CG 3.44Å; K1675-E1679 PolarHBondContact O-N 2.77Å; T1676-E1679 PolarHBondContact O-N 3.46Å; L1677-E1679 VanDerWaalsContact C-N 3.26Å; L1677-E1679 PolarHBondContact O-N 3.21Å; E1679-K1682 CarbonylContact O-C 3.3Å; E1679-E1683 WeakPolarHBondContact O-CA 3.07Å; E1679-E1683 VanDerWaalsContact O-CB 3.27Å; E1679-E1683 WeakPolarHBondContact O-CB 3.05Å; E1679-E1683 PolarHBondContact O-N 2.69Å |
| 1680 | R | 61.1 | Low | 58.9 | Low | 185 Ų | 185 | 86 Ų | 86 | 70% | 0.698 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -92.9 | -33.1 | 173.1 | -71.3 | -175.6 | 173.6 | -176.2 | -1.5 | 113.7 | L1677 E1678 E1683 T1684 | L1677-R1680 PolarHBondContact O-N 3.48Å; E1678-R1680 PolarHBondContact O-N 3.04Å; R1680-E1683 VanDerWaalsContact C-N 3.32Å; R1680-E1683 PolarHBondContact O-N 2.94Å; R1680-E1683 VanDerWaalsContact O-N 3.08Å; R1680-T1684 PolarHBondContact O-N 2.89Å; R1680-T1684 PolarHBondContact O-OG1 3.21Å |
| 1681 | Y | 59.1 | Low | 58.4 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.5 | -57.1 | 168.8 | -161.7 | -90 | 0 | 0 | 0 | 106.9 | V1579 A1582 L1583 L1677 E1678 E1683 T1684 E1685 | V1579-Y1681 HydrophobicContact CB-CD2 4.37Å; V1579-Y1681 HydrophobicContact CB-CE2 4.27Å; V1579-Y1681 HydrophobicContact CG1-CD2 4.44Å; V1579-Y1681 HydrophobicContact CG1-CE2 3.86Å; V1579-Y1681 HydrophobicContact CG2-CD1 4.18Å; V1579-Y1681 HydrophobicContact CG2-CD2 3.5Å; V1579-Y1681 VanDerWaalsContact CG2-CD2 3.5Å; V1579-Y1681 HydrophobicContact CG2-CE1 4.28Å; V1579-Y1681 HydrophobicContact CG2-CE2 3.62Å; V1579-Y1681 HydrophobicContact CG2-CG 3.79Å; A1582-Y1681 HydrophobicContact CB-CD2 4.44Å; L1583-Y1681 HydrophobicContact CD2-CE2 3.77Å; L1583-Y1681 HydrophobicContact CG-CE2 4.05Å; L1677-Y1681 WeakPolarHBondContact O-CA 3.47Å; L1677-Y1681 WeakPolarHBondContact O-CB 3.23Å; L1677-Y1681 PolarHBondContact O-N 2.78Å; E1678-Y1681 CarbonylContact O-C 3.01Å; E1678-Y1681 PolarHBondContact O-N 2.81Å; Y1681-E1683 VanDerWaalsContact C-N 3.29Å; Y1681-E1683 PolarHBondContact O-N 3.4Å; Y1681-T1684 CarbonylContact O-C 3.44Å; Y1681-T1684 VanDerWaalsContact O-C 3.25Å; Y1681-T1684 WeakPolarHBondContact O-CA 3.04Å; Y1681-T1684 WeakPolarHBondContact O-CB 3.07Å; Y1681-T1684 PolarHBondContact O-N 2.79Å; Y1681-T1684 VanDerWaalsContact O-N 3.15Å; Y1681-E1685 HydrophobicContact CD1-CB 4.08Å; Y1681-E1685 HydrophobicContact CD1-CG 4.43Å; Y1681-E1685 WeakPolarHBondContact CD1-OE2 3.43Å; Y1681-E1685 HydrophobicContact CE1-CB 4.42Å; Y1681-E1685 WeakPolarHBondContact CE1-OE1 3.29Å; Y1681-E1685 VanDerWaalsContact O-CA 3.29Å; Y1681-E1685 WeakPolarHBondContact O-CA 3.47Å; Y1681-E1685 WeakPolarHBondContact O-CB 3.47Å; Y1681-E1685 PolarHBondContact O-N 3.44Å |
| 1682 | K | 57 | Low | 58.2 | Low | 70 Ų | 70 | 84.3 Ų | 84.3 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.4 | 8 | 160.9 | -50.9 | 168.1 | 174.4 | 159.2 | 0 | 116.5 | E1678 E1679 E1685 T1686 | E1678-K1682 HydrophobicContact CB-CD 3.96Å; E1678-K1682 HydrophobicContact CB-CG 4.16Å; E1678-K1682 HydrophobicContact CG-CD 4.45Å; E1678-K1682 WeakPolarHBondContact O-CA 3.42Å; E1678-K1682 WeakPolarHBondContact O-CB 3.39Å; E1678-K1682 WeakPolarHBondContact O-CG 3.49Å; E1678-K1682 PolarHBondContact O-N 2.78Å; E1678-K1682 VanDerWaalsContact OE1-CE 3.25Å; E1678-K1682 WeakPolarHBondContact OE1-CE 3.37Å; E1678-K1682 IonicContact OE1-NZ 3.24Å; E1678-K1682 PolarHBondContact OE1-NZ 3.31Å; E1678-K1682 IonicContact OE2-NZ 3.06Å; E1678-K1682 PolarHBondContact OE2-NZ 3.08Å; E1679-K1682 CarbonylContact O-C 3.3Å; K1682-E1685 WeakPolarHBondContact CG-OE2 3.28Å; K1682-T1686 HydrophobicContact CB-CG2 4.37Å; K1682-T1686 WeakPolarHBondContact O-CA 3.26Å; K1682-T1686 WeakPolarHBondContact O-CB 3.3Å; K1682-T1686 WeakPolarHBondContact O-CG2 3.24Å; K1682-T1686 PolarHBondContact O-N 3.32Å; K1682-T1686 PolarHBondContact O-OG1 3.08Å |
| 1683 | E | 62.8 | Low | 57.6 | Low | 114 Ų | 114 | 78.8 Ų | 78.8 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -88.1 | -49.5 | 157.5 | -163.6 | 163.2 | -156 | 0 | 0 | 105.8 | E1679 R1680 Y1681 E1685 T1686 L1687 | E1679-E1683 WeakPolarHBondContact O-CA 3.07Å; E1679-E1683 VanDerWaalsContact O-CB 3.27Å; E1679-E1683 WeakPolarHBondContact O-CB 3.05Å; E1679-E1683 PolarHBondContact O-N 2.69Å; R1680-E1683 VanDerWaalsContact C-N 3.32Å; R1680-E1683 PolarHBondContact O-N 2.94Å; R1680-E1683 VanDerWaalsContact O-N 3.08Å; Y1681-E1683 VanDerWaalsContact C-N 3.29Å; Y1681-E1683 PolarHBondContact O-N 3.4Å; E1683-E1685 PolarHBondContact O-N 2.95Å; E1683-T1686 PolarHBondContact O-N 2.7Å; E1683-T1686 PolarHBondContact O-OG1 3.24Å; E1683-L1687 WeakPolarHBondContact O-CB 3.38Å; E1683-L1687 PolarHBondContact O-N 3.34Å |
| 1684 | T | 55.9 | Low | 57 | Low | 4 Ų | 4 | 70.1 Ų | 70.1 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.5 | -22 | 169.1 | -47.6 | 0 | 0 | 0 | 0 | 113.5 | A1575 E1578 V1579 R1680 Y1681 L1687 L1688 | A1575-T1684 VanDerWaalsContact C-CG2 3.47Å; A1575-T1684 HydrophobicContact CB-CG2 4.16Å; A1575-T1684 WeakPolarHBondContact CB-O 3.48Å; A1575-T1684 WeakPolarHBondContact O-CG2 3.31Å; E1578-T1684 HydrophobicContact CB-CG2 4.5Å; E1578-T1684 VanDerWaalsContact CB-OG1 3.31Å; E1578-T1684 WeakPolarHBondContact CB-OG1 3.5Å; V1579-T1684 HydrophobicContact CB-CG2 3.48Å; V1579-T1684 VanDerWaalsContact CB-CG2 3.48Å; V1579-T1684 VanDerWaalsContact CG2-CB 3.42Å; V1579-T1684 HydrophobicContact CG2-CG2 3.49Å; V1579-T1684 VanDerWaalsContact CG2-CG2 3.49Å; V1579-T1684 PolarHBondContact N-OG1 2.83Å; R1680-T1684 PolarHBondContact O-N 2.89Å; R1680-T1684 PolarHBondContact O-OG1 3.21Å; Y1681-T1684 CarbonylContact O-C 3.44Å; Y1681-T1684 VanDerWaalsContact O-C 3.25Å; Y1681-T1684 WeakPolarHBondContact O-CA 3.04Å; Y1681-T1684 WeakPolarHBondContact O-CB 3.07Å; Y1681-T1684 PolarHBondContact O-N 2.79Å; Y1681-T1684 VanDerWaalsContact O-N 3.15Å; T1684-L1687 CarbonylContact O-C 3.55Å; T1684-L1688 HydrophobicContact CG2-CD1 4.15Å; T1684-L1688 WeakPolarHBondContact O-CA 3.42Å; T1684-L1688 WeakPolarHBondContact O-CB 3.33Å; T1684-L1688 WeakPolarHBondContact O-CD1 3.14Å; T1684-L1688 VanDerWaalsContact O-CG 3.25Å; T1684-L1688 WeakPolarHBondContact O-CG 3.3Å; T1684-L1688 PolarHBondContact O-N 3.19Å |
| 1685 | E | 52.2 | Low | 56.5 | Low | 50 Ų | 50 | 67.4 Ų | 67.4 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -6.2 | 179.7 | 165.7 | -165.4 | -106.7 | 0 | 0 | 109.7 | Y1681 K1682 E1683 E1689 | Y1681-E1685 HydrophobicContact CD1-CB 4.08Å; Y1681-E1685 HydrophobicContact CD1-CG 4.43Å; Y1681-E1685 WeakPolarHBondContact CD1-OE2 3.43Å; Y1681-E1685 HydrophobicContact CE1-CB 4.42Å; Y1681-E1685 WeakPolarHBondContact CE1-OE1 3.29Å; Y1681-E1685 VanDerWaalsContact O-CA 3.29Å; Y1681-E1685 WeakPolarHBondContact O-CA 3.47Å; Y1681-E1685 WeakPolarHBondContact O-CB 3.47Å; Y1681-E1685 PolarHBondContact O-N 3.44Å; K1682-E1685 WeakPolarHBondContact CG-OE2 3.28Å; E1683-E1685 PolarHBondContact O-N 2.95Å; E1685-E1689 HydrophobicContact CG-CG 3.75Å; E1685-E1689 WeakPolarHBondContact O-CA 3.47Å; E1685-E1689 WeakPolarHBondContact O-CB 3.18Å; E1685-E1689 WeakPolarHBondContact O-CG 2.98Å; E1685-E1689 PolarHBondContact O-N 3.28Å |
| 1686 | T | 60.9 | Low | 55.8 | Low | 72 Ų | 72 | 64.5 Ų | 64.5 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -26.9 | 151.8 | 46.7 | 0 | 0 | 0 | 0 | 110.4 | K1682 E1683 E1689 E1690 | K1682-T1686 HydrophobicContact CB-CG2 4.37Å; K1682-T1686 WeakPolarHBondContact O-CA 3.26Å; K1682-T1686 WeakPolarHBondContact O-CB 3.3Å; K1682-T1686 WeakPolarHBondContact O-CG2 3.24Å; K1682-T1686 PolarHBondContact O-N 3.32Å; K1682-T1686 PolarHBondContact O-OG1 3.08Å; E1683-T1686 PolarHBondContact O-N 2.7Å; E1683-T1686 PolarHBondContact O-OG1 3.24Å; T1686-E1689 CarbonylContact O-C 3.39Å; T1686-E1690 WeakPolarHBondContact O-CA 2.99Å; T1686-E1690 WeakPolarHBondContact O-CB 3.27Å; T1686-E1690 VanDerWaalsContact O-CG 3.23Å; T1686-E1690 WeakPolarHBondContact O-CG 3.29Å; T1686-E1690 PolarHBondContact O-N 2.91Å |
| 1687 | L | 58 | Low | 55.2 | Low | 59 Ų | 59 | 62 Ų | 62 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -8.5 | 178.3 | -142.3 | -163.7 | 0 | 0 | 0 | 110.4 | V1572 A1575 E1683 T1684 | V1572-L1687 WeakPolarHBondContact CA-O 3.35Å; V1572-L1687 WeakPolarHBondContact CB-O 3.26Å; V1572-L1687 WeakPolarHBondContact CG1-O 3.42Å; V1572-L1687 HydrophobicContact CG2-CD2 4.36Å; V1572-L1687 WeakPolarHBondContact CG2-O 3.49Å; A1575-L1687 HydrophobicContact CB-CB 3.45Å; A1575-L1687 VanDerWaalsContact CB-CB 3.45Å; A1575-L1687 HydrophobicContact CB-CD1 4.01Å; A1575-L1687 HydrophobicContact CB-CD2 3.98Å; A1575-L1687 HydrophobicContact CB-CG 3.97Å; A1575-L1687 WeakPolarHBondContact CB-O 3.37Å; E1683-L1687 WeakPolarHBondContact O-CB 3.38Å; E1683-L1687 PolarHBondContact O-N 3.34Å; T1684-L1687 CarbonylContact O-C 3.55Å |
