| 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 | 28.9 | Very low | 34.1 | Very low | 248 Ų | 248 | 122.1 Ų | 122.1 | 100% | 1.222 | 68% | 0.681 | S | S | * | * | 0 | 40.4 | 0 | -66.2 | -178.4 | 172.9 | 0 | 0 | 110.8 | |||||
| 2 | S | 24.5 | Very low | 34.8 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | trans | -71.8 | 178.1 | 153.7 | 49.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | D | 26.6 | Very low | 36.6 | Very low | 144 Ų | 144 | 119.9 Ų | 119.9 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | 68 | 72.7 | 162.1 | -45.4 | -49.5 | 0 | 0 | 0 | 116.2 | ||||
| 4 | T | 29.5 | Very low | 39.2 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -159.8 | 114 | 149.3 | -0.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 5 | F | 30.1 | Very low | 42 | Very low | 206 Ų | 206 | 116.7 Ų | 116.7 | 90% | 0.904 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 65.9 | 137.3 | 170.7 | -61.6 | -85.1 | 0 | 0 | 0 | 119.2 | ||
| 6 | G | 31.9 | Very low | 44.7 | Very low | 48 Ų | 48 | 109.8 Ų | 109.8 | 50% | 0.495 | 63% | 0.632 | S | S | . | * | trans | 116.9 | 81.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 7 | G | 30.7 | Very low | 47.2 | Very low | 61 Ų | 61 | 104.4 Ų | 104.4 | 63% | 0.629 | 60% | 0.6 | S | S | * | * | trans | -74.8 | 147.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 8 | K | 36.1 | Very low | 49.5 | Very low | 125 Ų | 125 | 100.9 Ų | 100.9 | 54% | 0.543 | 58% | 0.578 | S | S | . | * | trans | -70.6 | 127.8 | 163.3 | -90.7 | -172.5 | 161.6 | -123.4 | 0 | 109.8 | N10 | K8-N10 PolarHBondContact NZ-OD1 3.38Š| ||
| 9 | E | 37.9 | Very low | 51.7 | Low | 150 Ų | 150 | 98.4 Ų | 98.4 | 70% | 0.701 | 56% | 0.559 | S | S | * | * | trans | -118.4 | 81.3 | 150.9 | -73.3 | -175.7 | 173 | 0 | 0 | 107.9 | V11 | E9-V11 PolarHBondContact O-N 2.85Å; E9-V11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | N | 46.5 | Very low | 53.5 | Low | 80 Ų | 80 | 96.4 Ų | 96.4 | 43% | 0.428 | 55% | 0.549 | S | S | . | . | trans | -66.9 | 102.4 | 158.3 | -84.5 | 80.2 | 0 | 0 | 0 | 106.1 | K8 C12 | K8-N10 PolarHBondContact NZ-OD1 3.38Å; N10-C12 PolarHBondContact O-N 3.36Å | ||
| 11 | V | 52.1 | Low | 55.1 | Low | 70 Ų | 70 | 92.8 Ų | 92.8 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | trans | -60.5 | 121.6 | 172.4 | -180 | 0 | 0 | 0 | 0 | 107.2 | E9 G13 K14 | E9-V11 PolarHBondContact O-N 2.85Å; E9-V11 VanDerWaalsContact O-N 3.09Å; V11-G13 PolarHBondContact O-N 3.38Å; V11-G13 VanDerWaalsContact O-N 3.13Å; V11-K14 HydrophobicContact CB-CB 4.26Å; V11-K14 HydrophobicContact CB-CD 4.08Å; V11-K14 HydrophobicContact CB-CG 4.19Å; V11-K14 HydrophobicContact CG1-CD 4.08Å; V11-K14 HydrophobicContact CG1-CG 4.13Å; V11-K14 PolarHBondContact O-N 3.01Å | ||
| 12 | C | 43.2 | Very low | 57.6 | Low | 134 Ų | 134 | 88 Ų | 88 | 91% | 0.905 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 120.6 | -168.5 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | N10 | N10-C12 PolarHBondContact O-N 3.36Š|
| 13 | G | 57.6 | Low | 60.4 | Low | 82 Ų | 82 | 84.8 Ų | 84.8 | 85% | 0.845 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -5.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | V11 | V11-G13 PolarHBondContact O-N 3.38Å; V11-G13 VanDerWaalsContact O-N 3.13Å |
| 14 | K | 72.9 | Confident | 63.3 | Low | 63 Ų | 63 | 80 Ų | 80 | 27% | 0.274 | 46% | 0.458 | S | S | . | . | trans | -90.8 | 148.1 | 176.7 | -73.2 | -161.4 | 170.9 | -150.9 | 0 | 113.5 | V11 E356 D390 | V11-K14 HydrophobicContact CB-CB 4.26Å; V11-K14 HydrophobicContact CB-CD 4.08Å; V11-K14 HydrophobicContact CB-CG 4.19Å; V11-K14 HydrophobicContact CG1-CD 4.08Å; V11-K14 HydrophobicContact CG1-CG 4.13Å; V11-K14 PolarHBondContact O-N 3.01Å; K14-E356 IonicContact NZ-OE1 3.16Å; K14-E356 PolarHBondContact NZ-OE1 2.77Å; K14-D390 VanDerWaalsContact CA-OD1 3.25Å; K14-D390 WeakPolarHBondContact CA-OD1 3.38Å; K14-D390 WeakPolarHBondContact CB-OD1 3.23Å; K14-D390 HydrophobicContact CD-CB 3.94Å; K14-D390 WeakPolarHBondContact CE-O 2.96Å; K14-D390 HydrophobicContact CG-CB 4.21Å; K14-D390 PolarHBondContact NZ-O 2.81Å | ||
| 15 | K | 81.5 | Confident | 66.3 | Low | 128 Ų | 128 | 74.2 Ų | 74.2 | 56% | 0.557 | 42% | 0.422 | S | S | * | . | trans | -80.8 | -18 | 169.4 | -70.4 | 177.3 | 175.1 | 174.3 | 0 | 113.3 | E389 D390 | K15-E389 WeakPolarHBondContact CE-OE2 3.15Å; K15-E389 IonicContact NZ-OE1 3.71Å; K15-E389 PolarHBondContact NZ-OE1 2.97Å; K15-E389 IonicContact NZ-OE2 3.17Å; K15-E389 PolarHBondContact NZ-OE2 2.88Å; K15-D390 WeakPolarHBondContact CA-OD2 3.09Å; K15-D390 PolarHBondContact N-OD1 2.83Å; K15-D390 VanDerWaalsContact N-OD1 3.09Å; K15-D390 PolarHBondContact N-OD2 3.08Å | ||
| 16 | T | 84.9 | Confident | 69.1 | Low | 6 Ų | 6 | 66.1 Ų | 66.1 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | trans | -68.5 | 130.9 | -173.1 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | I18 I384 R385 H386 S387 D390 | T16-I18 HydrophobicContact CG2-CG1 4.47Å; T16-I384 HydrophobicContact CG2-CG2 3.52Å; T16-R385 CarbonylContact C-O 3.49Å; T16-R385 VanDerWaalsContact CA-O 3.3Å; T16-R385 WeakPolarHBondContact CA-O 3.46Å; T16-H386 WeakPolarHBondContact OG1-CA 3.5Å; T16-S387 PolarHBondContact OG1-N 3.31Å; T16-S387 VanDerWaalsContact OG1-N 3.15Å; T16-D390 WeakPolarHBondContact CA-OD2 3.13Å; T16-D390 VanDerWaalsContact CB-OD2 3.24Å; T16-D390 WeakPolarHBondContact CB-OD2 3.31Å; T16-D390 PolarHBondContact N-OD2 2.98Å; T16-D390 PolarHBondContact OG1-OD2 3.02Å | ||
| 17 | I | 88 | Confident | 72 | Confident | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.092 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.5 | -174.5 | -48.3 | 175.1 | 0 | 0 | 0 | 110 | E52 F55 I384 R385 | I17-E52 WeakPolarHBondContact CD1-O 3.39Å; I17-F55 HydrophobicContact CB-CE2 4.3Å; I17-F55 HydrophobicContact CG2-CD2 4.05Å; I17-F55 HydrophobicContact CG2-CE2 3.91Å; I17-I384 CarbonylContact O-C 3.34Å; I17-I384 WeakPolarHBondContact O-CA 3.26Å; I17-R385 HydrophobicContact CB-CB 4.29Å; I17-R385 PolarHBondContact N-O 2.94Å; I17-R385 PolarHBondContact O-N 3.29Å |
| 18 | I | 88.9 | Confident | 75.1 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132 | 178.8 | -60.1 | 170.9 | 0 | 0 | 0 | 110.2 | T16 L382 I384 | T16-I18 HydrophobicContact CG2-CG1 4.47Å; I18-L382 HydrophobicContact CG2-CD2 4.24Å; I18-I384 HydrophobicContact CG1-CD1 4.38Å; I18-I384 HydrophobicContact CG1-CG1 4.17Å; I18-I384 HydrophobicContact CG1-CG2 3.83Å; I18-I384 HydrophobicContact CG2-CG1 4.39Å |
| 19 | Y | 90.2 | Very high | 77.8 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 21% | 0.212 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.2 | 169.5 | -178.3 | -103.1 | 0 | 0 | 0 | 110.7 | T21 F48 L382 L383 | Y19-T21 HydrophobicContact CD1-CG2 3.94Å; Y19-T21 HydrophobicContact CE1-CG2 3.45Å; Y19-T21 VanDerWaalsContact CE1-CG2 3.45Å; Y19-F48 HydrophobicContact CD1-CE1 4.2Å; Y19-F48 AromaticContact CD1-CZ 3.9Å; Y19-F48 HydrophobicContact CD1-CZ 3.9Å; Y19-F48 AromaticContact CE1-CE1 3.61Å; Y19-F48 HydrophobicContact CE1-CE1 3.61Å; Y19-F48 HydrophobicContact CE1-CE2 4.36Å; Y19-F48 AromaticContact CE1-CZ 3.32Å; Y19-F48 HydrophobicContact CE1-CZ 3.32Å; Y19-F48 HydrophobicContact CE2-CE1 4.35Å; Y19-F48 AromaticContact CZ-CE1 3.7Å; Y19-F48 AromaticContact CZ-CZ 3.88Å; Y19-L382 WeakPolarHBondContact O-CA 3.02Å; Y19-L383 HydrophobicContact CD1-CB 4.42Å; Y19-L383 HydrophobicContact CD1-CD2 4.35Å; Y19-L383 PolarHBondContact N-O 3.35Å; Y19-L383 PolarHBondContact O-N 2.71Å |
| 20 | T | 88.9 | Confident | 80.3 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139 | -173.4 | 51 | 0 | 0 | 0 | 0 | 111.4 | L382 | T20-L382 HydrophobicContact CG2-CD2 3.63Å |
| 21 | T | 86.1 | Confident | 82.4 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 13% | 0.129 | 27% | 0.267 | C | S | . | . | trans | -129.8 | 150.4 | 175 | 65.8 | 0 | 0 | 0 | 0 | 113.1 | Y19 S23 L25 L44 G381 | Y19-T21 HydrophobicContact CD1-CG2 3.94Å; Y19-T21 HydrophobicContact CE1-CG2 3.45Å; Y19-T21 VanDerWaalsContact CE1-CG2 3.45Å; T21-S23 PolarHBondContact O-N 2.57Å; T21-S23 PolarHBondContact OG1-O 3.18Å; T21-S23 VanDerWaalsContact OG1-O 3.12Å; T21-L25 HydrophobicContact CG2-CD1 4.4Å; T21-L44 HydrophobicContact CG2-CD2 4.33Å; T21-G381 PolarHBondContact N-O 2.73Å; T21-G381 WeakPolarHBondContact OG1-CA 3.15Å; T21-G381 PolarHBondContact OG1-O 2.9Å | ||
| 22 | E | 81.1 | Confident | 83.9 | Confident | 148 Ų | 148 | 46.1 Ų | 46.1 | 69% | 0.692 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -66 | -2.9 | 178.8 | -50.6 | 164.4 | 106.2 | 0 | 0 | 114.2 | R60 K62 | E22-R60 IonicContact OE2-CZ 3.42Å; E22-R60 IonicContact OE2-NH1 3.14Å; E22-R60 IonicContact OE2-NH2 3.95Å; E22-R60 PolarHBondContact OE2-NH2 3.29Å; E22-K62 IonicContact OE1-NZ 3.71Å; E22-K62 IonicContact OE2-NZ 3.99Å; E22-K62 PolarHBondContact OE2-NZ 2.9Å |
| 23 | S | 84.7 | Confident | 85.7 | Confident | 23 Ų | 23 | 45 Ų | 45 | 16% | 0.161 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -146.1 | 139.9 | -164.3 | 65.2 | 0 | 0 | 0 | 0 | 112.8 | T21 L25 L44 | T21-S23 PolarHBondContact O-N 2.57Å; T21-S23 PolarHBondContact OG1-O 3.18Å; T21-S23 VanDerWaalsContact OG1-O 3.12Å; S23-L25 PolarHBondContact O-N 3.15Å; S23-L25 VanDerWaalsContact O-N 3.14Å; S23-L44 WeakPolarHBondContact OG-CD2 3.47Å |
| 24 | P | 87.7 | Confident | 86.8 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 28% | 0.279 | 22% | 0.216 | S | C | . | . | trans | -62.3 | 118.1 | -178.5 | 26.8 | -36.2 | 0 | 0 | 0 | 111 | M26 G41 R379 | P24-M26 HydrophobicContact CB-CE 4.01Å; P24-G41 VanDerWaalsContact O-CA 3.31Å; P24-G41 WeakPolarHBondContact O-CA 2.95Å; P24-R379 WeakPolarHBondContact CA-O 3.3Å; P24-R379 VanDerWaalsContact CB-O 3.26Å; P24-R379 WeakPolarHBondContact CB-O 3.48Å | ||
| 25 | L | 90.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 147.1 | 174.7 | -58.4 | 176.4 | 0 | 0 | 0 | 109.4 | T21 S23 V39 L44 T362 V377 G378 L383 | T21-L25 HydrophobicContact CG2-CD1 4.4Å; S23-L25 PolarHBondContact O-N 3.15Å; S23-L25 VanDerWaalsContact O-N 3.14Å; L25-V39 HydrophobicContact CD1-CG2 4.4Å; L25-V39 HydrophobicContact CD2-CB 4.44Å; L25-V39 HydrophobicContact CD2-CG2 3.99Å; L25-L44 HydrophobicContact CD2-CD2 4.15Å; L25-T362 WeakPolarHBondContact O-CG2 3.35Å; L25-T362 PolarHBondContact O-OG1 3.34Å; L25-V377 HydrophobicContact CB-CG1 3.28Å; L25-V377 HydrophobicContact CD1-CG1 3.95Å; L25-V377 HydrophobicContact CG-CG1 4.25Å; L25-G378 PolarHBondContact N-O 3.15Å; L25-L383 HydrophobicContact CD1-CB 4.32Å |