| 1688 | L | 55.8 | Low | 54.6 | Low | 36 Ų | 36 | 60.9 Ų | 60.9 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -46.8 | 152.7 | -82.4 | 160.9 | 0 | 0 | 0 | 109.9 | V1572 A1575 A1576 T1684 E1690 K1691 I1692 G1693 | V1572-L1688 HydrophobicContact CG1-CD2 4.33Å; V1572-L1688 WeakPolarHBondContact CG1-O 3.31Å; A1575-L1688 HydrophobicContact CB-CG 4.25Å; A1576-L1688 HydrophobicContact CB-CD1 3.88Å; A1576-L1688 HydrophobicContact CB-CD2 3.93Å; A1576-L1688 HydrophobicContact CB-CG 4.09Å; T1684-L1688 HydrophobicContact CG2-CD1 4.15Å; T1684-L1688 WeakPolarHBondContact O-CA 3.42Å; T1684-L1688 WeakPolarHBondContact O-CB 3.33Å; T1684-L1688 WeakPolarHBondContact O-CD1 3.14Å; T1684-L1688 VanDerWaalsContact O-CG 3.25Å; T1684-L1688 WeakPolarHBondContact O-CG 3.3Å; T1684-L1688 PolarHBondContact O-N 3.19Å; L1688-E1690 PolarHBondContact O-N 2.64Å; L1688-K1691 CarbonylContact O-C 3.56Å; L1688-K1691 PolarHBondContact O-N 3.28Å; L1688-I1692 HydrophobicContact CB-CD1 4.11Å; L1688-I1692 HydrophobicContact CB-CG1 4.1Å; L1688-I1692 HydrophobicContact CD1-CD1 4.48Å; L1688-I1692 HydrophobicContact CD2-CD1 3.73Å; L1688-I1692 HydrophobicContact CD2-CG1 3.71Å; L1688-I1692 HydrophobicContact CG-CD1 4.34Å; L1688-I1692 HydrophobicContact CG-CG1 4.5Å; L1688-I1692 CarbonylContact O-C 3.41Å; L1688-I1692 VanDerWaalsContact O-C 3.25Å; L1688-I1692 WeakPolarHBondContact O-CA 3.49Å; L1688-I1692 PolarHBondContact O-N 3.28Å; L1688-G1693 PolarHBondContact O-N 3.01Å |
| 1689 | E | 50.2 | Low | 54.5 | Low | 63 Ų | 63 | 65.9 Ų | 65.9 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 19.4 | 165.3 | -58.9 | 167.1 | 141.5 | 0 | 0 | 113.1 | E1685 T1686 G1693 | E1685-E1689 HydrophobicContact CG-CG 3.75Å; E1685-E1689 WeakPolarHBondContact O-CA 3.47Å; E1685-E1689 WeakPolarHBondContact O-CB 3.18Å; E1685-E1689 WeakPolarHBondContact O-CG 2.98Å; E1685-E1689 PolarHBondContact O-N 3.28Å; T1686-E1689 CarbonylContact O-C 3.39Å; E1689-G1693 VanDerWaalsContact C-N 3.3Å; E1689-G1693 VanDerWaalsContact CA-N 3.26Å; E1689-G1693 CarbonylContact O-C 3.46Å; E1689-G1693 WeakPolarHBondContact O-CA 3.47Å |
| 1690 | E | 55.7 | Low | 53.9 | Low | 106 Ų | 106 | 64.4 Ų | 64.4 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -15.5 | 159.1 | -95.3 | -167.4 | 145.3 | 0 | 0 | 111.8 | V1572 T1686 L1688 T1694 | V1572-E1690 HydrophobicContact CG2-CB 3.3Å; T1686-E1690 WeakPolarHBondContact O-CA 2.99Å; T1686-E1690 WeakPolarHBondContact O-CB 3.27Å; T1686-E1690 VanDerWaalsContact O-CG 3.23Å; T1686-E1690 WeakPolarHBondContact O-CG 3.29Å; T1686-E1690 PolarHBondContact O-N 2.91Å; L1688-E1690 PolarHBondContact O-N 2.64Å; E1690-T1694 VanDerWaalsContact O-CB 3.22Å; E1690-T1694 WeakPolarHBondContact O-CB 3.02Å; E1690-T1694 VanDerWaalsContact O-CG2 3.27Å; E1690-T1694 WeakPolarHBondContact O-CG2 3.5Å; E1690-T1694 PolarHBondContact O-N 3.49Å; E1690-T1694 PolarHBondContact O-OG1 2.87Å |
| 1691 | K | 44.8 | Very low | 53.5 | Low | 45 Ų | 45 | 62.3 Ų | 62.3 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | -24.3 | 163.9 | 123.7 | -114.3 | -80.8 | -161.5 | 0 | 117.6 | I1569 V1572 E1573 L1688 S1695 | I1569-K1691 HydrophobicContact CG2-CG 4.48Å; I1569-K1691 WeakPolarHBondContact O-CB 3.28Å; I1569-K1691 WeakPolarHBondContact O-CE 3.34Å; I1569-K1691 WeakPolarHBondContact O-CG 3.2Å; V1572-K1691 HydrophobicContact CB-CB 3.41Å; V1572-K1691 VanDerWaalsContact CB-CB 3.41Å; V1572-K1691 HydrophobicContact CB-CD 3.57Å; V1572-K1691 HydrophobicContact CB-CG 3.87Å; V1572-K1691 VanDerWaalsContact CG1-CA 3.46Å; V1572-K1691 HydrophobicContact CG1-CB 3.39Å; V1572-K1691 HydrophobicContact CG1-CD 3.48Å; V1572-K1691 VanDerWaalsContact CG1-CD 3.48Å; V1572-K1691 HydrophobicContact CG1-CG 3.68Å; V1572-K1691 HydrophobicContact CG2-CB 3.7Å; E1573-K1691 VanDerWaalsContact CB-NZ 3.31Å; E1573-K1691 IonicContact OE2-NZ 2.66Å; E1573-K1691 PolarHBondContact OE2-NZ 2.82Å; L1688-K1691 CarbonylContact O-C 3.56Å; L1688-K1691 PolarHBondContact O-N 3.28Å; K1691-S1695 VanDerWaalsContact O-CA 3.27Å; K1691-S1695 WeakPolarHBondContact O-CA 3.07Å; K1691-S1695 WeakPolarHBondContact O-CB 3.36Å; K1691-S1695 PolarHBondContact O-N 2.87Å |
| 1692 | I | 52 | Low | 53.5 | Low | 65 Ų | 65 | 61.3 Ų | 61.3 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 7.3 | 136.9 | -28.6 | -179.9 | 0 | 0 | 0 | 110 | L1688 S1695 E1696 | L1688-I1692 HydrophobicContact CB-CD1 4.11Å; L1688-I1692 HydrophobicContact CB-CG1 4.1Å; L1688-I1692 HydrophobicContact CD1-CD1 4.48Å; L1688-I1692 HydrophobicContact CD2-CD1 3.73Å; L1688-I1692 HydrophobicContact CD2-CG1 3.71Å; L1688-I1692 HydrophobicContact CG-CD1 4.34Å; L1688-I1692 HydrophobicContact CG-CG1 4.5Å; L1688-I1692 CarbonylContact O-C 3.41Å; L1688-I1692 VanDerWaalsContact O-C 3.25Å; L1688-I1692 WeakPolarHBondContact O-CA 3.49Å; L1688-I1692 PolarHBondContact O-N 3.28Å; I1692-S1695 CarbonylContact O-C 3.42Å; I1692-E1696 HydrophobicContact CG2-CG 4.07Å; I1692-E1696 WeakPolarHBondContact CG2-OE2 3.39Å; I1692-E1696 WeakPolarHBondContact O-CA 3.35Å; I1692-E1696 WeakPolarHBondContact O-CB 2.99Å; I1692-E1696 WeakPolarHBondContact O-CG 3.03Å; I1692-E1696 PolarHBondContact O-N 2.82Å |
| 1693 | G | 51.6 | Low | 53.7 | Low | 7 Ų | 7 | 60.2 Ų | 60.2 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -142.9 | 2.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1688 E1689 S1695 A1697 | L1688-G1693 PolarHBondContact O-N 3.01Å; E1689-G1693 VanDerWaalsContact C-N 3.3Å; E1689-G1693 VanDerWaalsContact CA-N 3.26Å; E1689-G1693 CarbonylContact O-C 3.46Å; E1689-G1693 WeakPolarHBondContact O-CA 3.47Å; G1693-S1695 VanDerWaalsContact C-N 3.29Å; G1693-S1695 VanDerWaalsContact N-N 3.19Å; G1693-A1697 WeakPolarHBondContact O-CA 3.36Å; G1693-A1697 WeakPolarHBondContact O-CB 3.29Å; G1693-A1697 PolarHBondContact O-N 3.13Å |
| 1694 | T | 48.3 | Very low | 53.4 | Low | 22 Ų | 22 | 59.5 Ų | 59.5 | 14% | 0.135 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | -87.8 | 1.1 | 125.7 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | R1568 E1690 A1698 | R1568-T1694 HydrophobicContact CB-CG2 3.57Å; R1568-T1694 HydrophobicContact CG-CG2 4.23Å; E1690-T1694 VanDerWaalsContact O-CB 3.22Å; E1690-T1694 WeakPolarHBondContact O-CB 3.02Å; E1690-T1694 VanDerWaalsContact O-CG2 3.27Å; E1690-T1694 WeakPolarHBondContact O-CG2 3.5Å; E1690-T1694 PolarHBondContact O-N 3.49Å; E1690-T1694 PolarHBondContact O-OG1 2.87Å; T1694-A1698 WeakPolarHBondContact O-CB 3.41Å; T1694-A1698 PolarHBondContact O-N 3.39Å | |
| 1695 | S | 48.3 | Very low | 53.4 | Low | 53 Ų | 53 | 65 Ų | 65 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 33.2 | 157.3 | -155 | 0 | 0 | 0 | 0 | 112 | K1691 I1692 G1693 R1699 | K1691-S1695 VanDerWaalsContact O-CA 3.27Å; K1691-S1695 WeakPolarHBondContact O-CA 3.07Å; K1691-S1695 WeakPolarHBondContact O-CB 3.36Å; K1691-S1695 PolarHBondContact O-N 2.87Å; I1692-S1695 CarbonylContact O-C 3.42Å; G1693-S1695 VanDerWaalsContact C-N 3.29Å; G1693-S1695 VanDerWaalsContact N-N 3.19Å; S1695-R1699 WeakPolarHBondContact O-CA 3.17Å; S1695-R1699 WeakPolarHBondContact O-CB 3.19Å; S1695-R1699 WeakPolarHBondContact O-CD 3.07Å; S1695-R1699 WeakPolarHBondContact O-CG 3.37Å; S1695-R1699 PolarHBondContact O-N 3.22Å |
| 1696 | E | 48.7 | Very low | 54.1 | Low | 30 Ų | 30 | 69 Ų | 69 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -52.1 | 157.5 | -85.5 | 163.1 | 143.6 | 0 | 0 | 105.4 | I1692 A1698 R1699 Q1700 R1701 | I1692-E1696 HydrophobicContact CG2-CG 4.07Å; I1692-E1696 WeakPolarHBondContact CG2-OE2 3.39Å; I1692-E1696 WeakPolarHBondContact O-CA 3.35Å; I1692-E1696 WeakPolarHBondContact O-CB 2.99Å; I1692-E1696 WeakPolarHBondContact O-CG 3.03Å; I1692-E1696 PolarHBondContact O-N 2.82Å; E1696-A1698 VanDerWaalsContact N-N 3.15Å; E1696-A1698 CarbonylContact O-C 3.48Å; E1696-A1698 WeakPolarHBondContact O-CA 3.45Å; E1696-A1698 PolarHBondContact O-N 3.2Å; E1696-R1699 HydrophobicContact CB-CB 4.36Å; E1696-R1699 HydrophobicContact CG-CB 3.61Å; E1696-R1699 HydrophobicContact CG-CG 4.5Å; E1696-R1699 CarbonylContact O-C 3.4Å; E1696-R1699 PolarHBondContact O-N 2.86Å; E1696-R1699 IonicContact OE1-CZ 3.23Å; E1696-R1699 IonicContact OE1-NE 2.97Å; E1696-R1699 PolarHBondContact OE1-NE 2.93Å; E1696-R1699 IonicContact OE1-NH2 2.67Å; E1696-R1699 PolarHBondContact OE1-NH2 2.82Å; E1696-Q1700 HydrophobicContact CB-CB 4.14Å; E1696-Q1700 HydrophobicContact CB-CG 3.83Å; E1696-Q1700 HydrophobicContact CG-CG 4.05Å; E1696-Q1700 CarbonylContact O-C 3.58Å; E1696-Q1700 WeakPolarHBondContact O-CA 3.28Å; E1696-Q1700 WeakPolarHBondContact O-CB 3.17Å; E1696-Q1700 PolarHBondContact O-N 2.86Å; E1696-R1701 PolarHBondContact O-N 2.86Å |