| 26 | M | 90.4 | Very high | 87.6 | Confident | 36 Ų | 36 | 37.9 Ų | 37.9 | 18% | 0.177 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | -27.2 | -169.9 | -54.8 | -81.9 | 87.1 | 0 | 0 | 113.4 | P24 A40 R42 T362 R379 | P24-M26 HydrophobicContact CB-CE 4.01Å; M26-A40 PolarHBondContact N-O 2.98Å; M26-R42 HydrophobicContact CG-CG 4.43Å; M26-R42 HydrophobicContact SD-CG 4.19Å; M26-T362 VanDerWaalsContact C-OG1 3.27Å; M26-T362 HydrophobicContact CE-CG2 4.31Å; M26-T362 WeakPolarHBondContact O-CB 3.41Å; M26-T362 PolarHBondContact O-OG1 3.19Å; M26-R379 HydrophobicContact CE-CG 3.81Å |
| 27 | C | 92.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 161 | -173.6 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | A40 | C27-A40 PolarHBondContact N-O 2.68Å; C27-A40 VanDerWaalsContact N-O 3.15Å; C27-A40 PolarHBondContact O-N 2.91Å |
| 28 | M | 94.5 | Very high | 88.1 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.034 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 147.8 | -174.8 | 168.6 | 177.3 | 59.1 | 0 | 0 | 111.2 | V37 A38 V39 C363 Y375 V377 L383 | M28-V37 HydrophobicContact CG-CG1 3.82Å; M28-V37 HydrophobicContact SD-CG1 3.64Å; M28-A38 CarbonylContact C-O 3.35Å; M28-A38 WeakPolarHBondContact CA-O 3.42Å; M28-V39 HydrophobicContact CB-CG1 4.19Å; M28-V39 HydrophobicContact CG-CG1 4.07Å; M28-V39 HydrophobicContact SD-CG1 4.27Å; M28-C363 HydrophobicContact CB-CB 4.46Å; M28-Y375 VanDerWaalsContact CE-CB 3.42Å; M28-Y375 WeakPolarHBondContact CE-O 3.22Å; M28-V377 HydrophobicContact CB-CB 4.36Å; M28-V377 HydrophobicContact CB-CG2 3.93Å; M28-V377 HydrophobicContact CE-CB 4.19Å; M28-V377 HydrophobicContact CE-CG2 3.63Å; M28-V377 HydrophobicContact CG-CG2 4.27Å; M28-V377 HydrophobicContact SD-CG2 3.45Å; M28-V377 WeakPolarHBondContact SD-CG2 3.31Å; M28-L383 HydrophobicContact SD-CD1 3.55Å; M28-L383 VanDerWaalsContact SD-CD1 3.55Å |
| 29 | A | 93.3 | Very high | 88.3 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A38 V126 W128 | A29-A38 PolarHBondContact N-O 3.32Å; A29-A38 PolarHBondContact O-N 3.09Å; A29-V126 HydrophobicContact CB-CB 4.27Å; A29-V126 HydrophobicContact CB-CG1 3.92Å; A29-W128 VanDerWaalsContact CB-CD1 3.43Å; A29-W128 HydrophobicContact CB-CG 4.48Å; A29-W128 PolarHBondContact O-NE1 2.8Å |
| 30 | V | 91.4 | Very high | 88.3 | Confident | 16 Ų | 16 | 32.1 Ų | 32.1 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 138.8 | 171.8 | -169.3 | 0 | 0 | 0 | 0 | 108.4 | M36 V37 P368 Y375 | V30-M36 CarbonylContact C-O 3.49Å; V30-M36 WeakPolarHBondContact CA-O 3.14Å; V30-V37 HydrophobicContact CG1-CG2 4.26Å; V30-V37 HydrophobicContact CG2-CG2 4.24Å; V30-P368 HydrophobicContact CG1-CG 4.31Å; V30-Y375 HydrophobicContact CG1-CE2 4.32Å; V30-Y375 HydrophobicContact CG2-CD2 3.66Å; V30-Y375 HydrophobicContact CG2-CE2 4.06Å; V30-Y375 HydrophobicContact CG2-CG 4.31Å |
| 31 | N | 89.4 | Confident | 88 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -73 | 161.3 | 176.9 | 78.2 | -20.6 | 0 | 0 | 0 | 111.3 | K33 A34 E35 M36 W128 | N31-K33 PolarHBondContact O-N 2.66Å; N31-K33 VanDerWaalsContact O-N 3.07Å; N31-A34 PolarHBondContact O-N 2.99Å; N31-A34 WeakPolarHBondContact OD1-CA 3.5Å; N31-A34 PolarHBondContact OD1-N 3.4Å; N31-A34 VanDerWaalsContact OD1-N 3.13Å; N31-E35 PolarHBondContact OD1-N 2.87Å; N31-E35 VanDerWaalsContact OD1-N 3.08Å; N31-M36 HydrophobicContact CB-CB 4.3Å; N31-M36 PolarHBondContact N-O 3.08Å; N31-M36 PolarHBondContact OD1-N 3.34Å; N31-M36 PolarHBondContact OD1-O 2.78Å; N31-W128 HydrophobicContact CB-CD2 3.76Å; N31-W128 HydrophobicContact CB-CE3 4.15Å; N31-W128 HydrophobicContact CB-CG 3.99Å; N31-W128 HydrophobicContact CB-CZ2 4.32Å | ||
| 32 | S | 83.7 | Confident | 87.6 | Confident | 74 Ų | 74 | 35.1 Ų | 35.1 | 52% | 0.517 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.2 | -176.7 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 33 | K | 81.8 | Confident | 87.2 | Confident | 111 Ų | 111 | 32.5 Ų | 32.5 | 48% | 0.483 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.5 | 178.6 | -53.3 | 171.3 | 177.2 | 171 | 0 | 114.5 | N31 E35 | N31-K33 PolarHBondContact O-N 2.66Å; N31-K33 VanDerWaalsContact O-N 3.07Å; K33-E35 HydrophobicContact CB-CB 4.4Å; K33-E35 HydrophobicContact CB-CG 3.87Å; K33-E35 HydrophobicContact CD-CG 4.24Å; K33-E35 WeakPolarHBondContact CD-OE2 3.33Å; K33-E35 IonicContact NZ-OE1 3.8Å; K33-E35 IonicContact NZ-OE2 2.91Å; K33-E35 PolarHBondContact NZ-OE2 3.02Å; K33-E35 PolarHBondContact O-N 3.45Å |
| 34 | A | 79.8 | Confident | 87.1 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 61.7 | -9.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | N31 M36 A369 | N31-A34 PolarHBondContact O-N 2.99Å; N31-A34 WeakPolarHBondContact OD1-CA 3.5Å; N31-A34 PolarHBondContact OD1-N 3.4Å; N31-A34 VanDerWaalsContact OD1-N 3.13Å; A34-M36 VanDerWaalsContact C-N 3.3Å; A34-M36 PolarHBondContact O-N 3.44Å; A34-A369 HydrophobicContact CB-CB 3.82Å |
| 35 | E | 82.4 | Confident | 87 | Confident | 93 Ų | 93 | 30.2 Ų | 30.2 | 44% | 0.435 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -55.9 | -34.5 | 176.6 | -64.4 | 171.4 | 169.7 | 0 | 0 | 114.4 | N31 K33 S49 V50 | N31-E35 PolarHBondContact OD1-N 2.87Å; N31-E35 VanDerWaalsContact OD1-N 3.08Å; K33-E35 HydrophobicContact CB-CB 4.4Å; K33-E35 HydrophobicContact CB-CG 3.87Å; K33-E35 HydrophobicContact CD-CG 4.24Å; K33-E35 WeakPolarHBondContact CD-OE2 3.33Å; K33-E35 IonicContact NZ-OE1 3.8Å; K33-E35 IonicContact NZ-OE2 2.91Å; K33-E35 PolarHBondContact NZ-OE2 3.02Å; K33-E35 PolarHBondContact O-N 3.45Å; E35-S49 CarbonylContact O-C 3.57Å; E35-S49 WeakPolarHBondContact O-CA 3.31Å; E35-S49 PolarHBondContact O-OG 2.83Å; E35-V50 PolarHBondContact O-N 3.26Å |
| 36 | M | 89.1 | Confident | 86.9 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138 | -169.9 | -69.3 | -170.5 | -75.2 | 0 | 0 | 114.2 | V30 N31 A34 V47 F48 L58 W128 D133 V149 | V30-M36 CarbonylContact C-O 3.49Å; V30-M36 WeakPolarHBondContact CA-O 3.14Å; N31-M36 HydrophobicContact CB-CB 4.3Å; N31-M36 PolarHBondContact N-O 3.08Å; N31-M36 PolarHBondContact OD1-N 3.34Å; N31-M36 PolarHBondContact OD1-O 2.78Å; A34-M36 VanDerWaalsContact C-N 3.3Å; A34-M36 PolarHBondContact O-N 3.44Å; M36-V47 HydrophobicContact SD-CG1 4.36Å; M36-F48 CarbonylContact C-O 3.52Å; M36-F48 VanDerWaalsContact CA-O 3.25Å; M36-F48 WeakPolarHBondContact CA-O 3.3Å; M36-L58 HydrophobicContact CG-CD1 4.16Å; M36-L58 HydrophobicContact SD-CD1 3.74Å; M36-W128 HydrophobicContact CB-CH2 4.1Å; M36-W128 HydrophobicContact CB-CZ2 3.91Å; M36-W128 HydrophobicContact CE-CH2 3.86Å; M36-W128 HydrophobicContact CE-CZ3 4.08Å; M36-W128 HydrophobicContact SD-CH2 4.06Å; M36-D133 HydrophobicContact CE-CB 4.07Å; M36-D133 VanDerWaalsContact CE-OD1 3.26Å; M36-D133 WeakPolarHBondContact CE-OD1 3.48Å; M36-V149 HydrophobicContact SD-CG1 4.26Å |
| 37 | V | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 116.9 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | M28 V30 V39 F48 V50 F55 Y375 L383 | M28-V37 HydrophobicContact CG-CG1 3.82Å; M28-V37 HydrophobicContact SD-CG1 3.64Å; V30-V37 HydrophobicContact CG1-CG2 4.26Å; V30-V37 HydrophobicContact CG2-CG2 4.24Å; V37-V39 HydrophobicContact CG1-CG1 4.14Å; V37-F48 PolarHBondContact N-O 3.16Å; V37-F48 PolarHBondContact O-N 2.87Å; V37-V50 HydrophobicContact CB-CG2 4.42Å; V37-V50 HydrophobicContact CG2-CG2 3.61Å; V37-F55 HydrophobicContact CG2-CE1 4.43Å; V37-Y375 HydrophobicContact CG2-CD1 4.35Å; V37-Y375 HydrophobicContact CG2-CE1 4.02Å; V37-L383 HydrophobicContact CG1-CD1 4.35Å |
| 38 | A | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | M28 A29 V47 V126 W128 L135 | M28-A38 CarbonylContact C-O 3.35Å; M28-A38 WeakPolarHBondContact CA-O 3.42Å; A29-A38 PolarHBondContact N-O 3.32Å; A29-A38 PolarHBondContact O-N 3.09Å; A38-V47 HydrophobicContact CB-CG2 4.02Å; A38-V126 HydrophobicContact CB-CG1 4.05Å; A38-W128 HydrophobicContact CB-CZ2 3.89Å; A38-L135 HydrophobicContact CB-CD1 4.13Å; A38-L135 HydrophobicContact CB-CD2 3.65Å |
| 39 | V | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.4 | 173.1 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | L25 M28 V37 F45 Q46 F48 V377 L383 | L25-V39 HydrophobicContact CD1-CG2 4.4Å; L25-V39 HydrophobicContact CD2-CB 4.44Å; L25-V39 HydrophobicContact CD2-CG2 3.99Å; M28-V39 HydrophobicContact CB-CG1 4.19Å; M28-V39 HydrophobicContact CG-CG1 4.07Å; M28-V39 HydrophobicContact SD-CG1 4.27Å; V37-V39 HydrophobicContact CG1-CG1 4.14Å; V39-F45 WeakPolarHBondContact O-CD2 3.34Å; V39-Q46 HydrophobicContact CG2-CB 4.21Å; V39-Q46 PolarHBondContact N-O 3.37Å; V39-Q46 PolarHBondContact O-N 2.85Å; V39-F48 HydrophobicContact CG2-CE2 3.79Å; V39-V377 HydrophobicContact CG1-CG2 4.17Å; V39-L383 HydrophobicContact CG1-CD1 4.21Å; V39-L383 HydrophobicContact CG1-CD2 4.04Å |
| 40 | A | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M26 C27 L44 F45 V123 V126 | M26-A40 PolarHBondContact N-O 2.98Å; C27-A40 PolarHBondContact N-O 2.68Å; C27-A40 VanDerWaalsContact N-O 3.15Å; C27-A40 PolarHBondContact O-N 2.91Å; A40-L44 CarbonylContact C-O 3.52Å; A40-L44 WeakPolarHBondContact CA-O 3.26Å; A40-F45 HydrophobicContact CB-CD2 3.91Å; A40-V123 HydrophobicContact CB-CB 3.72Å; A40-V123 HydrophobicContact CB-CG1 3.61Å; A40-V123 HydrophobicContact CB-CG2 4.17Å; A40-V126 HydrophobicContact CB-CG2 3.87Å |
| 41 | G | 84.1 | Confident | 85.3 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | -168 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P24 N43 L44 | P24-G41 VanDerWaalsContact O-CA 3.31Å; P24-G41 WeakPolarHBondContact O-CA 2.95Å; G41-N43 VanDerWaalsContact C-N 3.34Å; G41-N43 PolarHBondContact O-N 2.93Å; G41-L44 PolarHBondContact N-O 2.79Å |
| 42 | R | 75.9 | Confident | 84.3 | Confident | 139 Ų | 139 | 41.6 Ų | 41.6 | 53% | 0.525 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -62 | -37.4 | -174.9 | -66.6 | -176.9 | -175.9 | 158.3 | 3.9 | 114.5 | M26 | M26-R42 HydrophobicContact CG-CG 4.43Å; M26-R42 HydrophobicContact SD-CG 4.19Å |
| 43 | N | 73.5 | Confident | 83.7 | Confident | 92 Ų | 92 | 42.8 Ų | 42.8 | 49% | 0.492 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -128.1 | 6.7 | -174.1 | -60.6 | -17 | 0 | 0 | 0 | 113.2 | G41 T63 | G41-N43 VanDerWaalsContact C-N 3.34Å; G41-N43 PolarHBondContact O-N 2.93Å; N43-T63 VanDerWaalsContact CA-OG1 3.28Å; N43-T63 WeakPolarHBondContact CA-OG1 3.48Å; N43-T63 PolarHBondContact O-N 3.32Å; N43-T63 VanDerWaalsContact O-N 3.14Å; N43-T63 PolarHBondContact O-OG1 2.95Å |
| 44 | L | 82.4 | Confident | 83.7 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.9 | -170.3 | 177.5 | 64.1 | 0 | 0 | 0 | 109.4 | T21 S23 L25 A40 G41 Q46 R60 K62 | T21-L44 HydrophobicContact CG2-CD2 4.33Å; S23-L44 WeakPolarHBondContact OG-CD2 3.47Å; L25-L44 HydrophobicContact CD2-CD2 4.15Å; A40-L44 CarbonylContact C-O 3.52Å; A40-L44 WeakPolarHBondContact CA-O 3.26Å; G41-L44 PolarHBondContact N-O 2.79Å; L44-Q46 HydrophobicContact CD1-CB 4.27Å; L44-Q46 HydrophobicContact CG-CB 4.41Å; L44-R60 HydrophobicContact CD1-CG 3.74Å; L44-K62 HydrophobicContact CD1-CG 4.27Å |
| 45 | F | 86.5 | Confident | 83.9 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 124.8 | 166 | 175.2 | -137.5 | 0 | 0 | 0 | 107.2 | V39 A40 V61 L135 T137 W147 M153 | V39-F45 WeakPolarHBondContact O-CD2 3.34Å; A40-F45 HydrophobicContact CB-CD2 3.91Å; F45-V61 HydrophobicContact CB-CB 4.36Å; F45-V61 HydrophobicContact CD1-CB 4.46Å; F45-V61 HydrophobicContact CD1-CG2 4.46Å; F45-V61 PolarHBondContact N-O 3.31Å; F45-V61 PolarHBondContact O-N 3.36Å; F45-L135 HydrophobicContact CE2-CD2 4.1Å; F45-L135 HydrophobicContact CZ-CD2 3.67Å; F45-L135 HydrophobicContact CZ-CG 4.36Å; F45-T137 HydrophobicContact CE1-CG2 4.03Å; F45-T137 HydrophobicContact CE2-CG2 3.69Å; F45-T137 HydrophobicContact CZ-CG2 3.41Å; F45-T137 VanDerWaalsContact CZ-CG2 3.41Å; F45-W147 HydrophobicContact CE1-CD2 4.25Å; F45-W147 HydrophobicContact CE1-CG 4.42Å; F45-M153 HydrophobicContact CD1-CE 3.95Å; F45-M153 HydrophobicContact CE1-CE 3.34Å; F45-M153 HydrophobicContact CZ-CE 3.73Å |
| 46 | Q | 87.7 | Confident | 83.9 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 136 | -169.3 | -165.9 | 166.7 | -13.6 | 0 | 0 | 110.4 | V39 L44 F48 S57 H59 R60 | V39-Q46 HydrophobicContact CG2-CB 4.21Å; V39-Q46 PolarHBondContact N-O 3.37Å; V39-Q46 PolarHBondContact O-N 2.85Å; L44-Q46 HydrophobicContact CD1-CB 4.27Å; L44-Q46 HydrophobicContact CG-CB 4.41Å; Q46-F48 HydrophobicContact CB-CE2 4.17Å; Q46-F48 HydrophobicContact CB-CZ 4.31Å; Q46-F48 HydrophobicContact CG-CE1 4.19Å; Q46-F48 HydrophobicContact CG-CE2 3.86Å; Q46-F48 HydrophobicContact CG-CZ 3.62Å; Q46-F48 VanDerWaalsContact NE2-CZ 3.33Å; Q46-S57 PolarHBondContact NE2-OG 2.93Å; Q46-H59 CarbonylContact C-O 3.38Å; Q46-H59 VanDerWaalsContact CA-O 3.28Å; Q46-H59 WeakPolarHBondContact CA-O 3.27Å; Q46-H59 WeakPolarHBondContact CG-O 3.28Å; Q46-R60 HydrophobicContact CB-CG 4.38Å; Q46-R60 HydrophobicContact CG-CB 4.04Å; Q46-R60 HydrophobicContact CG-CG 3.93Å |
| 47 | V | 89.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.4 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | M36 A38 L58 H59 W128 L135 V149 M153 | M36-V47 HydrophobicContact SD-CG1 4.36Å; A38-V47 HydrophobicContact CB-CG2 4.02Å; V47-L58 HydrophobicContact CG1-CD1 4.49Å; V47-L58 PolarHBondContact O-N 3.13Å; V47-H59 PolarHBondContact N-O 3.27Å; V47-H59 PolarHBondContact O-N 3.42Å; V47-W128 HydrophobicContact CG1-CH2 4.18Å; V47-W128 HydrophobicContact CG1-CZ2 4.17Å; V47-L135 HydrophobicContact CG2-CD2 4.06Å; V47-V149 HydrophobicContact CG1-CG1 4.4Å; V47-M153 HydrophobicContact CG2-CE 3.6Å; V47-M153 HydrophobicContact CG2-SD 3.85Å |
| 48 | F | 90.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 143.8 | 176.4 | -57.2 | -88.8 | 0 | 0 | 0 | 110 | Y19 M36 V37 V39 Q46 F55 I56 L383 | Y19-F48 HydrophobicContact CD1-CE1 4.2Å; Y19-F48 AromaticContact CD1-CZ 3.9Å; Y19-F48 HydrophobicContact CD1-CZ 3.9Å; Y19-F48 AromaticContact CE1-CE1 3.61Å; Y19-F48 HydrophobicContact CE1-CE1 3.61Å; Y19-F48 HydrophobicContact CE1-CE2 4.36Å; Y19-F48 AromaticContact CE1-CZ 3.32Å; Y19-F48 HydrophobicContact CE1-CZ 3.32Å; Y19-F48 HydrophobicContact CE2-CE1 4.35Å; Y19-F48 AromaticContact CZ-CE1 3.7Å; Y19-F48 AromaticContact CZ-CZ 3.88Å; M36-F48 CarbonylContact C-O 3.52Å; M36-F48 VanDerWaalsContact CA-O 3.25Å; M36-F48 WeakPolarHBondContact CA-O 3.3Å; V37-F48 PolarHBondContact N-O 3.16Å; V37-F48 PolarHBondContact O-N 2.87Å; V39-F48 HydrophobicContact CG2-CE2 3.79Å; Q46-F48 HydrophobicContact CB-CE2 4.17Å; Q46-F48 HydrophobicContact CB-CZ 4.31Å; Q46-F48 HydrophobicContact CG-CE1 4.19Å; Q46-F48 HydrophobicContact CG-CE2 3.86Å; Q46-F48 HydrophobicContact CG-CZ 3.62Å; Q46-F48 VanDerWaalsContact NE2-CZ 3.33Å; F48-F55 HydrophobicContact CB-CB 4.27Å; F48-F55 HydrophobicContact CB-CD1 4.2Å; F48-F55 HydrophobicContact CD1-CB 3.81Å; F48-F55 HydrophobicContact CE1-CB 4.44Å; F48-F55 HydrophobicContact CG-CB 4.14Å; F48-F55 HydrophobicContact CG-CD1 4.41Å; F48-I56 CarbonylContact C-O 3.51Å; F48-I56 VanDerWaalsContact CA-O 3.23Å; F48-I56 WeakPolarHBondContact CA-O 3.15Å; F48-L383 HydrophobicContact CD2-CD2 4.04Å; F48-L383 HydrophobicContact CE2-CD2 3.97Å |
| 49 | S | 88 | Confident | 82.6 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 144 | 152.5 | -163.3 | 0 | 0 | 0 | 0 | 108.6 | E35 H51 I56 | E35-S49 CarbonylContact O-C 3.57Å; E35-S49 WeakPolarHBondContact O-CA 3.31Å; E35-S49 PolarHBondContact O-OG 2.83Å; S49-H51 WeakPolarHBondContact CB-NE2 3.4Å; S49-H51 PolarHBondContact OG-CD2 2.98Å; S49-H51 VanDerWaalsContact OG-CD2 3.31Å; S49-H51 PolarHBondContact OG-NE2 2.86Å; S49-I56 PolarHBondContact N-O 3.42Å; S49-I56 PolarHBondContact O-N 3.1Å |
| 50 | V | 83.8 | Confident | 82 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.1 | 172.9 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | E35 V37 F55 Y375 | E35-V50 PolarHBondContact O-N 3.26Å; V37-V50 HydrophobicContact CB-CG2 4.42Å; V37-V50 HydrophobicContact CG2-CG2 3.61Å; V50-F55 HydrophobicContact CG2-CD1 3.95Å; V50-F55 HydrophobicContact CG2-CE1 3.98Å; V50-Y375 HydrophobicContact CG2-CE1 4.46Å |
| 51 | H | 77.5 | Confident | 81.1 | Confident | 108 Ų | 108 | 59 Ų | 59 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 102.9 | 174.7 | -67.9 | -81.5 | 0 | 0 | 0 | 108.7 | S49 D53 K54 I56 | S49-H51 WeakPolarHBondContact CB-NE2 3.4Å; S49-H51 PolarHBondContact OG-CD2 2.98Å; S49-H51 VanDerWaalsContact OG-CD2 3.31Å; S49-H51 PolarHBondContact OG-NE2 2.86Å; H51-D53 PolarHBondContact O-N 3.48Å; H51-K54 PolarHBondContact N-O 3.12Å; H51-K54 PolarHBondContact O-N 3.38Å; H51-I56 HydrophobicContact CB-CD1 4.31Å |
| 52 | E | 67.8 | Low | 80 | Confident | 171 Ų | 171 | 64.4 Ų | 64.4 | 80% | 0.799 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | -92.6 | 176 | -65.7 | 169 | 175.1 | 0 | 0 | 112.7 | I17 R385 | I17-E52 WeakPolarHBondContact CD1-O 3.39Å; E52-R385 PolarHBondContact O-NH1 2.93Å |
| 53 | D | 71.4 | Confident | 79 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -1.6 | -178.3 | -75.3 | -13.5 | 0 | 0 | 0 | 116.2 | H51 | H51-D53 PolarHBondContact O-N 3.48Š|
| 54 | K | 81.2 | Confident | 77.3 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 138.2 | -165.8 | -63.3 | 173.4 | -169.5 | 160.2 | 0 | 114.9 | H51 I56 | H51-K54 PolarHBondContact N-O 3.12Å; H51-K54 PolarHBondContact O-N 3.38Å; K54-I56 HydrophobicContact CB-CG1 4.43Å |
| 55 | F | 83.9 | Confident | 75 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 112.9 | 160.3 | -65.6 | -81.2 | 0 | 0 | 0 | 110.1 | I17 V37 F48 V50 Y375 L383 R385 | I17-F55 HydrophobicContact CB-CE2 4.3Å; I17-F55 HydrophobicContact CG2-CD2 4.05Å; I17-F55 HydrophobicContact CG2-CE2 3.91Å; V37-F55 HydrophobicContact CG2-CE1 4.43Å; F48-F55 HydrophobicContact CB-CB 4.27Å; F48-F55 HydrophobicContact CB-CD1 4.2Å; F48-F55 HydrophobicContact CD1-CB 3.81Å; F48-F55 HydrophobicContact CE1-CB 4.44Å; F48-F55 HydrophobicContact CG-CB 4.14Å; F48-F55 HydrophobicContact CG-CD1 4.41Å; V50-F55 HydrophobicContact CG2-CD1 3.95Å; V50-F55 HydrophobicContact CG2-CE1 3.98Å; F55-Y375 HydrophobicContact CE1-CD1 4.09Å; F55-Y375 AromaticContact CE1-CE1 3.78Å; F55-Y375 HydrophobicContact CE1-CE1 3.78Å; F55-Y375 AromaticContact CZ-CD1 3.97Å; F55-Y375 HydrophobicContact CZ-CD1 3.97Å; F55-Y375 AromaticContact CZ-CE1 3.84Å; F55-Y375 HydrophobicContact CZ-CE1 3.84Å; F55-L383 HydrophobicContact CD1-CD2 3.82Å; F55-L383 HydrophobicContact CD2-CD2 4.48Å; F55-L383 HydrophobicContact CE1-CD1 4.31Å; F55-L383 HydrophobicContact CE1-CD2 3.69Å; F55-L383 HydrophobicContact CE1-CG 4.02Å; F55-L383 HydrophobicContact CE2-CD2 4.35Å; F55-L383 HydrophobicContact CE2-CG 4.19Å; F55-L383 HydrophobicContact CG-CD2 4.21Å; F55-L383 HydrophobicContact CZ-CD1 4.2Å; F55-L383 HydrophobicContact CZ-CD2 3.96Å; F55-L383 HydrophobicContact CZ-CG 3.8Å; F55-R385 HydrophobicContact CZ-CB 4.06Å |
| 56 | I | 83.9 | Confident | 72.3 | Confident | 82 Ų | 82 | 73.9 Ų | 73.9 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.1 | 177.7 | -55.6 | -169.5 | 0 | 0 | 0 | 109.2 | F48 S49 H51 K54 L58 | F48-I56 CarbonylContact C-O 3.51Å; F48-I56 VanDerWaalsContact CA-O 3.23Å; F48-I56 WeakPolarHBondContact CA-O 3.15Å; S49-I56 PolarHBondContact N-O 3.42Å; S49-I56 PolarHBondContact O-N 3.1Å; H51-I56 HydrophobicContact CB-CD1 4.31Å; K54-I56 HydrophobicContact CB-CG1 4.43Å; I56-L58 PolarHBondContact O-N 2.86Å; I56-L58 VanDerWaalsContact O-N 3.09Å |
| 57 | S | 84.4 | Confident | 69.3 | Low | 54 Ų | 54 | 80.7 Ų | 80.7 | 38% | 0.378 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 104.8 | -178 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | Q46 | Q46-S57 PolarHBondContact NE2-OG 2.93Å |
| 58 | L | 80.1 | Confident | 66.3 | Low | 82 Ų | 82 | 87.2 Ų | 87.2 | 43% | 0.429 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -49.7 | 175.1 | -62.5 | 175.7 | 0 | 0 | 0 | 111.6 | M36 V47 I56 | M36-L58 HydrophobicContact CG-CD1 4.16Å; M36-L58 HydrophobicContact SD-CD1 3.74Å; V47-L58 HydrophobicContact CG1-CD1 4.49Å; V47-L58 PolarHBondContact O-N 3.13Å; I56-L58 PolarHBondContact O-N 2.86Å; I56-L58 VanDerWaalsContact O-N 3.09Å |
| 59 | H | 79.5 | Confident | 63.3 | Low | 58 Ų | 58 | 92.7 Ų | 92.7 | 27% | 0.269 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 137 | -173.9 | -61.7 | -73.1 | 0 | 0 | 0 | 111.4 | Q46 V47 M153 | Q46-H59 CarbonylContact C-O 3.38Å; Q46-H59 VanDerWaalsContact CA-O 3.28Å; Q46-H59 WeakPolarHBondContact CA-O 3.27Å; Q46-H59 WeakPolarHBondContact CG-O 3.28Å; V47-H59 PolarHBondContact N-O 3.27Å; V47-H59 PolarHBondContact O-N 3.42Å; H59-M153 HydrophobicContact CB-CE 4.43Å; H59-M153 HydrophobicContact CB-CG 3.61Å; H59-M153 WeakPolarHBondContact CD2-CG 3.46Å |