| 1697 | A | 51.7 | Low | 54.3 | Low | 31 Ų | 31 | 70.5 Ų | 70.5 | 26% | 0.256 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 7.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1693 R1701 | G1693-A1697 WeakPolarHBondContact O-CA 3.36Å; G1693-A1697 WeakPolarHBondContact O-CB 3.29Å; G1693-A1697 PolarHBondContact O-N 3.13Å; A1697-R1701 HydrophobicContact CB-CG 4.4Å; A1697-R1701 VanDerWaalsContact O-CB 3.25Å; A1697-R1701 WeakPolarHBondContact O-CB 3.23Å; A1697-R1701 VanDerWaalsContact O-CD 3.28Å; A1697-R1701 WeakPolarHBondContact O-CD 3.27Å; A1697-R1701 VanDerWaalsContact O-CG 3.23Å; A1697-R1701 WeakPolarHBondContact O-CG 3.25Å; A1697-R1701 PolarHBondContact O-NH1 3.23Å |
| 1698 | A | 49.4 | Very low | 54.2 | Low | 40 Ų | 40 | 73.6 Ų | 73.6 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 2.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | T1694 E1696 A1702 | T1694-A1698 WeakPolarHBondContact O-CB 3.41Å; T1694-A1698 PolarHBondContact O-N 3.39Å; E1696-A1698 VanDerWaalsContact N-N 3.15Å; E1696-A1698 CarbonylContact O-C 3.48Å; E1696-A1698 WeakPolarHBondContact O-CA 3.45Å; E1696-A1698 PolarHBondContact O-N 3.2Å; A1698-A1702 WeakPolarHBondContact O-CA 3.36Å; A1698-A1702 WeakPolarHBondContact O-CB 3.48Å; A1698-A1702 PolarHBondContact O-N 3.02Å |
| 1699 | R | 54.8 | Low | 54.4 | Low | 136 Ų | 136 | 73.9 Ų | 73.9 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -85 | 147.1 | -82.5 | 152.9 | 37 | 130.2 | -13.8 | 106.3 | S1695 E1696 R1701 A1702 E1703 | S1695-R1699 WeakPolarHBondContact O-CA 3.17Å; S1695-R1699 WeakPolarHBondContact O-CB 3.19Å; S1695-R1699 WeakPolarHBondContact O-CD 3.07Å; S1695-R1699 WeakPolarHBondContact O-CG 3.37Å; S1695-R1699 PolarHBondContact O-N 3.22Å; E1696-R1699 HydrophobicContact CB-CB 4.36Å; E1696-R1699 HydrophobicContact CG-CB 3.61Å; E1696-R1699 HydrophobicContact CG-CG 4.5Å; E1696-R1699 CarbonylContact O-C 3.4Å; E1696-R1699 PolarHBondContact O-N 2.86Å; E1696-R1699 IonicContact OE1-CZ 3.23Å; E1696-R1699 IonicContact OE1-NE 2.97Å; E1696-R1699 PolarHBondContact OE1-NE 2.93Å; E1696-R1699 IonicContact OE1-NH2 2.67Å; E1696-R1699 PolarHBondContact OE1-NH2 2.82Å; R1699-R1701 CarbonylContact O-C 3.23Å; R1699-R1701 VanDerWaalsContact O-C 3.27Å; R1699-R1701 WeakPolarHBondContact O-CA 3.32Å; R1699-R1701 PolarHBondContact O-N 3.2Å; R1699-A1702 CarbonylContact O-C 3.55Å; R1699-A1702 VanDerWaalsContact O-CA 3.3Å; R1699-A1702 WeakPolarHBondContact O-CA 3.29Å; R1699-A1702 PolarHBondContact O-N 3.03Å; R1699-E1703 HydrophobicContact CB-CB 4.41Å; R1699-E1703 WeakPolarHBondContact O-CA 3.23Å; R1699-E1703 WeakPolarHBondContact O-CB 3.24Å; R1699-E1703 PolarHBondContact O-N 3.02Å |
| 1700 | Q | 53.5 | Low | 55.3 | Low | 89 Ų | 89 | 72.4 Ų | 72.4 | 42% | 0.416 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -36.4 | -1.1 | 159.6 | -50.2 | 173 | 34.5 | 0 | 0 | 119.3 | E1696 Q1704 | E1696-Q1700 HydrophobicContact CB-CB 4.14Å; E1696-Q1700 HydrophobicContact CB-CG 3.83Å; E1696-Q1700 HydrophobicContact CG-CG 4.05Å; E1696-Q1700 CarbonylContact O-C 3.58Å; E1696-Q1700 WeakPolarHBondContact O-CA 3.28Å; E1696-Q1700 WeakPolarHBondContact O-CB 3.17Å; E1696-Q1700 PolarHBondContact O-N 2.86Å; Q1700-Q1704 WeakPolarHBondContact O-CB 3.49Å; Q1700-Q1704 WeakPolarHBondContact O-CG 3.43Å; Q1700-Q1704 PolarHBondContact O-N 2.92Å; Q1700-Q1704 PolarHBondContact O-OE1 3.29Å |
| 1701 | R | 53 | Low | 55.6 | Low | 142 Ų | 142 | 74 Ų | 74 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -9.4 | 147.6 | -56.1 | -170.3 | -151.7 | 119.1 | -9.1 | 118.1 | E1696 A1697 R1699 L1705 | E1696-R1701 PolarHBondContact O-N 2.86Å; A1697-R1701 HydrophobicContact CB-CG 4.4Å; A1697-R1701 VanDerWaalsContact O-CB 3.25Å; A1697-R1701 WeakPolarHBondContact O-CB 3.23Å; A1697-R1701 VanDerWaalsContact O-CD 3.28Å; A1697-R1701 WeakPolarHBondContact O-CD 3.27Å; A1697-R1701 VanDerWaalsContact O-CG 3.23Å; A1697-R1701 WeakPolarHBondContact O-CG 3.25Å; A1697-R1701 PolarHBondContact O-NH1 3.23Å; R1699-R1701 CarbonylContact O-C 3.23Å; R1699-R1701 VanDerWaalsContact O-C 3.27Å; R1699-R1701 WeakPolarHBondContact O-CA 3.32Å; R1699-R1701 PolarHBondContact O-N 3.2Å; R1701-L1705 VanDerWaalsContact C-N 3.33Å; R1701-L1705 WeakPolarHBondContact O-CA 3.42Å; R1701-L1705 WeakPolarHBondContact O-CB 3.44Å; R1701-L1705 WeakPolarHBondContact O-CD1 3.28Å; R1701-L1705 WeakPolarHBondContact O-CG 2.99Å; R1701-L1705 PolarHBondContact O-N 3Å |
| 1702 | A | 58.9 | Low | 56.4 | Low | 54 Ų | 54 | 76.6 Ų | 76.6 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 34.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1698 R1699 R1706 | A1698-A1702 WeakPolarHBondContact O-CA 3.36Å; A1698-A1702 WeakPolarHBondContact O-CB 3.48Å; A1698-A1702 PolarHBondContact O-N 3.02Å; R1699-A1702 CarbonylContact O-C 3.55Å; R1699-A1702 VanDerWaalsContact O-CA 3.3Å; R1699-A1702 WeakPolarHBondContact O-CA 3.29Å; R1699-A1702 PolarHBondContact O-N 3.03Å; A1702-R1706 WeakPolarHBondContact O-CB 3.3Å |
| 1703 | E | 60.1 | Low | 57.2 | Low | 46 Ų | 46 | 77.2 Ų | 77.2 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -160.4 | -21.4 | -176.1 | -171.1 | 69.2 | -141.7 | 0 | 0 | 106.4 | R1699 R1706 Q1707 | R1699-E1703 HydrophobicContact CB-CB 4.41Å; R1699-E1703 WeakPolarHBondContact O-CA 3.23Å; R1699-E1703 WeakPolarHBondContact O-CB 3.24Å; R1699-E1703 PolarHBondContact O-N 3.02Å; E1703-R1706 CarbonylContact O-C 3.57Å; E1703-R1706 IonicContact OE1-CZ 2.68Å; E1703-R1706 IonicContact OE1-NE 3.04Å; E1703-R1706 IonicContact OE1-NH2 3.22Å; E1703-R1706 PolarHBondContact OE1-NH2 2.94Å; E1703-R1706 IonicContact OE2-CZ 3.53Å; E1703-R1706 VanDerWaalsContact OE2-CZ 3.24Å; E1703-R1706 IonicContact OE2-NE 2.8Å; E1703-R1706 PolarHBondContact OE2-NE 3.12Å; E1703-R1706 IonicContact OE2-NH2 3.51Å; E1703-R1706 PolarHBondContact OE2-NH2 2.72Å; E1703-Q1707 HydrophobicContact CG-CG 4.41Å; E1703-Q1707 WeakPolarHBondContact O-CA 3.43Å; E1703-Q1707 WeakPolarHBondContact O-CB 3.09Å; E1703-Q1707 VanDerWaalsContact O-CD 3.28Å; E1703-Q1707 WeakPolarHBondContact O-CG 3.26Å; E1703-Q1707 PolarHBondContact O-N 2.84Å; E1703-Q1707 PolarHBondContact OE1-NE2 2.98Å |
| 1704 | Q | 57.6 | Low | 57.9 | Low | 99 Ų | 99 | 82.2 Ų | 82.2 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -90.3 | -18.5 | 140.4 | -66.7 | 170.7 | -2.7 | 0 | 0 | 112.6 | Q1700 M1708 | Q1700-Q1704 WeakPolarHBondContact O-CB 3.49Å; Q1700-Q1704 WeakPolarHBondContact O-CG 3.43Å; Q1700-Q1704 PolarHBondContact O-N 2.92Å; Q1700-Q1704 PolarHBondContact O-OE1 3.29Å; Q1704-M1708 WeakPolarHBondContact O-CA 3.36Å; Q1704-M1708 WeakPolarHBondContact O-CB 3.33Å; Q1704-M1708 WeakPolarHBondContact O-CG 3.34Å; Q1704-M1708 PolarHBondContact O-N 3.04Å |
| 1705 | L | 55.2 | Low | 58.5 | Low | 120 Ų | 120 | 87.1 Ų | 87.1 | 63% | 0.628 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -6.9 | 157.9 | -62.4 | 161.5 | 0 | 0 | 0 | 111.9 | R1701 A1709 | R1701-L1705 VanDerWaalsContact C-N 3.33Å; R1701-L1705 WeakPolarHBondContact O-CA 3.42Å; R1701-L1705 WeakPolarHBondContact O-CB 3.44Å; R1701-L1705 WeakPolarHBondContact O-CD1 3.28Å; R1701-L1705 WeakPolarHBondContact O-CG 2.99Å; R1701-L1705 PolarHBondContact O-N 3Å; L1705-A1709 WeakPolarHBondContact O-CA 3.46Å; L1705-A1709 WeakPolarHBondContact O-CB 3.38Å; L1705-A1709 PolarHBondContact O-N 2.94Å |
| 1706 | R | 67.7 | Low | 59.1 | Low | 134 Ų | 134 | 87.5 Ų | 87.5 | 51% | 0.506 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 5.8 | 161.9 | -165.3 | -160.6 | 79.2 | 92 | 2.5 | 112.6 | A1702 E1703 T1710 | A1702-R1706 WeakPolarHBondContact O-CB 3.3Å; E1703-R1706 CarbonylContact O-C 3.57Å; E1703-R1706 IonicContact OE1-CZ 2.68Å; E1703-R1706 IonicContact OE1-NE 3.04Å; E1703-R1706 IonicContact OE1-NH2 3.22Å; E1703-R1706 PolarHBondContact OE1-NH2 2.94Å; E1703-R1706 IonicContact OE2-CZ 3.53Å; E1703-R1706 VanDerWaalsContact OE2-CZ 3.24Å; E1703-R1706 IonicContact OE2-NE 2.8Å; E1703-R1706 PolarHBondContact OE2-NE 3.12Å; E1703-R1706 IonicContact OE2-NH2 3.51Å; E1703-R1706 PolarHBondContact OE2-NH2 2.72Å; R1706-T1710 WeakPolarHBondContact O-CA 3.33Å; R1706-T1710 WeakPolarHBondContact O-CB 3.46Å; R1706-T1710 PolarHBondContact O-N 2.67Å; R1706-T1710 VanDerWaalsContact O-N 3.1Å; R1706-T1710 PolarHBondContact O-OG1 3.07Å |
| 1707 | Q | 65.3 | Low | 59.9 | Low | 103 Ų | 103 | 90.8 Ų | 90.8 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -17.1 | 158.1 | -62.4 | 166.2 | 15 | 0 | 0 | 111.7 | E1703 K1711 | E1703-Q1707 HydrophobicContact CG-CG 4.41Å; E1703-Q1707 WeakPolarHBondContact O-CA 3.43Å; E1703-Q1707 WeakPolarHBondContact O-CB 3.09Å; E1703-Q1707 VanDerWaalsContact O-CD 3.28Å; E1703-Q1707 WeakPolarHBondContact O-CG 3.26Å; E1703-Q1707 PolarHBondContact O-N 2.84Å; E1703-Q1707 PolarHBondContact OE1-NE2 2.98Å; Q1707-K1711 WeakPolarHBondContact O-CA 3.04Å; Q1707-K1711 WeakPolarHBondContact O-CB 3.08Å; Q1707-K1711 WeakPolarHBondContact O-CG 3.2Å; Q1707-K1711 PolarHBondContact O-N 3.15Å |