| 60 | R | 79.6 | Confident | 60.4 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 40% | 0.404 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 103.6 | -179.2 | -167.2 | 175.3 | -165.2 | -154.7 | -4.4 | 111.4 | E22 L44 Q46 K62 | E22-R60 IonicContact OE2-CZ 3.42Å; E22-R60 IonicContact OE2-NH1 3.14Å; E22-R60 IonicContact OE2-NH2 3.95Å; E22-R60 PolarHBondContact OE2-NH2 3.29Å; L44-R60 HydrophobicContact CD1-CG 3.74Å; Q46-R60 HydrophobicContact CB-CG 4.38Å; Q46-R60 HydrophobicContact CG-CB 4.04Å; Q46-R60 HydrophobicContact CG-CG 3.93Å; R60-K62 VanDerWaalsContact CZ-CE 3.45Å |
| 61 | V | 72 | Confident | 57.6 | Low | 49 Ų | 49 | 103.3 Ų | 103.3 | 30% | 0.297 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 98.9 | 173.8 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | F45 | F45-V61 HydrophobicContact CB-CB 4.36Å; F45-V61 HydrophobicContact CD1-CB 4.46Å; F45-V61 HydrophobicContact CD1-CG2 4.46Å; F45-V61 PolarHBondContact N-O 3.31Å; F45-V61 PolarHBondContact O-N 3.36Å |
| 62 | K | 61.8 | Low | 55.4 | Low | 117 Ų | 117 | 105.3 Ų | 105.3 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 115.8 | 163.2 | -72.8 | -167.9 | 173 | -168.5 | 0 | 107.8 | E22 L44 R60 | E22-K62 IonicContact OE1-NZ 3.71Å; E22-K62 IonicContact OE2-NZ 3.99Å; E22-K62 PolarHBondContact OE2-NZ 2.9Å; L44-K62 HydrophobicContact CD1-CG 4.27Å; R60-K62 VanDerWaalsContact CZ-CE 3.45Å |
| 63 | T | 54.9 | Low | 53.6 | Low | 33 Ų | 33 | 102.9 Ų | 102.9 | 20% | 0.202 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 139.7 | 172.4 | 54.5 | 0 | 0 | 0 | 0 | 109.3 | N43 S65 | N43-T63 VanDerWaalsContact CA-OG1 3.28Å; N43-T63 WeakPolarHBondContact CA-OG1 3.48Å; N43-T63 PolarHBondContact O-N 3.32Å; N43-T63 VanDerWaalsContact O-N 3.14Å; N43-T63 PolarHBondContact O-OG1 2.95Å; T63-S65 PolarHBondContact O-N 3.14Å; T63-S65 VanDerWaalsContact O-N 3.1Å |
| 64 | P | 37.4 | Very low | 51.5 | Low | 94 Ų | 94 | 108.4 Ų | 108.4 | 61% | 0.61 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.4 | 175.8 | 24.8 | -33.1 | 0 | 0 | 0 | 109.5 | S120 | P64-S120 PolarHBondContact O-OG 2.83Š|
| 65 | S | 33.5 | Very low | 49.1 | Very low | 83 Ų | 83 | 108.4 Ų | 108.4 | 58% | 0.58 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 146.4 | 170.8 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | T63 L67 | T63-S65 PolarHBondContact O-N 3.14Å; T63-S65 VanDerWaalsContact O-N 3.1Å; S65-L67 PolarHBondContact O-N 3.37Å |
| 66 | R | 29.2 | Very low | 46.5 | Very low | 237 Ų | 237 | 116.5 Ų | 116.5 | 89% | 0.894 | 62% | 0.617 | S | S | * | * | trans | -73.2 | 75.4 | -169.3 | -168.8 | -176.6 | -175 | -176.1 | 1.9 | 111.5 | V68 | R66-V68 PolarHBondContact O-N 2.89Å; R66-V68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | L | 26.7 | Very low | 44 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | trans | -56.9 | 111.3 | 173.2 | -81.5 | 166.3 | 0 | 0 | 0 | 109.5 | S65 V69 | S65-L67 PolarHBondContact O-N 3.37Å; L67-V69 HydrophobicContact CB-CG2 4.14Å; L67-V69 PolarHBondContact O-N 2.88Å | ||
| 68 | V | 25.8 | Very low | 41.1 | Very low | 137 Ų | 137 | 120.9 Ų | 120.9 | 83% | 0.83 | 65% | 0.65 | S | S | * | * | trans | -78 | 81.8 | 168 | -178.4 | 0 | 0 | 0 | 0 | 106.8 | R66 S70 | R66-V68 PolarHBondContact O-N 2.89Å; R66-V68 VanDerWaalsContact O-N 3.08Å; V68-S70 PolarHBondContact O-N 2.86Å | ||
| 69 | V | 27.4 | Very low | 38.8 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | trans | -72.9 | 106.5 | 172 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | L67 | L67-V69 HydrophobicContact CB-CG2 4.14Å; L67-V69 PolarHBondContact O-N 2.88Å | ||
| 70 | S | 26.1 | Very low | 36.3 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | trans | -67.6 | 140.6 | 163.7 | 50.8 | 0 | 0 | 0 | 0 | 110 | V68 I72 | V68-S70 PolarHBondContact O-N 2.86Å; S70-I72 PolarHBondContact O-N 2.9Å | ||
| 71 | D | 25.6 | Very low | 33.7 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | trans | -58.4 | 129.9 | -169.5 | -60.7 | -83.3 | 0 | 0 | 0 | 114.5 | ||||
| 72 | I | 30.8 | Very low | 31.7 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -130.3 | 125.6 | 160.1 | -58.7 | -178.4 | 0 | 0 | 0 | 106.9 | S70 | S70-I72 PolarHBondContact O-N 2.9Š| ||
| 73 | P | 30.6 | Very low | 30 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | -75.5 | 155.5 | -169.8 | 29.9 | -35.7 | 0 | 0 | 0 | 113.5 | ||||
| 74 | K | 27.7 | Very low | 28.9 | Very low | 214 Ų | 214 | 135.6 Ų | 135.6 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -86 | 125.9 | -177.1 | -59.8 | 172.6 | -176.8 | 173.9 | 0 | 112 | ||||
| 75 | S | 31.2 | Very low | 28.5 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -118 | 162.5 | 154.5 | 54.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 76 | K | 27.7 | Very low | 28.4 | Very low | 191 Ų | 191 | 142 Ų | 142 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -110.6 | -175.3 | -170.7 | -70.8 | -177.1 | 176.5 | 178.8 | 0 | 111.5 | ||||
| 77 | T | 31.5 | Very low | 28.4 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 70.2 | 127 | 165.6 | 56.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 78 | S | 24.7 | Very low | 28.6 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | cis | 116.8 | 153.8 | 9.4 | 66.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 79 | V | 31.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 98.2 | 103 | 174.4 | -173.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 80 | T | 26.6 | Very low | 29.2 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | trans | 1.9 | 143.5 | 149.3 | 51.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 81 | D | 24.3 | Very low | 29.4 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | 63.8 | 109.6 | 134.2 | -53.5 | -9.1 | 0 | 0 | 0 | 121.5 | ||||
| 82 | A | 31 | Very low | 29.7 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -147.4 | 124.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 83 | I | 26.8 | Very low | 29.6 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 92% | 0.918 | 82% | 0.819 | S | S | * | * | trans | -95.4 | 131.2 | 171 | -64.1 | 173.2 | 0 | 0 | 0 | 107.8 | ||||
| 84 | G | 30.5 | Very low | 29.3 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -160.8 | 113.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 85 | T | 28.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -92.2 | 145.4 | 179.5 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 86 | E | 31.5 | Very low | 28.9 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | -173.3 | 172.4 | 121.6 | -103.4 | 170.9 | -144.9 | 0 | 0 | 112.1 | |||||
| 87 | C | 29.5 | Very low | 29 | Very low | 136 Ų | 136 | 132 Ų | 132 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | trans | -111.4 | 153.3 | -151.9 | -66 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 88 | G | 30.8 | Very low | 28.8 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -144.7 | 125.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 89 | P | 33.5 | Very low | 28.8 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -91.1 | 127.4 | -165 | 33 | -34.5 | 0 | 0 | 0 | 114.6 | ||||
| 90 | N | 33 | Very low | 28.6 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -159.2 | 112.7 | 148 | -102.9 | -38 | 0 | 0 | 0 | 108.5 | ||||
| 91 | Q | 30.2 | Very low | 28.6 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -124.1 | 132.3 | -176.9 | -71.1 | -176.7 | -9.5 | 0 | 0 | 111.5 | ||||
| 92 | T | 31.3 | Very low | 28.7 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -147 | 108 | 148.6 | 29.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 93 | H | 28.7 | Very low | 28.7 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | trans | 52.4 | 77.8 | 162.1 | -64 | -83.5 | 0 | 0 | 0 | 118.6 | ||||
| 94 | G | 25 | Very low | 28.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -88.5 | 149.7 | 131.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 95 | T | 26.4 | Very low | 28.7 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -115.4 | 106.6 | 171.5 | -48 | 0 | 0 | 0 | 0 | 109.2 | V97 | T95-V97 HydrophobicContact CG2-CG2 4.08Š| ||
| 96 | I | 23.5 | Very low | 28.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 82% | 0.821 | 81% | 0.812 | S | S | * | * | trans | -78.6 | 127.6 | 164.8 | -61.8 | 170.2 | 0 | 0 | 0 | 106.8 | ||||
| 97 | V | 30.1 | Very low | 28.7 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -116.6 | 132.2 | 163 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | T95 | T95-V97 HydrophobicContact CG2-CG2 4.08Š| ||
| 98 | T | 27.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -73.9 | 158.1 | -169.2 | 43.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 99 | A | 24.6 | Very low | 28.4 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -90.1 | 129.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 100 | T | 27 | Very low | 28 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -153.4 | 126 | 162.4 | 43.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 101 | E | 26.8 | Very low | 27.9 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | cis | -137.8 | 160.2 | -1.7 | -60.7 | -170.4 | 124.9 | 0 | 0 | 110.6 | ||||
| 102 | P | 27.7 | Very low | 27.6 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 117 | 177.2 | 34.4 | -30 | 0 | 0 | 0 | 112.9 | ||
| 103 | I | 30.6 | Very low | 27.3 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 123.5 | 166.5 | -58.6 | 179.2 | 0 | 0 | 0 | 108.5 | ||
| 104 | P | 28.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 140.8 | -163.3 | 30.6 | -36.1 | 0 | 0 | 0 | 114.2 | ||
| 105 | A | 28.1 | Very low | 27.4 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 145.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 106 | R | 30.3 | Very low | 27.5 | Very low | 208 Ų | 208 | 131.2 Ų | 131.2 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -131 | 117.6 | 162.2 | -85.4 | -166.8 | 174.3 | -168.3 | -1 | 112.1 | ||||
| 107 | H | 30.2 | Very low | 27.9 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 70% | 0.704 | 75% | 0.754 | S | S | * | * | trans | 61.6 | 102.6 | 163.9 | -53.2 | -62.3 | 0 | 0 | 0 | 118.5 | ||||