| 1708 | M | 55.2 | Low | 60.5 | Low | 125 Ų | 125 | 95.6 Ų | 95.6 | 62% | 0.616 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -23.1 | 153.1 | -58.2 | 175.1 | 177 | 0 | 0 | 111.3 | Q1704 K1711 L1712 | Q1704-M1708 WeakPolarHBondContact O-CA 3.36Å; Q1704-M1708 WeakPolarHBondContact O-CB 3.33Å; Q1704-M1708 WeakPolarHBondContact O-CG 3.34Å; Q1704-M1708 PolarHBondContact O-N 3.04Å; M1708-K1711 CarbonylContact O-C 3.46Å; M1708-L1712 VanDerWaalsContact O-CA 3.23Å; M1708-L1712 WeakPolarHBondContact O-CA 3.17Å; M1708-L1712 WeakPolarHBondContact O-CB 3.38Å; M1708-L1712 PolarHBondContact O-N 2.94Å |
| 1709 | A | 61.4 | Low | 61.1 | Low | 41 Ų | 41 | 97.6 Ų | 97.6 | 34% | 0.339 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 32.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1705 L1712 L1713 | L1705-A1709 WeakPolarHBondContact O-CA 3.46Å; L1705-A1709 WeakPolarHBondContact O-CB 3.38Å; L1705-A1709 PolarHBondContact O-N 2.94Å; A1709-L1712 HydrophobicContact CB-CB 4.33Å; A1709-L1713 VanDerWaalsContact C-N 3.35Å; A1709-L1713 WeakPolarHBondContact O-CB 3.44Å; A1709-L1713 PolarHBondContact O-N 3.34Å |
| 1710 | T | 67.2 | Low | 61.7 | Low | 33 Ų | 33 | 95 Ų | 95 | 20% | 0.202 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -4.6 | 136.5 | -52.4 | 0 | 0 | 0 | 0 | 112 | R1706 E1714 | R1706-T1710 WeakPolarHBondContact O-CA 3.33Å; R1706-T1710 WeakPolarHBondContact O-CB 3.46Å; R1706-T1710 PolarHBondContact O-N 2.67Å; R1706-T1710 VanDerWaalsContact O-N 3.1Å; R1706-T1710 PolarHBondContact O-OG1 3.07Å; T1710-E1714 HydrophobicContact CG2-CG 4.01Å; T1710-E1714 VanDerWaalsContact O-CA 3.27Å; T1710-E1714 WeakPolarHBondContact O-CA 3.31Å; T1710-E1714 WeakPolarHBondContact O-CB 3.5Å; T1710-E1714 WeakPolarHBondContact O-CG 3.24Å; T1710-E1714 PolarHBondContact O-N 3.38Å |
| 1711 | K | 63.5 | Low | 62.4 | Low | 138 Ų | 138 | 93 Ų | 93 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2 | 150.8 | -63.5 | 176.6 | 171.1 | -179.9 | 0 | 114.2 | Q1707 M1708 K1715 | Q1707-K1711 WeakPolarHBondContact O-CA 3.04Å; Q1707-K1711 WeakPolarHBondContact O-CB 3.08Å; Q1707-K1711 WeakPolarHBondContact O-CG 3.2Å; Q1707-K1711 PolarHBondContact O-N 3.15Å; M1708-K1711 CarbonylContact O-C 3.46Å; K1711-K1715 VanDerWaalsContact C-N 3.25Å; K1711-K1715 WeakPolarHBondContact O-CA 3.09Å; K1711-K1715 WeakPolarHBondContact O-CB 3.41Å; K1711-K1715 WeakPolarHBondContact O-CG 3.09Å; K1711-K1715 PolarHBondContact O-N 2.76Å |
| 1712 | L | 60.7 | Low | 62.8 | Low | 100 Ų | 100 | 88.9 Ų | 88.9 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -7.1 | 160.3 | -169.6 | 79.9 | 0 | 0 | 0 | 109.3 | M1708 A1709 T1716 | M1708-L1712 VanDerWaalsContact O-CA 3.23Å; M1708-L1712 WeakPolarHBondContact O-CA 3.17Å; M1708-L1712 WeakPolarHBondContact O-CB 3.38Å; M1708-L1712 PolarHBondContact O-N 2.94Å; A1709-L1712 HydrophobicContact CB-CB 4.33Å; L1712-T1716 WeakPolarHBondContact CD1-OG1 3.15Å; L1712-T1716 WeakPolarHBondContact CG-OG1 3.32Å; L1712-T1716 WeakPolarHBondContact O-CA 3.2Å; L1712-T1716 WeakPolarHBondContact O-CB 3.23Å; L1712-T1716 PolarHBondContact O-N 3.13Å; L1712-T1716 PolarHBondContact O-OG1 3.12Å |
| 1713 | L | 68.6 | Low | 62.7 | Low | 79 Ų | 79 | 91.1 Ų | 91.1 | 41% | 0.414 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -61.9 | 148.1 | -157.8 | 77.2 | 0 | 0 | 0 | 106.3 | A1709 K1715 T1716 E1717 | A1709-L1713 VanDerWaalsContact C-N 3.35Å; A1709-L1713 WeakPolarHBondContact O-CB 3.44Å; A1709-L1713 PolarHBondContact O-N 3.34Å; L1713-K1715 VanDerWaalsContact C-N 3.28Å; L1713-K1715 CarbonylContact O-C 3.39Å; L1713-K1715 PolarHBondContact O-N 3.39Å; L1713-T1716 CarbonylContact O-C 3.36Å; L1713-T1716 WeakPolarHBondContact O-CA 3.01Å; L1713-T1716 PolarHBondContact O-N 2.78Å; L1713-E1717 HydrophobicContact CD1-CG 4.09Å; L1713-E1717 HydrophobicContact CD2-CG 4.49Å; L1713-E1717 WeakPolarHBondContact CD2-OE1 3.3Å; L1713-E1717 HydrophobicContact CG-CG 3.74Å; L1713-E1717 WeakPolarHBondContact CG-OE2 3.48Å; L1713-E1717 VanDerWaalsContact O-CA 3.31Å; L1713-E1717 WeakPolarHBondContact O-CA 3.4Å; L1713-E1717 WeakPolarHBondContact O-CB 3.01Å; L1713-E1717 PolarHBondContact O-N 3.18Å |
| 1714 | E | 66.7 | Low | 63.1 | Low | 111 Ų | 111 | 92.5 Ų | 92.5 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.2 | -24.1 | 169.5 | -62.1 | 159.2 | 177.2 | 0 | 0 | 115 | T1710 K1718 | T1710-E1714 HydrophobicContact CG2-CG 4.01Å; T1710-E1714 VanDerWaalsContact O-CA 3.27Å; T1710-E1714 WeakPolarHBondContact O-CA 3.31Å; T1710-E1714 WeakPolarHBondContact O-CB 3.5Å; T1710-E1714 WeakPolarHBondContact O-CG 3.24Å; T1710-E1714 PolarHBondContact O-N 3.38Å; E1714-K1718 WeakPolarHBondContact O-CA 3.34Å; E1714-K1718 WeakPolarHBondContact O-CB 3Å; E1714-K1718 PolarHBondContact O-N 3.13Å |
| 1715 | K | 61.1 | Low | 63.4 | Low | 126 Ų | 126 | 92.7 Ų | 92.7 | 55% | 0.548 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -87 | -14.9 | 163.4 | -82 | -174.4 | 154.6 | -162.1 | 0 | 114 | K1711 L1713 H1719 | K1711-K1715 VanDerWaalsContact C-N 3.25Å; K1711-K1715 WeakPolarHBondContact O-CA 3.09Å; K1711-K1715 WeakPolarHBondContact O-CB 3.41Å; K1711-K1715 WeakPolarHBondContact O-CG 3.09Å; K1711-K1715 PolarHBondContact O-N 2.76Å; L1713-K1715 VanDerWaalsContact C-N 3.28Å; L1713-K1715 CarbonylContact O-C 3.39Å; L1713-K1715 PolarHBondContact O-N 3.39Å; K1715-H1719 VanDerWaalsContact C-N 3.34Å; K1715-H1719 WeakPolarHBondContact O-CA 3.38Å; K1715-H1719 WeakPolarHBondContact O-CB 3.44Å; K1715-H1719 PolarHBondContact O-CD2 3.08Å; K1715-H1719 PolarHBondContact O-N 3.12Å |
| 1716 | T | 60.7 | Low | 63.6 | Low | 61 Ų | 61 | 93.8 Ų | 93.8 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -116.6 | 25.1 | 172.7 | -43.2 | 0 | 0 | 0 | 0 | 111.4 | L1712 L1713 L1720 | L1712-T1716 WeakPolarHBondContact CD1-OG1 3.15Å; L1712-T1716 WeakPolarHBondContact CG-OG1 3.32Å; L1712-T1716 WeakPolarHBondContact O-CA 3.2Å; L1712-T1716 WeakPolarHBondContact O-CB 3.23Å; L1712-T1716 PolarHBondContact O-N 3.13Å; L1712-T1716 PolarHBondContact O-OG1 3.12Å; L1713-T1716 CarbonylContact O-C 3.36Å; L1713-T1716 WeakPolarHBondContact O-CA 3.01Å; L1713-T1716 PolarHBondContact O-N 2.78Å; T1716-L1720 WeakPolarHBondContact O-CB 3.2Å; T1716-L1720 PolarHBondContact O-N 3.43Å |
| 1717 | E | 65.9 | Low | 63.4 | Low | 98 Ų | 98 | 94.5 Ų | 94.5 | 46% | 0.458 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -135.9 | -29.1 | 168 | -83.3 | -177 | 162.7 | 0 | 0 | 108.7 | L1713 L1720 S1721 | L1713-E1717 HydrophobicContact CD1-CG 4.09Å; L1713-E1717 HydrophobicContact CD2-CG 4.49Å; L1713-E1717 WeakPolarHBondContact CD2-OE1 3.3Å; L1713-E1717 HydrophobicContact CG-CG 3.74Å; L1713-E1717 WeakPolarHBondContact CG-OE2 3.48Å; L1713-E1717 VanDerWaalsContact O-CA 3.31Å; L1713-E1717 WeakPolarHBondContact O-CA 3.4Å; L1713-E1717 WeakPolarHBondContact O-CB 3.01Å; L1713-E1717 PolarHBondContact O-N 3.18Å; E1717-L1720 VanDerWaalsContact N-N 3.17Å; E1717-S1721 VanDerWaalsContact O-CA 3.31Å; E1717-S1721 WeakPolarHBondContact O-CA 3.39Å; E1717-S1721 WeakPolarHBondContact O-CB 3.26Å; E1717-S1721 PolarHBondContact O-N 2.83Å |
| 1718 | K | 64.4 | Low | 63.7 | Low | 133 Ų | 133 | 97.1 Ų | 97.1 | 58% | 0.578 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -80.6 | -34.7 | 151.3 | -164 | -171 | 168.7 | 179.9 | 0 | 110.6 | E1714 S1721 D1722 | E1714-K1718 WeakPolarHBondContact O-CA 3.34Å; E1714-K1718 WeakPolarHBondContact O-CB 3Å; E1714-K1718 PolarHBondContact O-N 3.13Å; K1718-S1721 CarbonylContact O-C 3.4Å; K1718-S1721 PolarHBondContact O-N 2.87Å; K1718-D1722 VanDerWaalsContact O-CA 3.29Å; K1718-D1722 WeakPolarHBondContact O-CA 2.99Å; K1718-D1722 WeakPolarHBondContact O-CB 3.38Å; K1718-D1722 PolarHBondContact O-N 2.98Å; K1718-D1722 VanDerWaalsContact O-OD2 3.1Å |
| 1719 | H | 61.9 | Low | 64 | Low | 81 Ų | 81 | 96.3 Ų | 96.3 | 38% | 0.375 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -81.1 | -13.2 | 158.5 | -54.1 | -52.2 | 0 | 0 | 0 | 112.7 | K1715 D1722 I1723 | K1715-H1719 VanDerWaalsContact C-N 3.34Å; K1715-H1719 WeakPolarHBondContact O-CA 3.38Å; K1715-H1719 WeakPolarHBondContact O-CB 3.44Å; K1715-H1719 PolarHBondContact O-CD2 3.08Å; K1715-H1719 PolarHBondContact O-N 3.12Å; H1719-D1722 IonicContact ND1-OD2 3.44Å; H1719-D1722 PolarHBondContact ND1-OD2 3.34Å; H1719-I1723 HydrophobicContact CB-CD1 4.17Å; H1719-I1723 HydrophobicContact CB-CG1 4.46Å; H1719-I1723 WeakPolarHBondContact O-CA 3.16Å; H1719-I1723 WeakPolarHBondContact O-CB 3.39Å; H1719-I1723 VanDerWaalsContact O-CD1 3.24Å; H1719-I1723 WeakPolarHBondContact O-CD1 3.28Å; H1719-I1723 WeakPolarHBondContact O-CG1 3.28Å; H1719-I1723 PolarHBondContact O-N 2.81Å |
| 1720 | L | 66.5 | Low | 64.1 | Low | 81 Ų | 81 | 100.4 Ų | 100.4 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -77.2 | -29.3 | 159.9 | -132.6 | 72.3 | 0 | 0 | 0 | 111 | T1716 E1717 I1723 E1724 | T1716-L1720 WeakPolarHBondContact O-CB 3.2Å; T1716-L1720 PolarHBondContact O-N 3.43Å; E1717-L1720 VanDerWaalsContact N-N 3.17Å; L1720-I1723 CarbonylContact O-C 3.54Å; L1720-E1724 HydrophobicContact CG-CG 4.43Å; L1720-E1724 WeakPolarHBondContact O-CA 3.3Å; L1720-E1724 WeakPolarHBondContact O-CB 3.38Å; L1720-E1724 WeakPolarHBondContact O-CG 3.41Å; L1720-E1724 PolarHBondContact O-N 2.78Å |
| 1721 | S | 68 | Low | 64.1 | Low | 47 Ų | 47 | 101.7 Ų | 101.7 | 33% | 0.329 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -85.2 | -30.9 | 177.6 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | E1717 K1718 E1724 E1725 | E1717-S1721 VanDerWaalsContact O-CA 3.31Å; E1717-S1721 WeakPolarHBondContact O-CA 3.39Å; E1717-S1721 WeakPolarHBondContact O-CB 3.26Å; E1717-S1721 PolarHBondContact O-N 2.83Å; K1718-S1721 CarbonylContact O-C 3.4Å; K1718-S1721 PolarHBondContact O-N 2.87Å; S1721-E1724 CarbonylContact O-C 3.57Å; S1721-E1724 PolarHBondContact O-N 2.69Å; S1721-E1725 VanDerWaalsContact O-CA 3.25Å; S1721-E1725 WeakPolarHBondContact O-CA 3.14Å; S1721-E1725 WeakPolarHBondContact O-CB 3.35Å; S1721-E1725 PolarHBondContact O-N 2.87Å |
| 1722 | D | 61.3 | Low | 64.2 | Low | 56 Ų | 56 | 97.2 Ų | 97.2 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -77.2 | -34 | 170.2 | -58.5 | -21.7 | 0 | 0 | 0 | 107.7 | K1718 H1719 E1726 | K1718-D1722 VanDerWaalsContact O-CA 3.29Å; K1718-D1722 WeakPolarHBondContact O-CA 2.99Å; K1718-D1722 WeakPolarHBondContact O-CB 3.38Å; K1718-D1722 PolarHBondContact O-N 2.98Å; K1718-D1722 VanDerWaalsContact O-OD2 3.1Å; H1719-D1722 IonicContact ND1-OD2 3.44Å; H1719-D1722 PolarHBondContact ND1-OD2 3.34Å; D1722-E1726 VanDerWaalsContact O-CA 3.29Å; D1722-E1726 WeakPolarHBondContact O-CA 3.03Å; D1722-E1726 WeakPolarHBondContact O-CB 3.41Å; D1722-E1726 VanDerWaalsContact O-CG 3.27Å; D1722-E1726 WeakPolarHBondContact O-CG 3.39Å; D1722-E1726 PolarHBondContact O-N 3.03Å |
| 1723 | I | 56.8 | Low | 64.1 | Low | 101 Ų | 101 | 96 Ų | 96 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -81.9 | -16.1 | 167.8 | -59.5 | 163.9 | 0 | 0 | 0 | 111.5 | H1719 L1720 R1727 | H1719-I1723 HydrophobicContact CB-CD1 4.17Å; H1719-I1723 HydrophobicContact CB-CG1 4.46Å; H1719-I1723 WeakPolarHBondContact O-CA 3.16Å; H1719-I1723 WeakPolarHBondContact O-CB 3.39Å; H1719-I1723 VanDerWaalsContact O-CD1 3.24Å; H1719-I1723 WeakPolarHBondContact O-CD1 3.28Å; H1719-I1723 WeakPolarHBondContact O-CG1 3.28Å; H1719-I1723 PolarHBondContact O-N 2.81Å; L1720-I1723 CarbonylContact O-C 3.54Å; I1723-R1727 VanDerWaalsContact O-CA 3.23Å; I1723-R1727 WeakPolarHBondContact O-CA 3.07Å; I1723-R1727 WeakPolarHBondContact O-CB 3.48Å; I1723-R1727 PolarHBondContact O-N 2.96Å |
| 1724 | E | 68.8 | Low | 63.8 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -95.6 | -12.3 | 170.7 | -82.2 | -174.1 | -162.6 | 0 | 0 | 111.8 | L1720 S1721 R1727 R1728 | L1720-E1724 HydrophobicContact CG-CG 4.43Å; L1720-E1724 WeakPolarHBondContact O-CA 3.3Å; L1720-E1724 WeakPolarHBondContact O-CB 3.38Å; L1720-E1724 WeakPolarHBondContact O-CG 3.41Å; L1720-E1724 PolarHBondContact O-N 2.78Å; S1721-E1724 CarbonylContact O-C 3.57Å; S1721-E1724 PolarHBondContact O-N 2.69Å; E1724-R1727 CarbonylContact O-C 3.56Å; E1724-R1728 VanDerWaalsContact C-N 3.35Å; E1724-R1728 WeakPolarHBondContact O-CA 3.41Å; E1724-R1728 WeakPolarHBondContact O-CB 2.96Å; E1724-R1728 WeakPolarHBondContact O-CD 3.4Å; E1724-R1728 WeakPolarHBondContact O-CG 3.4Å; E1724-R1728 PolarHBondContact O-N 2.95Å; E1724-R1728 PolarHBondContact O-NE 3.31Å; E1724-R1728 IonicContact OE2-CZ 3.47Å; E1724-R1728 IonicContact OE2-NH2 2.83Å; E1724-R1728 PolarHBondContact OE2-NH2 3.35Å |
| 1725 | E | 64.8 | Low | 63.9 | Low | 104 Ų | 104 | 97.5 Ų | 97.5 | 49% | 0.486 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -101.6 | -32.5 | 172.3 | -169.2 | 164.7 | -179.7 | 0 | 0 | 109 | S1721 R1727 Q1729 | S1721-E1725 VanDerWaalsContact O-CA 3.25Å; S1721-E1725 WeakPolarHBondContact O-CA 3.14Å; S1721-E1725 WeakPolarHBondContact O-CB 3.35Å; S1721-E1725 PolarHBondContact O-N 2.87Å; E1725-R1727 VanDerWaalsContact C-N 3.35Å; E1725-Q1729 WeakPolarHBondContact O-CA 3.4Å; E1725-Q1729 WeakPolarHBondContact O-CB 3.23Å; E1725-Q1729 WeakPolarHBondContact O-CG 3.2Å; E1725-Q1729 PolarHBondContact O-N 2.84Å |
| 1726 | E | 58.9 | Low | 64.1 | Low | 143 Ų | 143 | 98.2 Ų | 98.2 | 67% | 0.668 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -73.9 | -20 | 154.6 | -68.9 | -159.1 | 175.6 | 0 | 0 | 112.5 | D1722 Q1729 F1730 | D1722-E1726 VanDerWaalsContact O-CA 3.29Å; D1722-E1726 WeakPolarHBondContact O-CA 3.03Å; D1722-E1726 WeakPolarHBondContact O-CB 3.41Å; D1722-E1726 VanDerWaalsContact O-CG 3.27Å; D1722-E1726 WeakPolarHBondContact O-CG 3.39Å; D1722-E1726 PolarHBondContact O-N 3.03Å; E1726-Q1729 CarbonylContact O-C 3.29Å; E1726-F1730 VanDerWaalsContact O-CA 3.25Å; E1726-F1730 WeakPolarHBondContact O-CA 3.47Å; E1726-F1730 WeakPolarHBondContact O-CB 3.47Å; E1726-F1730 PolarHBondContact O-N 2.87Å |
| 1727 | R | 64.3 | Low | 64.2 | Low | 149 Ų | 149 | 100.9 Ų | 100.9 | 56% | 0.562 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -92 | -17.2 | 165.2 | -174.4 | -179.4 | 170.7 | -151.5 | 0.2 | 113.2 | I1723 E1724 E1725 D1731 | I1723-R1727 VanDerWaalsContact O-CA 3.23Å; I1723-R1727 WeakPolarHBondContact O-CA 3.07Å; I1723-R1727 WeakPolarHBondContact O-CB 3.48Å; I1723-R1727 PolarHBondContact O-N 2.96Å; E1724-R1727 CarbonylContact O-C 3.56Å; E1725-R1727 VanDerWaalsContact C-N 3.35Å; R1727-D1731 WeakPolarHBondContact CG-OD1 3.19Å; R1727-D1731 IonicContact NE-OD1 3.6Å; R1727-D1731 IonicContact NE-OD2 3.47Å; R1727-D1731 VanDerWaalsContact O-CA 3.29Å; R1727-D1731 WeakPolarHBondContact O-CA 3.38Å; R1727-D1731 WeakPolarHBondContact O-CB 3.48Å; R1727-D1731 PolarHBondContact O-N 3.26Å |
| 1728 | R | 70.7 | Confident | 64.3 | Low | 157 Ų | 157 | 98.7 Ų | 98.7 | 59% | 0.592 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -80.7 | -29.4 | 161.3 | -78.3 | 165.9 | -135.8 | 174.3 | 5.3 | 110.3 | E1724 A1732 | E1724-R1728 VanDerWaalsContact C-N 3.35Å; E1724-R1728 WeakPolarHBondContact O-CA 3.41Å; E1724-R1728 WeakPolarHBondContact O-CB 2.96Å; E1724-R1728 WeakPolarHBondContact O-CD 3.4Å; E1724-R1728 WeakPolarHBondContact O-CG 3.4Å; E1724-R1728 PolarHBondContact O-N 2.95Å; E1724-R1728 PolarHBondContact O-NE 3.31Å; E1724-R1728 IonicContact OE2-CZ 3.47Å; E1724-R1728 IonicContact OE2-NH2 2.83Å; E1724-R1728 PolarHBondContact OE2-NH2 3.35Å; R1728-A1732 VanDerWaalsContact O-CA 3.32Å; R1728-A1732 WeakPolarHBondContact O-CA 3.39Å; R1728-A1732 WeakPolarHBondContact O-CB 3.48Å; R1728-A1732 PolarHBondContact O-N 3.02Å |
| 1729 | Q | 61.8 | Low | 64.6 | Low | 109 Ų | 109 | 95.1 Ų | 95.1 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -80.2 | -29 | 168.8 | -71.9 | 178.3 | 34.4 | 0 | 0 | 111.4 | E1725 E1726 N1733 | E1725-Q1729 WeakPolarHBondContact O-CA 3.4Å; E1725-Q1729 WeakPolarHBondContact O-CB 3.23Å; E1725-Q1729 WeakPolarHBondContact O-CG 3.2Å; E1725-Q1729 PolarHBondContact O-N 2.84Å; E1726-Q1729 CarbonylContact O-C 3.29Å; Q1729-N1733 VanDerWaalsContact O-CA 3.3Å; Q1729-N1733 WeakPolarHBondContact O-CA 3.5Å; Q1729-N1733 WeakPolarHBondContact O-CB 3.34Å; Q1729-N1733 PolarHBondContact O-N 2.93Å; Q1729-N1733 PolarHBondContact O-ND2 2.74Å |
| 1730 | F | 62.9 | Low | 65 | Low | 126 Ų | 126 | 96.1 Ų | 96.1 | 55% | 0.553 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -80 | -43.1 | 171 | 179.1 | -80.5 | 0 | 0 | 0 | 110 | E1726 A1732 N1733 E1734 | E1726-F1730 VanDerWaalsContact O-CA 3.25Å; E1726-F1730 WeakPolarHBondContact O-CA 3.47Å; E1726-F1730 WeakPolarHBondContact O-CB 3.47Å; E1726-F1730 PolarHBondContact O-N 2.87Å; F1730-A1732 VanDerWaalsContact C-N 3.31Å; F1730-A1732 PolarHBondContact O-N 2.8Å; F1730-N1733 CarbonylContact O-C 3.58Å; F1730-N1733 VanDerWaalsContact O-C 3.28Å; F1730-N1733 PolarHBondContact O-N 3.37Å; F1730-E1734 HydrophobicContact CD1-CB 4.41Å; F1730-E1734 HydrophobicContact CE1-CB 4.36Å; F1730-E1734 WeakPolarHBondContact O-CA 3.12Å; F1730-E1734 WeakPolarHBondContact O-CB 3.39Å; F1730-E1734 PolarHBondContact O-N 3.32Å |
| 1731 | D | 67.2 | Low | 65.2 | Low | 61 Ų | 61 | 95.7 Ų | 95.7 | 33% | 0.326 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -31 | 170.7 | -64.1 | -3.7 | 0 | 0 | 0 | 110.5 | R1727 E1734 L1735 | R1727-D1731 WeakPolarHBondContact CG-OD1 3.19Å; R1727-D1731 IonicContact NE-OD1 3.6Å; R1727-D1731 IonicContact NE-OD2 3.47Å; R1727-D1731 VanDerWaalsContact O-CA 3.29Å; R1727-D1731 WeakPolarHBondContact O-CA 3.38Å; R1727-D1731 WeakPolarHBondContact O-CB 3.48Å; R1727-D1731 PolarHBondContact O-N 3.26Å; D1731-E1734 CarbonylContact O-C 3.59Å; D1731-L1735 WeakPolarHBondContact O-CB 3.33Å; D1731-L1735 WeakPolarHBondContact O-CD1 3.4Å; D1731-L1735 VanDerWaalsContact O-CG 3.3Å; D1731-L1735 WeakPolarHBondContact O-CG 3.12Å; D1731-L1735 PolarHBondContact O-N 3.37Å |