| 108 | S | 26.2 | Very low | 28.3 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -68.9 | 169.8 | 144.8 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 109 | P | 27.8 | Very low | 29.1 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | -120.3 | 150.7 | 110.3 | 34.6 | -34.6 | 0 | 0 | 0 | 112.7 | I111 | P109-I111 PolarHBondContact O-N 3.06Š| |||
| 110 | V | 25.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 70% | 0.697 | 71% | 0.713 | S | S | * | * | trans | -72 | 117 | 173.4 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | Q112 | V110-Q112 HydrophobicContact CG1-CG 3.88Š| ||
| 111 | I | 29.7 | Very low | 31.7 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | trans | -113.2 | 109.4 | 159.3 | -62.7 | -178.4 | 0 | 0 | 0 | 107.7 | P109 S113 | P109-I111 PolarHBondContact O-N 3.06Å; I111-S113 PolarHBondContact O-N 3.43Å | ||
| 112 | Q | 24.4 | Very low | 34.2 | Very low | 185 Ų | 185 | 118.9 Ų | 118.9 | 86% | 0.864 | 66% | 0.663 | S | S | * | * | trans | -76.4 | 71.1 | 171.7 | -69.4 | 169.2 | -77.3 | 0 | 0 | 110 | V110 | V110-Q112 HydrophobicContact CG1-CG 3.88Š| ||
| 113 | S | 25.6 | Very low | 37 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | trans | -76.9 | 134.6 | 161.8 | 59.5 | 0 | 0 | 0 | 0 | 108.9 | I111 I115 | I111-S113 PolarHBondContact O-N 3.43Å; S113-I115 PolarHBondContact O-N 3.04Å | ||
| 114 | A | 23.7 | Very low | 39.8 | Very low | 100 Ų | 100 | 107.3 Ų | 107.3 | 83% | 0.826 | 60% | 0.597 | S | S | * | * | trans | -79.1 | 71.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N116 | A114-N116 PolarHBondContact O-N 2.91Š| ||
| 115 | I | 31.4 | Very low | 42.8 | Very low | 141 Ų | 141 | 102.5 Ų | 102.5 | 72% | 0.723 | 57% | 0.566 | S | S | * | * | trans | -62.2 | 110.5 | 170.5 | -57.6 | 178.5 | 0 | 0 | 0 | 107.2 | S113 Q117 | S113-I115 PolarHBondContact O-N 3.04Å; I115-Q117 PolarHBondContact O-N 3.39Å | ||
| 116 | N | 28.3 | Very low | 45.9 | Very low | 108 Ų | 108 | 98 Ų | 98 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | trans | -56.5 | 136.5 | 173.7 | -77.2 | -93.8 | 0 | 0 | 0 | 108.2 | A114 | A114-N116 PolarHBondContact O-N 2.91Š| ||
| 117 | Q | 32 | Very low | 48.9 | Very low | 171 Ų | 171 | 88.9 Ų | 88.9 | 80% | 0.799 | 50% | 0.496 | S | S | * | . | trans | -49 | 131.9 | 166.8 | -69.2 | 176.7 | -20.6 | 0 | 0 | 108.7 | I115 R119 | I115-Q117 PolarHBondContact O-N 3.39Å; Q117-R119 PolarHBondContact O-N 2.85Å | ||
| 118 | P | 38.8 | Very low | 51.9 | Low | 74 Ų | 74 | 82.6 Ų | 82.6 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | trans | -57.7 | 110.6 | -179.7 | 23.3 | -33.1 | 0 | 0 | 0 | 107.7 | S120 | P118-S120 PolarHBondContact O-N 2.79Å; P118-S120 VanDerWaalsContact O-N 3.17Å | ||
| 119 | R | 44.3 | Very low | 55 | Low | 144 Ų | 144 | 78 Ų | 78 | 54% | 0.543 | 43% | 0.434 | S | S | . | . | trans | -64.8 | 124.3 | -167.7 | -69.1 | -173.5 | 179.2 | 136.8 | 7.4 | 108.4 | Q117 H121 | Q117-R119 PolarHBondContact O-N 2.85Å; R119-H121 VanDerWaalsContact C-N 3.29Å; R119-H121 WeakPolarHBondContact CB-NE2 3.32Å; R119-H121 PolarHBondContact O-N 2.98Å | ||
| 120 | S | 45.9 | Very low | 57.7 | Low | 64 Ų | 64 | 75 Ų | 75 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | trans | -63.7 | 90.6 | 180 | -172 | 0 | 0 | 0 | 0 | 109.6 | P64 P118 | P64-S120 PolarHBondContact O-OG 2.83Å; P118-S120 PolarHBondContact O-N 2.79Å; P118-S120 VanDerWaalsContact O-N 3.17Å | ||
| 121 | H | 60.2 | Low | 60.3 | Low | 64 Ų | 64 | 73.7 Ų | 73.7 | 30% | 0.296 | 41% | 0.408 | S | S | . | . | trans | -132.2 | 126.6 | -175.3 | -67.3 | -11.9 | 0 | 0 | 0 | 106.5 | R119 V123 S141 | R119-H121 VanDerWaalsContact C-N 3.29Å; R119-H121 WeakPolarHBondContact CB-NE2 3.32Å; R119-H121 PolarHBondContact O-N 2.98Å; H121-V123 PolarHBondContact O-N 2.85Å; H121-V123 VanDerWaalsContact O-N 3.14Å; H121-S141 PolarHBondContact CD2-OG 2.83Å | ||
| 122 | S | 78.2 | Confident | 62.6 | Low | 35 Ų | 35 | 69.5 Ų | 69.5 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | trans | -60.3 | 123.3 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 108 | T140 | S122-T140 PolarHBondContact N-OG1 2.92Å; S122-T140 PolarHBondContact O-N 3.07Å; S122-T140 VanDerWaalsContact O-N 3.09Å; S122-T140 PolarHBondContact O-OG1 3.08Å | ||
| 123 | V | 86.6 | Confident | 65.5 | Low | 15 Ų | 15 | 63 Ų | 63 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 140.7 | 167.4 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | A40 H121 D125 V126 A138 | A40-V123 HydrophobicContact CB-CB 3.72Å; A40-V123 HydrophobicContact CB-CG1 3.61Å; A40-V123 HydrophobicContact CB-CG2 4.17Å; H121-V123 PolarHBondContact O-N 2.85Å; H121-V123 VanDerWaalsContact O-N 3.14Å; V123-D125 WeakPolarHBondContact CG1-O 3.3Å; V123-V126 HydrophobicContact CG1-CG2 3.87Å; V123-A138 CarbonylContact C-O 3.56Å; V123-A138 VanDerWaalsContact CA-O 3.25Å; V123-A138 WeakPolarHBondContact CA-O 3.41Å |
| 124 | T | 89.8 | Confident | 68.5 | Low | 31 Ų | 31 | 61.4 Ų | 61.4 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -31.8 | 176.9 | 48.3 | 0 | 0 | 0 | 0 | 113 | A138 T140 I166 | T124-A138 PolarHBondContact N-O 3.16Å; T124-A138 WeakPolarHBondContact OG1-CB 3.45Å; T124-A138 PolarHBondContact OG1-O 3.42Å; T124-T140 HydrophobicContact CG2-CG2 3.45Å; T124-T140 VanDerWaalsContact CG2-CG2 3.45Å; T124-I166 VanDerWaalsContact CB-O 3.28Å; T124-I166 WeakPolarHBondContact CB-O 3.47Å; T124-I166 PolarHBondContact OG1-O 2.92Å |
| 125 | D | 92.2 | Very high | 71.7 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 163 | 178.7 | -160.9 | 23.7 | 0 | 0 | 0 | 111.7 | V123 A138 C168 I169 | V123-D125 WeakPolarHBondContact CG1-O 3.3Å; D125-A138 HydrophobicContact CB-CB 3.94Å; D125-A138 WeakPolarHBondContact O-CB 3.45Å; D125-A138 PolarHBondContact O-N 2.81Å; D125-C168 WeakPolarHBondContact OD2-CA 3.46Å; D125-C168 PolarHBondContact OD2-SG 2.92Å; D125-C168 VanDerWaalsContact OD2-SG 3.4Å; D125-I169 PolarHBondContact OD2-N 3.29Å |
| 126 | V | 93.3 | Very high | 74.6 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.2 | -176.5 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | A29 A38 A40 V123 L135 A136 T137 | A29-V126 HydrophobicContact CB-CB 4.27Å; A29-V126 HydrophobicContact CB-CG1 3.92Å; A38-V126 HydrophobicContact CB-CG1 4.05Å; A40-V126 HydrophobicContact CB-CG2 3.87Å; V123-V126 HydrophobicContact CG1-CG2 3.87Å; V126-L135 HydrophobicContact CG1-CD1 3.36Å; V126-L135 HydrophobicContact CG1-CD2 4.5Å; V126-L135 HydrophobicContact CG1-CG 4.13Å; V126-A136 WeakPolarHBondContact CA-O 3.23Å; V126-T137 HydrophobicContact CG1-CG2 4.34Å; V126-T137 HydrophobicContact CG2-CG2 4.12Å |
| 127 | S | 94.1 | Very high | 77.6 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 135.9 | 179.3 | -156.5 | 0 | 0 | 0 | 0 | 111.5 | L135 A136 I169 F171 | S127-L135 WeakPolarHBondContact O-CD1 3.33Å; S127-A136 PolarHBondContact N-O 3.19Å; S127-A136 PolarHBondContact O-N 3.49Å; S127-I169 WeakPolarHBondContact CB-O 3.5Å; S127-I169 PolarHBondContact OG-O 3Å; S127-F171 WeakPolarHBondContact O-CE2 3.34Å; S127-F171 PolarHBondContact OG-N 3.46Å |
| 128 | W | 91.9 | Very high | 80.4 | Confident | 19 Ų | 19 | 36.7 Ų | 36.7 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 144.9 | 174.2 | -68.5 | 97 | 0 | 0 | 0 | 111.2 | A29 N31 M36 A38 V47 D133 L135 V149 F171 | A29-W128 VanDerWaalsContact CB-CD1 3.43Å; A29-W128 HydrophobicContact CB-CG 4.48Å; A29-W128 PolarHBondContact O-NE1 2.8Å; N31-W128 HydrophobicContact CB-CD2 3.76Å; N31-W128 HydrophobicContact CB-CE3 4.15Å; N31-W128 HydrophobicContact CB-CG 3.99Å; N31-W128 HydrophobicContact CB-CZ2 4.32Å; M36-W128 HydrophobicContact CB-CH2 4.1Å; M36-W128 HydrophobicContact CB-CZ2 3.91Å; M36-W128 HydrophobicContact CE-CH2 3.86Å; M36-W128 HydrophobicContact CE-CZ3 4.08Å; M36-W128 HydrophobicContact SD-CH2 4.06Å; A38-W128 HydrophobicContact CB-CZ2 3.89Å; V47-W128 HydrophobicContact CG1-CH2 4.18Å; V47-W128 HydrophobicContact CG1-CZ2 4.17Å; W128-D133 HydrophobicContact CZ3-CB 4.45Å; W128-L135 HydrophobicContact CD2-CB 4.45Å; W128-L135 HydrophobicContact CD2-CD1 3.67Å; W128-L135 HydrophobicContact CE3-CB 4Å; W128-L135 HydrophobicContact CE3-CD1 4.09Å; W128-L135 HydrophobicContact CG-CD1 3.91Å; W128-L135 HydrophobicContact CH2-CD2 4.2Å; W128-L135 HydrophobicContact CZ2-CD1 4.35Å; W128-L135 HydrophobicContact CZ2-CD2 4.17Å; W128-L135 HydrophobicContact CZ3-CB 4.09Å; W128-L135 HydrophobicContact CZ3-CD2 4.48Å; W128-V149 HydrophobicContact CH2-CB 4.35Å; W128-V149 HydrophobicContact CH2-CG1 4.44Å; W128-V149 HydrophobicContact CH2-CG2 3.71Å; W128-V149 HydrophobicContact CZ3-CB 4.28Å; W128-V149 HydrophobicContact CZ3-CG2 3.59Å; W128-F171 WeakPolarHBondContact O-CD2 3.14Å |
| 129 | S | 91 | Very high | 82.8 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | trans | -72.5 | 155.4 | 163.6 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | V131 I134 S176 | S129-V131 VanDerWaalsContact C-N 3.29Å; S129-V131 PolarHBondContact OG-N 3.27Å; S129-I134 PolarHBondContact N-O 3Å; S129-S176 PolarHBondContact OG-O 2.78Å | ||
| 130 | S | 85.5 | Confident | 84.9 | Confident | 49 Ų | 49 | 29.5 Ų | 29.5 | 34% | 0.343 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -78.8 | -9.3 | 171.6 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | P173 S176 | S130-P173 PolarHBondContact OG-O 3.33Å; S130-S176 VanDerWaalsContact OG-CB 3.3Å; S130-S176 WeakPolarHBondContact OG-CB 3.35Å |
| 131 | V | 80.5 | Confident | 86.8 | Confident | 89 Ų | 89 | 28.6 Ų | 28.6 | 54% | 0.539 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -126.6 | 118.3 | 179.7 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | S129 S176 | S129-V131 VanDerWaalsContact C-N 3.29Å; S129-V131 PolarHBondContact OG-N 3.27Å; V131-S176 VanDerWaalsContact CG2-CB 3.49Å; V131-S176 VanDerWaalsContact CG2-OG 3.31Å; V131-S176 WeakPolarHBondContact CG2-OG 3.46Å |
| 132 | G | 77.5 | Confident | 88.2 | Confident | 51 Ų | 51 | 25.6 Ų | 25.6 | 53% | 0.526 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 71.7 | 167.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I134 | G132-I134 PolarHBondContact O-N 3.32Š|