| 1732 | A | 65.9 | Low | 65.6 | Low | 43 Ų | 43 | 101.1 Ų | 101.1 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -80 | -26 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1728 F1730 E1734 R1736 | R1728-A1732 VanDerWaalsContact O-CA 3.32Å; R1728-A1732 WeakPolarHBondContact O-CA 3.39Å; R1728-A1732 WeakPolarHBondContact O-CB 3.48Å; R1728-A1732 PolarHBondContact O-N 3.02Å; F1730-A1732 VanDerWaalsContact C-N 3.31Å; F1730-A1732 PolarHBondContact O-N 2.8Å; A1732-E1734 VanDerWaalsContact C-N 3.35Å; A1732-R1736 WeakPolarHBondContact O-CA 3.34Å; A1732-R1736 WeakPolarHBondContact O-CB 3.44Å; A1732-R1736 WeakPolarHBondContact O-CG 3.28Å; A1732-R1736 PolarHBondContact O-N 2.85Å |
| 1733 | N | 59.6 | Low | 66.2 | Low | 75 Ų | 75 | 102.9 Ų | 102.9 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -83.5 | -12.5 | 168.6 | -71.9 | -27.7 | 0 | 0 | 0 | 111.5 | Q1729 F1730 R1736 L1737 | Q1729-N1733 VanDerWaalsContact O-CA 3.3Å; Q1729-N1733 WeakPolarHBondContact O-CA 3.5Å; Q1729-N1733 WeakPolarHBondContact O-CB 3.34Å; Q1729-N1733 PolarHBondContact O-N 2.93Å; Q1729-N1733 PolarHBondContact O-ND2 2.74Å; F1730-N1733 CarbonylContact O-C 3.58Å; F1730-N1733 VanDerWaalsContact O-C 3.28Å; F1730-N1733 PolarHBondContact O-N 3.37Å; N1733-R1736 CarbonylContact O-C 3.41Å; N1733-L1737 VanDerWaalsContact O-CA 3.31Å; N1733-L1737 WeakPolarHBondContact O-CA 3.29Å; N1733-L1737 WeakPolarHBondContact O-CB 3.47Å; N1733-L1737 VanDerWaalsContact O-CD1 3.26Å; N1733-L1737 WeakPolarHBondContact O-CD1 3.3Å; N1733-L1737 WeakPolarHBondContact O-CG 3.22Å; N1733-L1737 PolarHBondContact O-N 3.07Å |
| 1734 | E | 61.7 | Low | 66.7 | Low | 103 Ų | 103 | 101.5 Ų | 101.5 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -95.8 | -27.2 | 172.1 | -172.6 | 178.3 | -156 | 0 | 0 | 108.9 | F1730 D1731 A1732 S1738 | F1730-E1734 HydrophobicContact CD1-CB 4.41Å; F1730-E1734 HydrophobicContact CE1-CB 4.36Å; F1730-E1734 WeakPolarHBondContact O-CA 3.12Å; F1730-E1734 WeakPolarHBondContact O-CB 3.39Å; F1730-E1734 PolarHBondContact O-N 3.32Å; D1731-E1734 CarbonylContact O-C 3.59Å; A1732-E1734 VanDerWaalsContact C-N 3.35Å; E1734-S1738 WeakPolarHBondContact O-CA 3.4Å; E1734-S1738 WeakPolarHBondContact O-CB 3.38Å; E1734-S1738 PolarHBondContact O-N 3.36Å; E1734-S1738 PolarHBondContact O-OG 3.02Å |
| 1735 | L | 68 | Low | 66.9 | Low | 119 Ų | 119 | 100.3 Ų | 100.3 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.9 | -32.1 | 159.8 | -81.5 | 160.7 | 0 | 0 | 0 | 111.6 | D1731 S1738 S1739 | D1731-L1735 WeakPolarHBondContact O-CB 3.33Å; D1731-L1735 WeakPolarHBondContact O-CD1 3.4Å; D1731-L1735 VanDerWaalsContact O-CG 3.3Å; D1731-L1735 WeakPolarHBondContact O-CG 3.12Å; D1731-L1735 PolarHBondContact O-N 3.37Å; L1735-S1738 WeakPolarHBondContact CA-OG 3.42Å; L1735-S1739 WeakPolarHBondContact O-CA 3.13Å; L1735-S1739 WeakPolarHBondContact O-CB 3.27Å; L1735-S1739 PolarHBondContact O-N 2.88Å; L1735-S1739 PolarHBondContact O-OG 2.81Å |
| 1736 | R | 66.2 | Low | 67.5 | Low | 141 Ų | 141 | 99.4 Ų | 99.4 | 53% | 0.532 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -80.1 | -31.7 | 168.2 | -71.6 | 171.4 | 79.4 | 174.1 | 6.7 | 112 | A1732 N1733 S1739 F1740 | A1732-R1736 WeakPolarHBondContact O-CA 3.34Å; A1732-R1736 WeakPolarHBondContact O-CB 3.44Å; A1732-R1736 WeakPolarHBondContact O-CG 3.28Å; A1732-R1736 PolarHBondContact O-N 2.85Å; N1733-R1736 CarbonylContact O-C 3.41Å; R1736-S1739 WeakPolarHBondContact CA-OG 3.2Å; R1736-S1739 PolarHBondContact O-OG 2.84Å; R1736-F1740 HydrophobicContact CB-CD2 4.27Å; R1736-F1740 HydrophobicContact CB-CE2 4.19Å; R1736-F1740 WeakPolarHBondContact O-CA 3.31Å; R1736-F1740 WeakPolarHBondContact O-CB 3.5Å; R1736-F1740 WeakPolarHBondContact O-CD2 3.28Å; R1736-F1740 WeakPolarHBondContact O-CG 3.47Å; R1736-F1740 PolarHBondContact O-N 2.96Å |
| 1737 | L | 61.8 | Low | 68.2 | Low | 116 Ų | 116 | 96.7 Ų | 96.7 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -77.9 | -26.7 | 171.5 | -79.5 | 161.2 | 0 | 0 | 0 | 110.9 | N1733 S1741 | N1733-L1737 VanDerWaalsContact O-CA 3.31Å; N1733-L1737 WeakPolarHBondContact O-CA 3.29Å; N1733-L1737 WeakPolarHBondContact O-CB 3.47Å; N1733-L1737 VanDerWaalsContact O-CD1 3.26Å; N1733-L1737 WeakPolarHBondContact O-CD1 3.3Å; N1733-L1737 WeakPolarHBondContact O-CG 3.22Å; N1733-L1737 PolarHBondContact O-N 3.07Å; L1737-S1741 VanDerWaalsContact O-CA 3.29Å; L1737-S1741 WeakPolarHBondContact O-CA 3.41Å; L1737-S1741 WeakPolarHBondContact O-CB 3.24Å; L1737-S1741 PolarHBondContact O-N 3.48Å |
| 1738 | S | 68.6 | Low | 68.6 | Low | 52 Ų | 52 | 94.3 Ų | 94.3 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -85.7 | -24.1 | 170 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | E1734 L1735 K1742 | E1734-S1738 WeakPolarHBondContact O-CA 3.4Å; E1734-S1738 WeakPolarHBondContact O-CB 3.38Å; E1734-S1738 PolarHBondContact O-N 3.36Å; E1734-S1738 PolarHBondContact O-OG 3.02Å; L1735-S1738 WeakPolarHBondContact CA-OG 3.42Å; S1738-K1742 WeakPolarHBondContact O-CB 3.49Å; S1738-K1742 VanDerWaalsContact O-CG 3.29Å; S1738-K1742 WeakPolarHBondContact O-CG 3.47Å; S1738-K1742 PolarHBondContact O-N 3.25Å |
| 1739 | S | 71.8 | Confident | 68.8 | Low | 59 Ų | 59 | 91.4 Ų | 91.4 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -77.7 | -36.2 | 165.8 | 81.1 | 0 | 0 | 0 | 0 | 111.4 | L1735 R1736 K1742 L1743 | L1735-S1739 WeakPolarHBondContact O-CA 3.13Å; L1735-S1739 WeakPolarHBondContact O-CB 3.27Å; L1735-S1739 PolarHBondContact O-N 2.88Å; L1735-S1739 PolarHBondContact O-OG 2.81Å; R1736-S1739 WeakPolarHBondContact CA-OG 3.2Å; R1736-S1739 PolarHBondContact O-OG 2.84Å; S1739-K1742 CarbonylContact O-C 3.51Å; S1739-K1742 PolarHBondContact O-N 2.91Å; S1739-L1743 WeakPolarHBondContact O-CA 3.27Å; S1739-L1743 WeakPolarHBondContact O-CB 3.46Å; S1739-L1743 PolarHBondContact O-N 2.92Å |
| 1740 | F | 70 | Confident | 69.6 | Low | 102 Ų | 102 | 93.8 Ų | 93.8 | 45% | 0.447 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.9 | -25.6 | 169 | -67.7 | -41 | 0 | 0 | 0 | 112.4 | R1736 L1743 T1744 | R1736-F1740 HydrophobicContact CB-CD2 4.27Å; R1736-F1740 HydrophobicContact CB-CE2 4.19Å; R1736-F1740 WeakPolarHBondContact O-CA 3.31Å; R1736-F1740 WeakPolarHBondContact O-CB 3.5Å; R1736-F1740 WeakPolarHBondContact O-CD2 3.28Å; R1736-F1740 WeakPolarHBondContact O-CG 3.47Å; R1736-F1740 PolarHBondContact O-N 2.96Å; F1740-L1743 HydrophobicContact CD1-CD2 4.44Å; F1740-L1743 CarbonylContact O-C 3.54Å; F1740-L1743 PolarHBondContact O-N 2.79Å; F1740-T1744 WeakPolarHBondContact O-CB 3.37Å; F1740-T1744 WeakPolarHBondContact O-CG2 3.47Å; F1740-T1744 PolarHBondContact O-N 2.93Å; F1740-T1744 PolarHBondContact O-OG1 3.45Å |
| 1741 | S | 70.2 | Confident | 70.2 | Confident | 71 Ų | 71 | 92.8 Ų | 92.8 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.8 | -34.7 | 169.5 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | L1737 L1743 T1744 A1745 | L1737-S1741 VanDerWaalsContact O-CA 3.29Å; L1737-S1741 WeakPolarHBondContact O-CA 3.41Å; L1737-S1741 WeakPolarHBondContact O-CB 3.24Å; L1737-S1741 PolarHBondContact O-N 3.48Å; S1741-L1743 VanDerWaalsContact C-N 3.35Å; S1741-T1744 WeakPolarHBondContact CA-OG1 3.35Å; S1741-A1745 WeakPolarHBondContact O-CA 3.42Å; S1741-A1745 WeakPolarHBondContact O-CB 3.48Å; S1741-A1745 PolarHBondContact O-N 2.97Å |
| 1742 | K | 75.8 | Confident | 70.6 | Confident | 162 Ų | 162 | 93.6 Ų | 93.6 | 70% | 0.704 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.1 | -35.3 | 163.4 | -82.8 | 179.1 | 175.3 | 176 | 0 | 112.1 | S1738 S1739 A1745 D1746 | S1738-K1742 WeakPolarHBondContact O-CB 3.49Å; S1738-K1742 VanDerWaalsContact O-CG 3.29Å; S1738-K1742 WeakPolarHBondContact O-CG 3.47Å; S1738-K1742 PolarHBondContact O-N 3.25Å; S1739-K1742 CarbonylContact O-C 3.51Å; S1739-K1742 PolarHBondContact O-N 2.91Å; K1742-A1745 PolarHBondContact O-N 3.02Å; K1742-D1746 WeakPolarHBondContact O-CB 3.5Å; K1742-D1746 PolarHBondContact O-N 2.77Å |
| 1743 | L | 73.6 | Confident | 71.1 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.9 | -37.2 | 177.6 | -157.2 | 84.4 | 0 | 0 | 0 | 110.2 | S1739 F1740 S1741 L1747 | S1739-L1743 WeakPolarHBondContact O-CA 3.27Å; S1739-L1743 WeakPolarHBondContact O-CB 3.46Å; S1739-L1743 PolarHBondContact O-N 2.92Å; F1740-L1743 HydrophobicContact CD1-CD2 4.44Å; F1740-L1743 CarbonylContact O-C 3.54Å; F1740-L1743 PolarHBondContact O-N 2.79Å; S1741-L1743 VanDerWaalsContact C-N 3.35Å; L1743-L1747 HydrophobicContact CD2-CD1 4.13Å; L1743-L1747 HydrophobicContact CG-CD1 4.05Å; L1743-L1747 HydrophobicContact CG-CG 4.49Å; L1743-L1747 WeakPolarHBondContact O-CA 3.39Å; L1743-L1747 WeakPolarHBondContact O-CB 3.26Å; L1743-L1747 WeakPolarHBondContact O-CD1 3.32Å; L1743-L1747 WeakPolarHBondContact O-CG 3.46Å; L1743-L1747 PolarHBondContact O-N 2.88Å |