| 133 | D | 84 | Confident | 88.7 | Confident | 49 Ų | 49 | 25 Ų | 25 | 26% | 0.262 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -81.3 | 51.7 | -178.5 | -50.5 | -63.5 | 0 | 0 | 0 | 111.2 | M36 W128 V149 | M36-D133 HydrophobicContact CE-CB 4.07Å; M36-D133 VanDerWaalsContact CE-OD1 3.26Å; M36-D133 WeakPolarHBondContact CE-OD1 3.48Å; W128-D133 HydrophobicContact CZ3-CB 4.45Å; D133-V149 HydrophobicContact CB-CB 4.14Å; D133-V149 WeakPolarHBondContact O-CB 3.36Å; D133-V149 WeakPolarHBondContact O-CG2 3.43Å; D133-V149 PolarHBondContact O-N 2.76Å |
| 134 | I | 89.6 | Confident | 88.9 | Confident | 45 Ų | 45 | 24.3 Ų | 24.3 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.9 | 179.9 | -60 | 177.1 | 0 | 0 | 0 | 109.5 | S129 G132 W147 F171 | S129-I134 PolarHBondContact N-O 3Å; G132-I134 PolarHBondContact O-N 3.32Å; I134-W147 WeakPolarHBondContact CA-O 3.25Å; I134-F171 HydrophobicContact CG2-CZ 4.43Å |
| 135 | L | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.3 | -175.4 | -176.7 | 56.2 | 0 | 0 | 0 | 109.9 | A38 F45 V47 V126 S127 W128 L146 W147 V149 | A38-L135 HydrophobicContact CB-CD1 4.13Å; A38-L135 HydrophobicContact CB-CD2 3.65Å; F45-L135 HydrophobicContact CE2-CD2 4.1Å; F45-L135 HydrophobicContact CZ-CD2 3.67Å; F45-L135 HydrophobicContact CZ-CG 4.36Å; V47-L135 HydrophobicContact CG2-CD2 4.06Å; V126-L135 HydrophobicContact CG1-CD1 3.36Å; V126-L135 HydrophobicContact CG1-CD2 4.5Å; V126-L135 HydrophobicContact CG1-CG 4.13Å; S127-L135 WeakPolarHBondContact O-CD1 3.33Å; W128-L135 HydrophobicContact CD2-CB 4.45Å; W128-L135 HydrophobicContact CD2-CD1 3.67Å; W128-L135 HydrophobicContact CE3-CB 4Å; W128-L135 HydrophobicContact CE3-CD1 4.09Å; W128-L135 HydrophobicContact CG-CD1 3.91Å; W128-L135 HydrophobicContact CH2-CD2 4.2Å; W128-L135 HydrophobicContact CZ2-CD1 4.35Å; W128-L135 HydrophobicContact CZ2-CD2 4.17Å; W128-L135 HydrophobicContact CZ3-CB 4.09Å; W128-L135 HydrophobicContact CZ3-CD2 4.48Å; L135-L146 WeakPolarHBondContact O-CA 3.48Å; L135-W147 HydrophobicContact CB-CB 4.39Å; L135-W147 PolarHBondContact N-O 2.83Å; L135-W147 PolarHBondContact O-N 2.9Å; L135-V149 HydrophobicContact CB-CG2 3.99Å; L135-V149 HydrophobicContact CD2-CG2 4.18Å |
| 136 | A | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V126 S127 M145 L146 I169 F171 L179 | V126-A136 WeakPolarHBondContact CA-O 3.23Å; S127-A136 PolarHBondContact N-O 3.19Å; S127-A136 PolarHBondContact O-N 3.49Å; A136-M145 CarbonylContact C-O 3.57Å; A136-M145 WeakPolarHBondContact CA-O 3.43Å; A136-L146 HydrophobicContact CB-CD2 3.67Å; A136-I169 HydrophobicContact CB-CG2 4.31Å; A136-F171 HydrophobicContact CB-CD2 4.47Å; A136-F171 HydrophobicContact CB-CE2 3.51Å; A136-F171 HydrophobicContact CB-CZ 3.96Å; A136-L179 HydrophobicContact CB-CD1 4.27Å; A136-L179 HydrophobicContact CB-CD2 3.95Å |
| 137 | T | 91.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.3 | 170.2 | 65.7 | 0 | 0 | 0 | 0 | 112 | F45 V126 M145 W147 | F45-T137 HydrophobicContact CE1-CG2 4.03Å; F45-T137 HydrophobicContact CE2-CG2 3.69Å; F45-T137 HydrophobicContact CZ-CG2 3.41Å; F45-T137 VanDerWaalsContact CZ-CG2 3.41Å; V126-T137 HydrophobicContact CG1-CG2 4.34Å; V126-T137 HydrophobicContact CG2-CG2 4.12Å; T137-M145 PolarHBondContact N-O 3Å; T137-M145 PolarHBondContact O-N 3.24Å; T137-W147 PolarHBondContact OG1-NE1 2.87Å |
| 138 | A | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | V123 T124 D125 I166 I169 | V123-A138 CarbonylContact C-O 3.56Å; V123-A138 VanDerWaalsContact CA-O 3.25Å; V123-A138 WeakPolarHBondContact CA-O 3.41Å; T124-A138 PolarHBondContact N-O 3.16Å; T124-A138 WeakPolarHBondContact OG1-CB 3.45Å; T124-A138 PolarHBondContact OG1-O 3.42Å; D125-A138 HydrophobicContact CB-CB 3.94Å; D125-A138 WeakPolarHBondContact O-CB 3.45Å; D125-A138 PolarHBondContact O-N 2.81Å; A138-I166 HydrophobicContact CB-CB 4.16Å; A138-I166 HydrophobicContact CB-CG2 3.83Å; A138-I169 HydrophobicContact CB-CD1 3.33Å; A138-I169 HydrophobicContact CB-CG1 3.6Å |
| 139 | S | 88.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 152.3 | 177.8 | 90.6 | 0 | 0 | 0 | 0 | 114.8 | S141 G142 D143 I166 | S139-S141 PolarHBondContact O-N 3.29Å; S139-S141 PolarHBondContact OG-N 3.26Å; S139-S141 PolarHBondContact OG-OG 3.13Å; S139-G142 PolarHBondContact O-N 3.45Å; S139-G142 PolarHBondContact OG-N 3.02Å; S139-G142 VanDerWaalsContact OG-N 3.12Å; S139-D143 WeakPolarHBondContact CB-O 3.5Å; S139-D143 PolarHBondContact N-O 2.81Å; S139-D143 PolarHBondContact OG-N 3.31Å; S139-D143 PolarHBondContact OG-O 3.46Å; S139-I166 PolarHBondContact O-N 3.49Å |
| 140 | T | 88.6 | Confident | 87.5 | Confident | 64 Ų | 64 | 26.7 Ų | 26.7 | 39% | 0.393 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19.5 | 163.1 | 36.8 | 0 | 0 | 0 | 0 | 114.3 | S122 T124 S165 | S122-T140 PolarHBondContact N-OG1 2.92Å; S122-T140 PolarHBondContact O-N 3.07Å; S122-T140 VanDerWaalsContact O-N 3.09Å; S122-T140 PolarHBondContact O-OG1 3.08Å; T124-T140 HydrophobicContact CG2-CG2 3.45Å; T124-T140 VanDerWaalsContact CG2-CG2 3.45Å; T140-S165 WeakPolarHBondContact O-CA 3.48Å; T140-S165 PolarHBondContact O-N 3.46Å |
| 141 | S | 86.3 | Confident | 87.4 | Confident | 46 Ų | 46 | 33.2 Ų | 33.2 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -18.4 | 177.2 | 51.3 | 0 | 0 | 0 | 0 | 114.4 | H121 S139 D143 | H121-S141 PolarHBondContact CD2-OG 2.83Å; S139-S141 PolarHBondContact O-N 3.29Å; S139-S141 PolarHBondContact OG-N 3.26Å; S139-S141 PolarHBondContact OG-OG 3.13Å; S141-D143 WeakPolarHBondContact CB-OD2 3.23Å; S141-D143 PolarHBondContact OG-OD2 3.26Å |
| 142 | G | 88.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 98.7 | 14.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S139 G161 H162 R164 | S139-G142 PolarHBondContact O-N 3.45Å; S139-G142 PolarHBondContact OG-N 3.02Å; S139-G142 VanDerWaalsContact OG-N 3.12Å; G142-G161 PolarHBondContact O-N 2.89Å; G142-H162 PolarHBondContact O-N 3.22Å; G142-R164 WeakPolarHBondContact CA-O 3.4Å |
| 143 | D | 89.3 | Confident | 87.5 | Confident | 23 Ų | 23 | 29.6 Ų | 29.6 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 149.9 | 176.6 | -54.6 | -68 | 0 | 0 | 0 | 110.6 | S139 S141 F159 S160 | S139-D143 WeakPolarHBondContact CB-O 3.5Å; S139-D143 PolarHBondContact N-O 2.81Å; S139-D143 PolarHBondContact OG-N 3.31Å; S139-D143 PolarHBondContact OG-O 3.46Å; S141-D143 WeakPolarHBondContact CB-OD2 3.23Å; S141-D143 PolarHBondContact OG-OD2 3.26Å; D143-F159 WeakPolarHBondContact CA-O 3.02Å; D143-S160 VanDerWaalsContact OD1-CA 3.31Å; D143-S160 WeakPolarHBondContact OD1-CA 3.3Å; D143-S160 VanDerWaalsContact OD1-CB 3.26Å; D143-S160 WeakPolarHBondContact OD1-CB 3.4Å; D143-S160 PolarHBondContact OD1-OG 3.32Å |
| 144 | V | 90.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137.6 | 169.8 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | C158 F159 I166 I169 L179 T181 F191 | V144-C158 CarbonylContact O-C 3.26Å; V144-C158 WeakPolarHBondContact O-CA 3.37Å; V144-F159 HydrophobicContact CB-CB 4.3Å; V144-F159 HydrophobicContact CB-CD2 4.24Å; V144-F159 HydrophobicContact CG1-CD2 4.39Å; V144-F159 PolarHBondContact N-O 3.44Å; V144-F159 PolarHBondContact O-N 3.41Å; V144-I166 HydrophobicContact CG2-CD1 3.71Å; V144-I169 HydrophobicContact CB-CD1 4.47Å; V144-I169 HydrophobicContact CG1-CD1 3.91Å; V144-I169 HydrophobicContact CG2-CD1 3.96Å; V144-L179 HydrophobicContact CG1-CD2 3.92Å; V144-T181 HydrophobicContact CG2-CG2 3.9Å; V144-F191 HydrophobicContact CG2-CE2 4.29Å |
| 145 | M | 89.3 | Confident | 87.1 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 11% | 0.108 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.8 | 174 | -63.3 | -178.8 | -71.4 | 0 | 0 | 110 | A136 T137 W147 | A136-M145 CarbonylContact C-O 3.57Å; A136-M145 WeakPolarHBondContact CA-O 3.43Å; T137-M145 PolarHBondContact N-O 3Å; T137-M145 PolarHBondContact O-N 3.24Å; M145-W147 HydrophobicContact CB-CZ2 4.01Å; M145-W147 HydrophobicContact CE-CZ2 4.07Å; M145-W147 HydrophobicContact SD-CZ2 3.95Å |
| 146 | L | 90.4 | Very high | 86.8 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.3 | 172 | -62.2 | -172.2 | 0 | 0 | 0 | 110.3 | L135 A136 Q155 T156 A157 F159 F171 L179 I193 | L135-L146 WeakPolarHBondContact O-CA 3.48Å; A136-L146 HydrophobicContact CB-CD2 3.67Å; L146-Q155 CarbonylContact O-C 3.56Å; L146-Q155 WeakPolarHBondContact O-CA 3.49Å; L146-T156 WeakPolarHBondContact CB-OG1 3.29Å; L146-T156 PolarHBondContact O-N 2.84Å; L146-T156 PolarHBondContact O-OG1 3.42Å; L146-A157 HydrophobicContact CB-CB 4.15Å; L146-A157 HydrophobicContact CD1-CB 4.24Å; L146-A157 HydrophobicContact CG-CB 4.33Å; L146-A157 PolarHBondContact N-O 3.48Å; L146-A157 PolarHBondContact O-N 3.08Å; L146-F159 HydrophobicContact CD1-CE2 3.64Å; L146-F159 HydrophobicContact CD1-CZ 3.69Å; L146-F159 HydrophobicContact CD2-CE2 4.46Å; L146-F159 HydrophobicContact CG-CE2 3.78Å; L146-F159 HydrophobicContact CG-CZ 4.13Å; L146-F171 HydrophobicContact CD2-CZ 4.25Å; L146-L179 HydrophobicContact CD2-CD2 4.15Å; L146-I193 HydrophobicContact CD1-CB 3.87Å; L146-I193 HydrophobicContact CD1-CG2 3.78Å |
| 147 | W | 88.5 | Confident | 86.4 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.8 | -178.6 | -49.1 | 84.7 | 0 | 0 | 0 | 109.1 | F45 I134 L135 T137 M145 T154 Q155 | F45-W147 HydrophobicContact CE1-CD2 4.25Å; F45-W147 HydrophobicContact CE1-CG 4.42Å; I134-W147 WeakPolarHBondContact CA-O 3.25Å; L135-W147 HydrophobicContact CB-CB 4.39Å; L135-W147 PolarHBondContact N-O 2.83Å; L135-W147 PolarHBondContact O-N 2.9Å; T137-W147 PolarHBondContact OG1-NE1 2.87Å; M145-W147 HydrophobicContact CB-CZ2 4.01Å; M145-W147 HydrophobicContact CE-CZ2 4.07Å; M145-W147 HydrophobicContact SD-CZ2 3.95Å; W147-T154 CarbonylContact C-O 3.44Å; W147-T154 WeakPolarHBondContact CA-O 3.34Å; W147-Q155 HydrophobicContact CE3-CB 3.95Å; W147-Q155 HydrophobicContact CH2-CB 4.33Å; W147-Q155 HydrophobicContact CZ3-CB 3.82Å; W147-Q155 HydrophobicContact CZ3-CG 4.46Å |
| 148 | D | 87.8 | Confident | 86.1 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 108.6 | 167.2 | -179 | -29.1 | 0 | 0 | 0 | 107.6 | G150 R151 M153 T154 T156 | D148-G150 PolarHBondContact OD1-N 3.43Å; D148-G150 VanDerWaalsContact OD1-N 3.16Å; D148-R151 HydrophobicContact CB-CB 4.24Å; D148-R151 WeakPolarHBondContact OD1-CG 3.18Å; D148-R151 PolarHBondContact OD1-N 2.83Å; D148-R151 WeakPolarHBondContact OD2-CD 3.38Å; D148-R151 WeakPolarHBondContact OD2-CG 3.5Å; D148-R151 IonicContact OD2-CZ 3.81Å; D148-R151 IonicContact OD2-NE 2.78Å; D148-R151 PolarHBondContact OD2-NE 2.97Å; D148-M153 CarbonylContact O-C 3.58Å; D148-M153 VanDerWaalsContact O-CA 3.23Å; D148-M153 WeakPolarHBondContact O-CA 3.15Å; D148-M153 PolarHBondContact O-N 2.94Å; D148-T154 PolarHBondContact N-O 2.94Å; D148-T154 PolarHBondContact O-N 3.28Å; D148-T156 HydrophobicContact CB-CG2 3.56Å |
| 149 | V | 85.7 | Confident | 85.8 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -38.9 | -176.7 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | M36 V47 W128 D133 L135 R151 G152 M153 | M36-V149 HydrophobicContact SD-CG1 4.26Å; V47-V149 HydrophobicContact CG1-CG1 4.4Å; W128-V149 HydrophobicContact CH2-CB 4.35Å; W128-V149 HydrophobicContact CH2-CG1 4.44Å; W128-V149 HydrophobicContact CH2-CG2 3.71Å; W128-V149 HydrophobicContact CZ3-CB 4.28Å; W128-V149 HydrophobicContact CZ3-CG2 3.59Å; D133-V149 HydrophobicContact CB-CB 4.14Å; D133-V149 WeakPolarHBondContact O-CB 3.36Å; D133-V149 WeakPolarHBondContact O-CG2 3.43Å; D133-V149 PolarHBondContact O-N 2.76Å; L135-V149 HydrophobicContact CB-CG2 3.99Å; L135-V149 HydrophobicContact CD2-CG2 4.18Å; V149-R151 PolarHBondContact O-N 3.41Å; V149-G152 WeakPolarHBondContact O-CA 3.34Å; V149-G152 PolarHBondContact O-N 3.2Å; V149-M153 HydrophobicContact CB-SD 4.15Å; V149-M153 HydrophobicContact CG1-CG 4.22Å; V149-M153 HydrophobicContact CG1-SD 3.94Å; V149-M153 HydrophobicContact CG2-SD 3.6Å; V149-M153 VanDerWaalsContact CG2-SD 3.6Å; V149-M153 PolarHBondContact O-N 2.77Å |
| 150 | G | 82.3 | Confident | 85.5 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 61% | 0.608 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D148 G152 | D148-G150 PolarHBondContact OD1-N 3.43Å; D148-G150 VanDerWaalsContact OD1-N 3.16Å; G150-G152 VanDerWaalsContact C-N 3.28Å; G150-G152 PolarHBondContact O-N 2.8Å |
| 151 | R | 82.4 | Confident | 84.6 | Confident | 187 Ų | 187 | 41.4 Ų | 41.4 | 71% | 0.706 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 28.2 | 169.1 | -62.8 | -177.9 | -152.2 | -135.1 | -6.1 | 113.5 | D148 V149 T154 | D148-R151 HydrophobicContact CB-CB 4.24Å; D148-R151 WeakPolarHBondContact OD1-CG 3.18Å; D148-R151 PolarHBondContact OD1-N 2.83Å; D148-R151 WeakPolarHBondContact OD2-CD 3.38Å; D148-R151 WeakPolarHBondContact OD2-CG 3.5Å; D148-R151 IonicContact OD2-CZ 3.81Å; D148-R151 IonicContact OD2-NE 2.78Å; D148-R151 PolarHBondContact OD2-NE 2.97Å; V149-R151 PolarHBondContact O-N 3.41Å; R151-T154 VanDerWaalsContact CB-OG1 3.3Å; R151-T154 WeakPolarHBondContact CB-OG1 3.4Å; R151-T154 WeakPolarHBondContact O-CG2 3.27Å; R151-T154 PolarHBondContact O-OG1 3.4Å |
| 152 | G | 77.6 | Confident | 84.6 | Confident | 45 Ų | 45 | 39.7 Ų | 39.7 | 46% | 0.464 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V149 G150 | V149-G152 WeakPolarHBondContact O-CA 3.34Å; V149-G152 PolarHBondContact O-N 3.2Å; G150-G152 VanDerWaalsContact C-N 3.28Å; G150-G152 PolarHBondContact O-N 2.8Å |
| 153 | M | 82.7 | Confident | 84.5 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 59.4 | 43.4 | -176.9 | -67.3 | -81 | -81.8 | 0 | 0 | 113.6 | F45 V47 H59 D148 V149 | F45-M153 HydrophobicContact CD1-CE 3.95Å; F45-M153 HydrophobicContact CE1-CE 3.34Å; F45-M153 HydrophobicContact CZ-CE 3.73Å; V47-M153 HydrophobicContact CG2-CE 3.6Å; V47-M153 HydrophobicContact CG2-SD 3.85Å; H59-M153 HydrophobicContact CB-CE 4.43Å; H59-M153 HydrophobicContact CB-CG 3.61Å; H59-M153 WeakPolarHBondContact CD2-CG 3.46Å; D148-M153 CarbonylContact O-C 3.58Å; D148-M153 VanDerWaalsContact O-CA 3.23Å; D148-M153 WeakPolarHBondContact O-CA 3.15Å; D148-M153 PolarHBondContact O-N 2.94Å; V149-M153 HydrophobicContact CB-SD 4.15Å; V149-M153 HydrophobicContact CG1-CG 4.22Å; V149-M153 HydrophobicContact CG1-SD 3.94Å; V149-M153 HydrophobicContact CG2-SD 3.6Å; V149-M153 VanDerWaalsContact CG2-SD 3.6Å; V149-M153 PolarHBondContact O-N 2.77Å |
| 154 | T | 82.5 | Confident | 84.6 | Confident | 66 Ų | 66 | 53 Ų | 53 | 41% | 0.405 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 131.7 | 173.3 | 43.1 | 0 | 0 | 0 | 0 | 110.5 | W147 D148 R151 T156 | W147-T154 CarbonylContact C-O 3.44Å; W147-T154 WeakPolarHBondContact CA-O 3.34Å; D148-T154 PolarHBondContact N-O 2.94Å; D148-T154 PolarHBondContact O-N 3.28Å; R151-T154 VanDerWaalsContact CB-OG1 3.3Å; R151-T154 WeakPolarHBondContact CB-OG1 3.4Å; R151-T154 WeakPolarHBondContact O-CG2 3.27Å; R151-T154 PolarHBondContact O-OG1 3.4Å; T154-T156 PolarHBondContact O-N 3.27Å; T154-T156 VanDerWaalsContact O-N 3.14Å |
| 155 | Q | 83.5 | Confident | 84.6 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 108.2 | 173.2 | -175.6 | 172.6 | 13.5 | 0 | 0 | 109.1 | L146 W147 A157 | L146-Q155 CarbonylContact O-C 3.56Å; L146-Q155 WeakPolarHBondContact O-CA 3.49Å; W147-Q155 HydrophobicContact CE3-CB 3.95Å; W147-Q155 HydrophobicContact CH2-CB 4.33Å; W147-Q155 HydrophobicContact CZ3-CB 3.82Å; W147-Q155 HydrophobicContact CZ3-CG 4.46Å; Q155-A157 PolarHBondContact NE2-O 3.29Å |
| 156 | T | 83.6 | Confident | 84.9 | Confident | 79 Ų | 79 | 53.2 Ų | 53.2 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -34.2 | 179.9 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | L146 D148 T154 | L146-T156 WeakPolarHBondContact CB-OG1 3.29Å; L146-T156 PolarHBondContact O-N 2.84Å; L146-T156 PolarHBondContact O-OG1 3.42Å; D148-T156 HydrophobicContact CB-CG2 3.56Å; T154-T156 PolarHBondContact O-N 3.27Å; T154-T156 VanDerWaalsContact O-N 3.14Å |
| 157 | A | 84.4 | Confident | 85 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 22% | 0.223 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 166 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L146 Q155 F159 | L146-A157 HydrophobicContact CB-CB 4.15Å; L146-A157 HydrophobicContact CD1-CB 4.24Å; L146-A157 HydrophobicContact CG-CB 4.33Å; L146-A157 PolarHBondContact N-O 3.48Å; L146-A157 PolarHBondContact O-N 3.08Å; Q155-A157 PolarHBondContact NE2-O 3.29Å; A157-F159 HydrophobicContact CB-CD1 4.27Å; A157-F159 HydrophobicContact CB-CE1 3.37Å; A157-F159 HydrophobicContact CB-CE2 4.41Å; A157-F159 HydrophobicContact CB-CZ 3.46Å; A157-F159 VanDerWaalsContact CB-CZ 3.46Å |
| 158 | C | 85.5 | Confident | 85.3 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 123.7 | 172.9 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | V144 | V144-C158 CarbonylContact O-C 3.26Å; V144-C158 WeakPolarHBondContact O-CA 3.37Å |
| 159 | F | 84.3 | Confident | 85.6 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 102.4 | -174.6 | -44.2 | -43.6 | 0 | 0 | 0 | 110.3 | D143 V144 L146 A157 G161 F191 P198 | D143-F159 WeakPolarHBondContact CA-O 3.02Å; V144-F159 HydrophobicContact CB-CB 4.3Å; V144-F159 HydrophobicContact CB-CD2 4.24Å; V144-F159 HydrophobicContact CG1-CD2 4.39Å; V144-F159 PolarHBondContact N-O 3.44Å; V144-F159 PolarHBondContact O-N 3.41Å; L146-F159 HydrophobicContact CD1-CE2 3.64Å; L146-F159 HydrophobicContact CD1-CZ 3.69Å; L146-F159 HydrophobicContact CD2-CE2 4.46Å; L146-F159 HydrophobicContact CG-CE2 3.78Å; L146-F159 HydrophobicContact CG-CZ 4.13Å; A157-F159 HydrophobicContact CB-CD1 4.27Å; A157-F159 HydrophobicContact CB-CE1 3.37Å; A157-F159 HydrophobicContact CB-CE2 4.41Å; A157-F159 HydrophobicContact CB-CZ 3.46Å; A157-F159 VanDerWaalsContact CB-CZ 3.46Å; F159-G161 PolarHBondContact O-N 2.85Å; F159-F191 HydrophobicContact CB-CE1 4.47Å; F159-P198 HydrophobicContact CD1-CG 3.28Å; F159-P198 HydrophobicContact CD2-CG 4.1Å; F159-P198 HydrophobicContact CE1-CG 3.16Å; F159-P198 HydrophobicContact CE2-CG 4.01Å; F159-P198 HydrophobicContact CG-CG 3.76Å; F159-P198 HydrophobicContact CZ-CG 3.56Å |
| 160 | S | 81.9 | Confident | 86 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 107.5 | 167.4 | -62.9 | 0 | 0 | 0 | 0 | 108.7 | D143 S199 | D143-S160 VanDerWaalsContact OD1-CA 3.31Å; D143-S160 WeakPolarHBondContact OD1-CA 3.3Å; D143-S160 VanDerWaalsContact OD1-CB 3.26Å; D143-S160 WeakPolarHBondContact OD1-CB 3.4Å; D143-S160 PolarHBondContact OD1-OG 3.32Å; S160-S199 PolarHBondContact O-OG 3.24Å |
| 161 | G | 70.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | trans | -119.5 | -48.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G142 F159 K189 | G142-G161 PolarHBondContact O-N 2.89Å; F159-G161 PolarHBondContact O-N 2.85Å; G161-K189 WeakPolarHBondContact O-CD 3.46Å; G161-K189 WeakPolarHBondContact O-CE 3.28Å; G161-K189 PolarHBondContact O-NZ 3.37Å | ||
| 162 | H | 86.7 | Confident | 87.1 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | trans | -109.9 | 155.6 | -172.6 | -79.1 | -81 | 0 | 0 | 0 | 112.6 | G142 R164 I166 T181 S183 D185 K187 | G142-H162 PolarHBondContact O-N 3.22Å; H162-R164 VanDerWaalsContact C-N 3.32Å; H162-R164 WeakPolarHBondContact CB-O 3.42Å; H162-I166 HydrophobicContact CB-CG1 4.34Å; H162-T181 PolarHBondContact CD2-OG1 3.3Å; H162-T181 PolarHBondContact NE2-OG1 3.43Å; H162-S183 VanDerWaalsContact CE1-CB 3.43Å; H162-S183 WeakPolarHBondContact CE1-CB 3.42Å; H162-S183 VanDerWaalsContact CG-CB 3.46Å; H162-S183 WeakPolarHBondContact ND1-CB 3.41Å; H162-D185 IonicContact CE1-OD1 2.62Å; H162-D185 IonicContact CG-OD2 2.76Å; H162-D185 IonicContact ND1-OD1 2.68Å; H162-D185 PolarHBondContact ND1-OD1 3.31Å; H162-D185 VanDerWaalsContact ND1-OD1 3.17Å; H162-D185 IonicContact ND1-OD2 2.8Å; H162-D185 PolarHBondContact ND1-OD2 3.48Å; H162-K187 PolarHBondContact CE1-O 3.09Å | ||
| 163 | N | 85.3 | Confident | 87.6 | Confident | 148 Ų | 148 | 43.3 Ų | 43.3 | 79% | 0.791 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -89.3 | 1.6 | 178.8 | -71.8 | -20.6 | 0 | 0 | 0 | 113.2 | D185 | N163-D185 PolarHBondContact N-OD2 3.18Š|
| 164 | R | 91.1 | Very high | 87.8 | Confident | 153 Ų | 153 | 46 Ų | 46 | 58% | 0.577 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -152.7 | 162.3 | -178.2 | -58.9 | -177 | -179 | -101.6 | 3.4 | 109.6 | G142 H162 I166 S183 Q184 D185 | G142-R164 WeakPolarHBondContact CA-O 3.4Å; H162-R164 VanDerWaalsContact C-N 3.32Å; H162-R164 WeakPolarHBondContact CB-O 3.42Å; R164-I166 PolarHBondContact O-N 3.06Å; R164-S183 PolarHBondContact O-OG 3.19Å; R164-Q184 HydrophobicContact CB-CB 3.89Å; R164-Q184 HydrophobicContact CB-CG 4.45Å; R164-D185 HydrophobicContact CB-CB 4.31Å; R164-D185 HydrophobicContact CG-CB 4.11Å |