| 1744 | T | 68.3 | Low | 71.9 | Confident | 72 Ų | 72 | 94 Ų | 94 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79 | -23.2 | 172.1 | 48 | 0 | 0 | 0 | 0 | 112.2 | F1740 S1741 N1748 | F1740-T1744 WeakPolarHBondContact O-CB 3.37Å; F1740-T1744 WeakPolarHBondContact O-CG2 3.47Å; F1740-T1744 PolarHBondContact O-N 2.93Å; F1740-T1744 PolarHBondContact O-OG1 3.45Å; S1741-T1744 WeakPolarHBondContact CA-OG1 3.35Å; T1744-N1748 WeakPolarHBondContact O-CA 3.36Å; T1744-N1748 WeakPolarHBondContact O-CB 3.31Å; T1744-N1748 PolarHBondContact O-N 2.89Å; T1744-N1748 PolarHBondContact O-ND2 2.79Å |
| 1745 | A | 72.3 | Confident | 72.5 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.4 | -40.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1741 K1742 N1748 V1749 | S1741-A1745 WeakPolarHBondContact O-CA 3.42Å; S1741-A1745 WeakPolarHBondContact O-CB 3.48Å; S1741-A1745 PolarHBondContact O-N 2.97Å; K1742-A1745 PolarHBondContact O-N 3.02Å; A1745-N1748 CarbonylContact O-C 3.55Å; A1745-N1748 PolarHBondContact O-N 2.84Å; A1745-V1749 VanDerWaalsContact O-CB 3.3Å; A1745-V1749 WeakPolarHBondContact O-CB 3.27Å; A1745-V1749 WeakPolarHBondContact O-CG2 3.45Å; A1745-V1749 PolarHBondContact O-N 2.94Å |
| 1746 | D | 77.1 | Confident | 73 | Confident | 85 Ų | 85 | 92.9 Ų | 92.9 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.1 | -37.7 | 174.3 | -168.8 | 69.1 | 0 | 0 | 0 | 111 | K1742 V1749 R1750 | K1742-D1746 WeakPolarHBondContact O-CB 3.5Å; K1742-D1746 PolarHBondContact O-N 2.77Å; D1746-V1749 PolarHBondContact O-N 2.8Å; D1746-R1750 VanDerWaalsContact O-CB 3.22Å; D1746-R1750 WeakPolarHBondContact O-CB 3.31Å; D1746-R1750 WeakPolarHBondContact O-CG 3.43Å; D1746-R1750 PolarHBondContact O-N 2.92Å; D1746-R1750 IonicContact OD2-NE 2.67Å |
| 1747 | L | 74.6 | Confident | 73.7 | Confident | 86 Ų | 86 | 91.6 Ų | 91.6 | 45% | 0.45 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 168 | -73.9 | 165 | 0 | 0 | 0 | 111.3 | L1743 R1750 L1751 | L1743-L1747 HydrophobicContact CD2-CD1 4.13Å; L1743-L1747 HydrophobicContact CG-CD1 4.05Å; L1743-L1747 HydrophobicContact CG-CG 4.49Å; L1743-L1747 WeakPolarHBondContact O-CA 3.39Å; L1743-L1747 WeakPolarHBondContact O-CB 3.26Å; L1743-L1747 WeakPolarHBondContact O-CD1 3.32Å; L1743-L1747 WeakPolarHBondContact O-CG 3.46Å; L1743-L1747 PolarHBondContact O-N 2.88Å; L1747-R1750 CarbonylContact O-C 3.59Å; L1747-R1750 PolarHBondContact O-N 2.93Å; L1747-L1751 WeakPolarHBondContact O-CA 3.2Å; L1747-L1751 WeakPolarHBondContact O-CB 3.43Å; L1747-L1751 PolarHBondContact O-N 2.94Å |
| 1748 | N | 72.3 | Confident | 74.3 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.1 | -30.2 | 173.2 | -79.3 | -26.7 | 0 | 0 | 0 | 111.9 | T1744 A1745 L1751 D1752 | T1744-N1748 WeakPolarHBondContact O-CA 3.36Å; T1744-N1748 WeakPolarHBondContact O-CB 3.31Å; T1744-N1748 PolarHBondContact O-N 2.89Å; T1744-N1748 PolarHBondContact O-ND2 2.79Å; A1745-N1748 CarbonylContact O-C 3.55Å; A1745-N1748 PolarHBondContact O-N 2.84Å; N1748-L1751 PolarHBondContact O-N 3.4Å; N1748-D1752 WeakPolarHBondContact O-CA 3.18Å; N1748-D1752 WeakPolarHBondContact O-CB 3.44Å; N1748-D1752 PolarHBondContact O-N 3.41Å |
| 1749 | V | 76.2 | Confident | 74.6 | Confident | 96 Ų | 96 | 91.8 Ų | 91.8 | 58% | 0.582 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.2 | -37.5 | 170.9 | 164.7 | 0 | 0 | 0 | 0 | 110.1 | A1745 D1746 A1753 | A1745-V1749 VanDerWaalsContact O-CB 3.3Å; A1745-V1749 WeakPolarHBondContact O-CB 3.27Å; A1745-V1749 WeakPolarHBondContact O-CG2 3.45Å; A1745-V1749 PolarHBondContact O-N 2.94Å; D1746-V1749 PolarHBondContact O-N 2.8Å; V1749-A1753 WeakPolarHBondContact O-CA 3.24Å; V1749-A1753 WeakPolarHBondContact O-CB 3.38Å; V1749-A1753 PolarHBondContact O-N 3.31Å |
| 1750 | R | 78.4 | Confident | 74.9 | Confident | 160 Ų | 160 | 91.9 Ų | 91.9 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.6 | -35.1 | 169.9 | -77.3 | 171.2 | 156.7 | -142.1 | -7 | 112.1 | D1746 L1747 C1754 | D1746-R1750 VanDerWaalsContact O-CB 3.22Å; D1746-R1750 WeakPolarHBondContact O-CB 3.31Å; D1746-R1750 WeakPolarHBondContact O-CG 3.43Å; D1746-R1750 PolarHBondContact O-N 2.92Å; D1746-R1750 IonicContact OD2-NE 2.67Å; L1747-R1750 CarbonylContact O-C 3.59Å; L1747-R1750 PolarHBondContact O-N 2.93Å; R1750-C1754 WeakPolarHBondContact O-CB 3.19Å; R1750-C1754 PolarHBondContact O-N 2.89Å; R1750-C1754 PolarHBondContact O-SG 2.94Å |
| 1751 | L | 75 | Confident | 75.3 | Confident | 105 Ų | 105 | 91.8 Ų | 91.8 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72 | -45.5 | 176.6 | -162.6 | 84.5 | 0 | 0 | 0 | 108.6 | L1747 N1748 A1753 C1754 T1755 | L1747-L1751 WeakPolarHBondContact O-CA 3.2Å; L1747-L1751 WeakPolarHBondContact O-CB 3.43Å; L1747-L1751 PolarHBondContact O-N 2.94Å; N1748-L1751 PolarHBondContact O-N 3.4Å; L1751-A1753 VanDerWaalsContact C-N 3.33Å; L1751-A1753 PolarHBondContact O-N 3.35Å; L1751-C1754 CarbonylContact O-C 3.6Å; L1751-C1754 PolarHBondContact O-N 3.04Å; L1751-T1755 WeakPolarHBondContact O-CA 3.41Å; L1751-T1755 WeakPolarHBondContact O-CB 3.33Å; L1751-T1755 PolarHBondContact O-N 2.04Å; L1751-T1755 PolarHBondContact O-OG1 2.88Å |
| 1752 | D | 75.2 | Confident | 75.3 | Confident | 78 Ų | 78 | 91.7 Ų | 91.7 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -30 | 174.9 | -174.1 | 53.3 | 0 | 0 | 0 | 111.7 | N1748 K1756 | N1748-D1752 WeakPolarHBondContact O-CA 3.18Å; N1748-D1752 WeakPolarHBondContact O-CB 3.44Å; N1748-D1752 PolarHBondContact O-N 3.41Å; D1752-K1756 WeakPolarHBondContact O-CB 3.35Å; D1752-K1756 WeakPolarHBondContact O-CD 3.44Å; D1752-K1756 WeakPolarHBondContact O-CG 3.44Å; D1752-K1756 PolarHBondContact O-N 3.23Å; D1752-K1756 IonicContact OD1-NZ 2.77Å; D1752-K1756 WeakPolarHBondContact OD2-CE 3.3Å; D1752-K1756 IonicContact OD2-NZ 3.81Å; D1752-K1756 PolarHBondContact OD2-NZ 2.85Å |
| 1753 | A | 77.5 | Confident | 75.2 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.1 | -39.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1749 L1751 F1757 | V1749-A1753 WeakPolarHBondContact O-CA 3.24Å; V1749-A1753 WeakPolarHBondContact O-CB 3.38Å; V1749-A1753 PolarHBondContact O-N 3.31Å; L1751-A1753 VanDerWaalsContact C-N 3.33Å; L1751-A1753 PolarHBondContact O-N 3.35Å; A1753-F1757 WeakPolarHBondContact O-CB 3.09Å; A1753-F1757 PolarHBondContact O-N 2.69Å |
| 1754 | C | 74.9 | Confident | 75.3 | Confident | 70 Ų | 70 | 89.5 Ų | 89.5 | 47% | 0.473 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.6 | -34.9 | 172 | -81.3 | 0 | 0 | 0 | 0 | 111.3 | R1750 L1751 F1757 I1758 | R1750-C1754 WeakPolarHBondContact O-CB 3.19Å; R1750-C1754 PolarHBondContact O-N 2.89Å; R1750-C1754 PolarHBondContact O-SG 2.94Å; L1751-C1754 CarbonylContact O-C 3.6Å; L1751-C1754 PolarHBondContact O-N 3.04Å; C1754-F1757 CarbonylContact O-C 3.01Å; C1754-F1757 PolarHBondContact O-N 2.87Å; C1754-I1758 WeakPolarHBondContact O-CA 3.3Å; C1754-I1758 WeakPolarHBondContact O-CB 3.27Å; C1754-I1758 WeakPolarHBondContact O-CD1 3.49Å; C1754-I1758 WeakPolarHBondContact O-CG1 3.31Å; C1754-I1758 PolarHBondContact O-N 2.78Å |
| 1755 | T | 74 | Confident | 75.3 | Confident | 73 Ų | 73 | 93 Ų | 93 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.2 | -36.6 | 177 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | L1751 D1759 | L1751-T1755 WeakPolarHBondContact O-CA 3.41Å; L1751-T1755 WeakPolarHBondContact O-CB 3.33Å; L1751-T1755 PolarHBondContact O-N 2.04Å; L1751-T1755 PolarHBondContact O-OG1 2.88Å; T1755-D1759 WeakPolarHBondContact O-CA 3.28Å; T1755-D1759 WeakPolarHBondContact O-CB 3.33Å; T1755-D1759 PolarHBondContact O-N 2.88Å |
| 1756 | K | 79.6 | Confident | 74.9 | Confident | 125 Ų | 125 | 97.1 Ų | 97.1 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.1 | -32.6 | 167 | -76.5 | 164.5 | -179.4 | 157.6 | 0 | 112.3 | D1752 S1760 | D1752-K1756 WeakPolarHBondContact O-CB 3.35Å; D1752-K1756 WeakPolarHBondContact O-CD 3.44Å; D1752-K1756 WeakPolarHBondContact O-CG 3.44Å; D1752-K1756 PolarHBondContact O-N 3.23Å; D1752-K1756 IonicContact OD1-NZ 2.77Å; D1752-K1756 WeakPolarHBondContact OD2-CE 3.3Å; D1752-K1756 IonicContact OD2-NZ 3.81Å; D1752-K1756 PolarHBondContact OD2-NZ 2.85Å; K1756-S1760 WeakPolarHBondContact O-CB 3.47Å; K1756-S1760 PolarHBondContact O-N 3.07Å; K1756-S1760 PolarHBondContact O-OG 3.42Å |
| 1757 | F | 81.2 | Confident | 74.4 | Confident | 115 Ų | 115 | 100.6 Ų | 100.6 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.9 | -42.6 | 174.1 | -177.8 | -100.9 | 0 | 0 | 0 | 111.1 | A1753 C1754 S1760 R1761 | A1753-F1757 WeakPolarHBondContact O-CB 3.09Å; A1753-F1757 PolarHBondContact O-N 2.69Å; C1754-F1757 CarbonylContact O-C 3.01Å; C1754-F1757 PolarHBondContact O-N 2.87Å; F1757-S1760 WeakPolarHBondContact CA-OG 3.4Å; F1757-S1760 PolarHBondContact O-N 2.84Å; F1757-S1760 PolarHBondContact O-OG 2.92Å; F1757-R1761 HydrophobicContact CD1-CG 4.1Å; F1757-R1761 HydrophobicContact CE1-CG 3.79Å; F1757-R1761 HydrophobicContact CE2-CG 4.3Å; F1757-R1761 HydrophobicContact CG-CG 4.5Å; F1757-R1761 HydrophobicContact CZ-CG 3.92Å; F1757-R1761 WeakPolarHBondContact O-CB 3.32Å; F1757-R1761 WeakPolarHBondContact O-CG 3.06Å; F1757-R1761 PolarHBondContact O-N 2.65Å |
| 1758 | I | 74.7 | Confident | 73.3 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 173.3 | -72.6 | 162.8 | 0 | 0 | 0 | 109.3 | C1754 S1760 R1761 V1762 | C1754-I1758 WeakPolarHBondContact O-CA 3.3Å; C1754-I1758 WeakPolarHBondContact O-CB 3.27Å; C1754-I1758 WeakPolarHBondContact O-CD1 3.49Å; C1754-I1758 WeakPolarHBondContact O-CG1 3.31Å; C1754-I1758 PolarHBondContact O-N 2.78Å; I1758-S1760 PolarHBondContact O-N 3.46Å; I1758-R1761 CarbonylContact O-C 2.96Å; I1758-R1761 WeakPolarHBondContact O-CA 3.35Å; I1758-R1761 PolarHBondContact O-N 3.05Å; I1758-R1761 VanDerWaalsContact O-N 3.11Å; I1758-V1762 HydrophobicContact CG2-CG2 4.01Å; I1758-V1762 WeakPolarHBondContact O-CA 3.27Å; I1758-V1762 VanDerWaalsContact O-CB 3.24Å; I1758-V1762 WeakPolarHBondContact O-CB 3.49Å; I1758-V1762 WeakPolarHBondContact O-CG2 3.26Å; I1758-V1762 PolarHBondContact O-N 2.96Å |
| 1759 | D | 74.3 | Confident | 71.6 | Confident | 70 Ų | 70 | 106.2 Ų | 106.2 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -34 | 177.9 | -177.5 | 59.9 | 0 | 0 | 0 | 111.8 | T1755 K1763 | T1755-D1759 WeakPolarHBondContact O-CA 3.28Å; T1755-D1759 WeakPolarHBondContact O-CB 3.33Å; T1755-D1759 PolarHBondContact O-N 2.88Å; D1759-K1763 WeakPolarHBondContact O-CB 3.44Å; D1759-K1763 WeakPolarHBondContact O-CD 3.49Å; D1759-K1763 WeakPolarHBondContact O-CG 3.45Å; D1759-K1763 PolarHBondContact O-N 3.31Å; D1759-K1763 IonicContact OD1-NZ 2.89Å; D1759-K1763 PolarHBondContact OD1-NZ 3.11Å; D1759-K1763 IonicContact OD2-NZ 3.6Å; D1759-K1763 PolarHBondContact OD2-NZ 3.18Å |
| 1760 | S | 78.6 | Confident | 71.3 | Confident | 62 Ų | 62 | 106.8 Ų | 106.8 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.1 | -28.6 | 169.3 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | K1756 F1757 I1758 F1764 | K1756-S1760 WeakPolarHBondContact O-CB 3.47Å; K1756-S1760 PolarHBondContact O-N 3.07Å; K1756-S1760 PolarHBondContact O-OG 3.42Å; F1757-S1760 WeakPolarHBondContact CA-OG 3.4Å; F1757-S1760 PolarHBondContact O-N 2.84Å; F1757-S1760 PolarHBondContact O-OG 2.92Å; I1758-S1760 PolarHBondContact O-N 3.46Å; S1760-F1764 WeakPolarHBondContact O-CB 3.33Å; S1760-F1764 PolarHBondContact O-N 2.91Å |
| 1761 | R | 78.1 | Confident | 71 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 38% | 0.377 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.6 | -38.2 | 172.3 | -81.2 | -70.1 | -168.4 | 159.7 | 0.8 | 111.9 | F1757 I1758 F1764 Y1765 | F1757-R1761 HydrophobicContact CD1-CG 4.1Å; F1757-R1761 HydrophobicContact CE1-CG 3.79Å; F1757-R1761 HydrophobicContact CE2-CG 4.3Å; F1757-R1761 HydrophobicContact CG-CG 4.5Å; F1757-R1761 HydrophobicContact CZ-CG 3.92Å; F1757-R1761 WeakPolarHBondContact O-CB 3.32Å; F1757-R1761 WeakPolarHBondContact O-CG 3.06Å; F1757-R1761 PolarHBondContact O-N 2.65Å; I1758-R1761 CarbonylContact O-C 2.96Å; I1758-R1761 WeakPolarHBondContact O-CA 3.35Å; I1758-R1761 PolarHBondContact O-N 3.05Å; I1758-R1761 VanDerWaalsContact O-N 3.11Å; R1761-F1764 CarbonylContact O-C 3.52Å; R1761-F1764 WeakPolarHBondContact O-CB 3.48Å; R1761-F1764 PolarHBondContact O-N 3.44Å; R1761-Y1765 HydrophobicContact CB-CD2 4.38Å; R1761-Y1765 HydrophobicContact CB-CE2 4.14Å; R1761-Y1765 PolarHBondContact NH1-OH 3.28Å; R1761-Y1765 VanDerWaalsContact NH1-OH 3.1Å; R1761-Y1765 WeakPolarHBondContact O-CB 3.48Å; R1761-Y1765 WeakPolarHBondContact O-CD2 3.41Å; R1761-Y1765 PolarHBondContact O-N 2.93Å |
| 1762 | V | 70.2 | Confident | 70.7 | Confident | 68 Ų | 68 | 103.9 Ų | 103.9 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.6 | -48.4 | 172.4 | 166.9 | 0 | 0 | 0 | 0 | 107.7 | I1758 F1764 Y1765 E1766 | I1758-V1762 HydrophobicContact CG2-CG2 4.01Å; I1758-V1762 WeakPolarHBondContact O-CA 3.27Å; I1758-V1762 VanDerWaalsContact O-CB 3.24Å; I1758-V1762 WeakPolarHBondContact O-CB 3.49Å; I1758-V1762 WeakPolarHBondContact O-CG2 3.26Å; I1758-V1762 PolarHBondContact O-N 2.96Å; V1762-F1764 VanDerWaalsContact C-N 3.32Å; V1762-F1764 PolarHBondContact O-N 3.03Å; V1762-Y1765 CarbonylContact O-C 3.6Å; V1762-Y1765 PolarHBondContact O-N 2.84Å; V1762-E1766 HydrophobicContact CG1-CG 4.3Å; V1762-E1766 VanDerWaalsContact O-CB 3.32Å; V1762-E1766 WeakPolarHBondContact O-CB 3.49Å; V1762-E1766 WeakPolarHBondContact O-CG 3.47Å; V1762-E1766 PolarHBondContact O-N 2.9Å |
| 1763 | K | 73.2 | Confident | 70.5 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 43% | 0.426 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -36.9 | 171.5 | -76.6 | 164 | 178.5 | 143.1 | 0 | 113.2 | D1759 H1767 | D1759-K1763 WeakPolarHBondContact O-CB 3.44Å; D1759-K1763 WeakPolarHBondContact O-CD 3.49Å; D1759-K1763 WeakPolarHBondContact O-CG 3.45Å; D1759-K1763 PolarHBondContact O-N 3.31Å; D1759-K1763 IonicContact OD1-NZ 2.89Å; D1759-K1763 PolarHBondContact OD1-NZ 3.11Å; D1759-K1763 IonicContact OD2-NZ 3.6Å; D1759-K1763 PolarHBondContact OD2-NZ 3.18Å; K1763-H1767 WeakPolarHBondContact O-CB 3.44Å; K1763-H1767 PolarHBondContact O-N 3Å; K1763-H1767 PolarHBondContact O-ND1 3.44Å |
| 1764 | F | 74.8 | Confident | 70 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 173.9 | 176 | -94.2 | 0 | 0 | 0 | 111.5 | S1760 R1761 V1762 H1767 C1768 | S1760-F1764 WeakPolarHBondContact O-CB 3.33Å; S1760-F1764 PolarHBondContact O-N 2.91Å; R1761-F1764 CarbonylContact O-C 3.52Å; R1761-F1764 WeakPolarHBondContact O-CB 3.48Å; R1761-F1764 PolarHBondContact O-N 3.44Å; V1762-F1764 VanDerWaalsContact C-N 3.32Å; V1762-F1764 PolarHBondContact O-N 3.03Å; F1764-H1767 CarbonylContact O-C 3.59Å; F1764-H1767 PolarHBondContact O-N 2.93Å; F1764-C1768 WeakPolarHBondContact O-CB 3.39Å; F1764-C1768 PolarHBondContact O-N 2.77Å; F1764-C1768 PolarHBondContact O-SG 3.47Å; F1764-C1768 VanDerWaalsContact O-SG 3.41Å |
| 1765 | Y | 69.6 | Low | 69.7 | Low | 146 Ų | 146 | 111.1 Ų | 111.1 | 57% | 0.573 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -75.9 | -28 | 177.2 | -63.1 | -46 | 0 | 0 | 0 | 113.1 | R1761 V1762 H1767 C1768 | R1761-Y1765 HydrophobicContact CB-CD2 4.38Å; R1761-Y1765 HydrophobicContact CB-CE2 4.14Å; R1761-Y1765 PolarHBondContact NH1-OH 3.28Å; R1761-Y1765 VanDerWaalsContact NH1-OH 3.1Å; R1761-Y1765 WeakPolarHBondContact O-CB 3.48Å; R1761-Y1765 WeakPolarHBondContact O-CD2 3.41Å; R1761-Y1765 PolarHBondContact O-N 2.93Å; V1762-Y1765 CarbonylContact O-C 3.6Å; V1762-Y1765 PolarHBondContact O-N 2.84Å; Y1765-H1767 PolarHBondContact O-N 2.69Å; Y1765-C1768 PolarHBondContact O-N 3.07Å |
| 1766 | E | 62.9 | Low | 69.4 | Low | 135 Ų | 135 | 113.8 Ų | 113.8 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.1 | -20.1 | 168.5 | -80 | -176.9 | 133.8 | 0 | 0 | 112.3 | V1762 | V1762-E1766 HydrophobicContact CG1-CG 4.3Å; V1762-E1766 VanDerWaalsContact O-CB 3.32Å; V1762-E1766 WeakPolarHBondContact O-CB 3.49Å; V1762-E1766 WeakPolarHBondContact O-CG 3.47Å; V1762-E1766 PolarHBondContact O-N 2.9Å |
| 1767 | H | 66.5 | Low | 68.6 | Low | 158 Ų | 158 | 112.9 Ų | 112.9 | 73% | 0.731 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 13.6 | 179.4 | -63.7 | 77.1 | 0 | 0 | 0 | 113 | K1763 F1764 Y1765 | K1763-H1767 WeakPolarHBondContact O-CB 3.44Å; K1763-H1767 PolarHBondContact O-N 3Å; K1763-H1767 PolarHBondContact O-ND1 3.44Å; F1764-H1767 CarbonylContact O-C 3.59Å; F1764-H1767 PolarHBondContact O-N 2.93Å; Y1765-H1767 PolarHBondContact O-N 2.69Å |
| 1768 | C | 51.1 | Low | 67.6 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 43% | 0.432 | 56% | 0.557 | S | S | . | * | trans | -111.1 | 109.1 | 173 | -90.7 | 0 | 0 | 0 | 0 | 110.3 | F1764 Y1765 | F1764-C1768 WeakPolarHBondContact O-CB 3.39Å; F1764-C1768 PolarHBondContact O-N 2.77Å; F1764-C1768 PolarHBondContact O-SG 3.47Å; F1764-C1768 VanDerWaalsContact O-SG 3.41Å; Y1765-C1768 PolarHBondContact O-N 3.07Å | ||
| 1769 | D | 36.9 | Very low | 66.9 | Low | 240 Ų | 240 | 113.8 Ų | 113.8 | 100% | 1.283 | 56% | 0.56 | S | S | * | * | trans | -59.5 | 0 | 154.4 | -75.7 | -48.3 | 0 | 0 | 0 | 111.6 |
Retrieved 1,769 of 1,769 residues in 3580 ms
(Link to these results)