| 165 | S | 91.8 | Very high | 88.2 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | trans | -35.5 | 128.8 | 172.2 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | T140 S183 Q184 | T140-S165 WeakPolarHBondContact O-CA 3.48Å; T140-S165 PolarHBondContact O-N 3.46Å; S165-S183 PolarHBondContact O-OG 3.04Å; S165-S183 VanDerWaalsContact O-OG 3.08Å; S165-Q184 PolarHBondContact O-N 2.54Å | ||
| 166 | I | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 141.9 | 164.5 | -63.2 | 166.7 | 0 | 0 | 0 | 107.1 | T124 A138 S139 V144 H162 R164 C168 I169 A182 | T124-I166 VanDerWaalsContact CB-O 3.28Å; T124-I166 WeakPolarHBondContact CB-O 3.47Å; T124-I166 PolarHBondContact OG1-O 2.92Å; A138-I166 HydrophobicContact CB-CB 4.16Å; A138-I166 HydrophobicContact CB-CG2 3.83Å; S139-I166 PolarHBondContact O-N 3.49Å; V144-I166 HydrophobicContact CG2-CD1 3.71Å; H162-I166 HydrophobicContact CB-CG1 4.34Å; R164-I166 PolarHBondContact O-N 3.06Å; I166-C168 WeakPolarHBondContact CG2-O 3.43Å; I166-I169 HydrophobicContact CD1-CD1 4.43Å; I166-I169 HydrophobicContact CG2-CD1 4.07Å; I166-I169 HydrophobicContact CG2-CG1 3.6Å; I166-A182 CarbonylContact C-O 3.58Å; I166-A182 WeakPolarHBondContact CA-O 3.43Å; I166-A182 WeakPolarHBondContact CG2-O 3.18Å |
| 167 | H | 93.6 | Very high | 88.5 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -32.5 | 178.9 | -72.7 | -57.5 | 0 | 0 | 0 | 113 | A182 Q184 V215 R216 | H167-A182 PolarHBondContact N-O 3.42Å; H167-Q184 PolarHBondContact CE1-OE1 3.49Å; H167-Q184 VanDerWaalsContact CE1-OE1 3.29Å; H167-Q184 PolarHBondContact NE2-OE1 3.15Å; H167-V215 PolarHBondContact CD2-O 2.97Å; H167-V215 VanDerWaalsContact CD2-O 3.22Å; H167-R216 PolarHBondContact CE1-NH1 3.08Å; H167-R216 PolarHBondContact ND1-NH1 2.97Å |
| 168 | C | 94.5 | Very high | 88.9 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 145.8 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 111 | D125 I166 A182 D217 V218 | D125-C168 WeakPolarHBondContact OD2-CA 3.46Å; D125-C168 PolarHBondContact OD2-SG 2.92Å; D125-C168 VanDerWaalsContact OD2-SG 3.4Å; I166-C168 WeakPolarHBondContact CG2-O 3.43Å; C168-A182 PolarHBondContact O-N 3.24Å; C168-D217 PolarHBondContact SG-OD1 3.45Å; C168-D217 VanDerWaalsContact SG-OD1 3.4Å; C168-V218 HydrophobicContact CB-CG1 4.13Å |
| 169 | I | 94.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.3 | 173 | -66 | -165.2 | 0 | 0 | 0 | 109.6 | D125 S127 A136 A138 V144 I166 L179 V180 T181 | D125-I169 PolarHBondContact OD2-N 3.29Å; S127-I169 WeakPolarHBondContact CB-O 3.5Å; S127-I169 PolarHBondContact OG-O 3Å; A136-I169 HydrophobicContact CB-CG2 4.31Å; A138-I169 HydrophobicContact CB-CD1 3.33Å; A138-I169 HydrophobicContact CB-CG1 3.6Å; V144-I169 HydrophobicContact CB-CD1 4.47Å; V144-I169 HydrophobicContact CG1-CD1 3.91Å; V144-I169 HydrophobicContact CG2-CD1 3.96Å; I166-I169 HydrophobicContact CD1-CD1 4.43Å; I166-I169 HydrophobicContact CG2-CD1 4.07Å; I166-I169 HydrophobicContact CG2-CG1 3.6Å; I169-L179 HydrophobicContact CG2-CD1 3.33Å; I169-L179 HydrophobicContact CG2-CD2 4.27Å; I169-L179 HydrophobicContact CG2-CG 3.94Å; I169-V180 WeakPolarHBondContact CA-O 3.32Å; I169-T181 HydrophobicContact CB-CG2 4.44Å; I169-T181 HydrophobicContact CD1-CG2 3.67Å; I169-T181 HydrophobicContact CG1-CG2 3.67Å; I169-T181 HydrophobicContact CG2-CG2 4.25Å |
| 170 | H | 94.6 | Very high | 89.7 | Confident | 39 Ų | 39 | 37.8 Ų | 37.8 | 18% | 0.181 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 123.6 | 179.7 | -152.4 | -70.3 | 0 | 0 | 0 | 110 | V180 V218 S219 F220 | H170-V180 HydrophobicContact CB-CG1 4.2Å; H170-V180 PolarHBondContact N-O 2.91Å; H170-V180 PolarHBondContact O-N 2.71Å; H170-V218 PolarHBondContact CD2-O 2.97Å; H170-S219 PolarHBondContact NE2-OG 2.97Å; H170-F220 HydrophobicContact CB-CD2 4.31Å; H170-F220 AromaticContact ND1-CD2 3.89Å; H170-F220 WeakPolarHBondContact O-CE2 3.4Å |
| 171 | F | 94 | Very high | 90.3 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 150.1 | 164.6 | -85 | -81.5 | 0 | 0 | 0 | 110.6 | S127 W128 I134 A136 L146 P173 S176 L179 I193 F220 | S127-F171 WeakPolarHBondContact O-CE2 3.34Å; S127-F171 PolarHBondContact OG-N 3.46Å; W128-F171 WeakPolarHBondContact O-CD2 3.14Å; I134-F171 HydrophobicContact CG2-CZ 4.43Å; A136-F171 HydrophobicContact CB-CD2 4.47Å; A136-F171 HydrophobicContact CB-CE2 3.51Å; A136-F171 HydrophobicContact CB-CZ 3.96Å; L146-F171 HydrophobicContact CD2-CZ 4.25Å; F171-P173 WeakPolarHBondContact O-CD 3.04Å; F171-S176 WeakPolarHBondContact CD1-O 3.42Å; F171-L179 HydrophobicContact CB-CD1 4.38Å; F171-L179 HydrophobicContact CD1-CB 4.27Å; F171-L179 HydrophobicContact CD1-CD1 3.81Å; F171-L179 HydrophobicContact CD2-CD1 3.6Å; F171-L179 HydrophobicContact CE1-CB 4.18Å; F171-L179 HydrophobicContact CE1-CD1 3.91Å; F171-L179 HydrophobicContact CE1-CG 4.44Å; F171-L179 HydrophobicContact CE2-CD1 3.74Å; F171-L179 HydrophobicContact CG-CD1 3.66Å; F171-L179 HydrophobicContact CZ-CD1 3.88Å; F171-L179 HydrophobicContact CZ-CD2 4.3Å; F171-I193 HydrophobicContact CE1-CD1 4.2Å; F171-I193 HydrophobicContact CE1-CG2 4.06Å; F171-F220 WeakPolarHBondContact O-CD2 3.28Å |
| 172 | N | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -74.5 | 119.1 | 169.8 | -178.4 | -20 | 0 | 0 | 0 | 108.7 | T174 I175 E178 F220 G225 | N172-T174 PolarHBondContact O-N 3.05Å; N172-T174 PolarHBondContact OD1-N 3.2Å; N172-T174 PolarHBondContact OD1-OG1 2.94Å; N172-I175 HydrophobicContact CB-CB 4.38Å; N172-I175 WeakPolarHBondContact CB-O 3.21Å; N172-I175 CarbonylContact O-C 3.56Å; N172-I175 PolarHBondContact O-N 3.46Å; N172-I175 PolarHBondContact OD1-N 3.29Å; N172-E178 HydrophobicContact CB-CB 3.7Å; N172-E178 PolarHBondContact N-O 3.42Å; N172-E178 PolarHBondContact ND2-OE2 3.14Å; N172-F220 HydrophobicContact CB-CD1 3.9Å; N172-F220 HydrophobicContact CB-CD2 4.02Å; N172-F220 HydrophobicContact CB-CE1 3.69Å; N172-F220 HydrophobicContact CB-CE2 3.8Å; N172-F220 HydrophobicContact CB-CG 4.06Å; N172-F220 HydrophobicContact CB-CZ 3.63Å; N172-G225 PolarHBondContact ND2-O 3.18Å; N172-G225 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 173 | P | 88.2 | Confident | 91.9 | Very high | 58 Ų | 58 | 33 Ų | 33 | 38% | 0.377 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -65.5 | -27.6 | -176.5 | 25.7 | -32.9 | 0 | 0 | 0 | 112.6 | S130 F171 F220 | S130-P173 PolarHBondContact OG-O 3.33Å; F171-P173 WeakPolarHBondContact O-CD 3.04Å; P173-F220 HydrophobicContact CG-CB 4.43Å |
| 174 | T | 87.3 | Confident | 92.3 | Very high | 73 Ų | 73 | 28.6 Ų | 28.6 | 45% | 0.448 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -92 | -29.9 | -178.3 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | N172 P222 G225 | N172-T174 PolarHBondContact O-N 3.05Å; N172-T174 PolarHBondContact OD1-N 3.2Å; N172-T174 PolarHBondContact OD1-OG1 2.94Å; T174-P222 WeakPolarHBondContact CG2-O 3.49Å; T174-G225 VanDerWaalsContact OG1-CA 3.23Å; T174-G225 WeakPolarHBondContact OG1-CA 3.44Å |
| 175 | I | 89.9 | Confident | 92.3 | Very high | 70 Ų | 70 | 22.4 Ų | 22.4 | 36% | 0.359 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -121.7 | 84.2 | 178 | -51.9 | 176.7 | 0 | 0 | 0 | 107.2 | N172 T177 E178 | N172-I175 HydrophobicContact CB-CB 4.38Å; N172-I175 WeakPolarHBondContact CB-O 3.21Å; N172-I175 CarbonylContact O-C 3.56Å; N172-I175 PolarHBondContact O-N 3.46Å; N172-I175 PolarHBondContact OD1-N 3.29Å; I175-T177 PolarHBondContact O-N 2.68Å; I175-E178 HydrophobicContact CB-CB 4.46Å; I175-E178 HydrophobicContact CB-CG 4.39Å; I175-E178 HydrophobicContact CG2-CB 4.41Å; I175-E178 HydrophobicContact CG2-CG 4Å; I175-E178 PolarHBondContact O-N 3.44Å |
| 176 | S | 86.9 | Confident | 92.2 | Very high | 25 Ų | 25 | 21.7 Ų | 21.7 | 18% | 0.175 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -16.8 | -171.9 | 60.1 | 0 | 0 | 0 | 0 | 116 | S129 S130 V131 F171 | S129-S176 PolarHBondContact OG-O 2.78Å; S130-S176 VanDerWaalsContact OG-CB 3.3Å; S130-S176 WeakPolarHBondContact OG-CB 3.35Å; V131-S176 VanDerWaalsContact CG2-CB 3.49Å; V131-S176 VanDerWaalsContact CG2-OG 3.31Å; V131-S176 WeakPolarHBondContact CG2-OG 3.46Å; F171-S176 WeakPolarHBondContact CD1-O 3.42Å |
| 177 | T | 88.1 | Confident | 92.2 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 14% | 0.135 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -14.2 | 178.3 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | I175 D192 I193 R194 | I175-T177 PolarHBondContact O-N 2.68Å; T177-D192 WeakPolarHBondContact O-CA 3.49Å; T177-I193 HydrophobicContact CG2-CG1 4.46Å; T177-I193 PolarHBondContact O-N 3Å; T177-R194 HydrophobicContact CG2-CG 3.82Å; T177-R194 PolarHBondContact OG1-NE 2.98Å; T177-R194 PolarHBondContact OG1-NH2 2.76Å |
| 178 | E | 91.2 | Very high | 92.2 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.8 | 177.4 | -79.9 | -173.9 | 172.7 | 0 | 0 | 111.8 | N172 I175 L190 F191 | N172-E178 HydrophobicContact CB-CB 3.7Å; N172-E178 PolarHBondContact N-O 3.42Å; N172-E178 PolarHBondContact ND2-OE2 3.14Å; I175-E178 HydrophobicContact CB-CB 4.46Å; I175-E178 HydrophobicContact CB-CG 4.39Å; I175-E178 HydrophobicContact CG2-CB 4.41Å; I175-E178 HydrophobicContact CG2-CG 4Å; I175-E178 PolarHBondContact O-N 3.44Å; E178-L190 HydrophobicContact CB-CD1 4.05Å; E178-L190 HydrophobicContact CG-CD1 4.27Å; E178-F191 WeakPolarHBondContact CA-O 3.38Å |
| 179 | L | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 121.2 | -179.5 | -175.3 | 63.8 | 0 | 0 | 0 | 109.9 | A136 V144 L146 I169 F171 L190 F191 I193 | A136-L179 HydrophobicContact CB-CD1 4.27Å; A136-L179 HydrophobicContact CB-CD2 3.95Å; V144-L179 HydrophobicContact CG1-CD2 3.92Å; L146-L179 HydrophobicContact CD2-CD2 4.15Å; I169-L179 HydrophobicContact CG2-CD1 3.33Å; I169-L179 HydrophobicContact CG2-CD2 4.27Å; I169-L179 HydrophobicContact CG2-CG 3.94Å; F171-L179 HydrophobicContact CB-CD1 4.38Å; F171-L179 HydrophobicContact CD1-CB 4.27Å; F171-L179 HydrophobicContact CD1-CD1 3.81Å; F171-L179 HydrophobicContact CD2-CD1 3.6Å; F171-L179 HydrophobicContact CE1-CB 4.18Å; F171-L179 HydrophobicContact CE1-CD1 3.91Å; F171-L179 HydrophobicContact CE1-CG 4.44Å; F171-L179 HydrophobicContact CE2-CD1 3.74Å; F171-L179 HydrophobicContact CG-CD1 3.66Å; F171-L179 HydrophobicContact CZ-CD1 3.88Å; F171-L179 HydrophobicContact CZ-CD2 4.3Å; L179-L190 WeakPolarHBondContact O-CA 3.49Å; L179-F191 PolarHBondContact N-O 2.84Å; L179-F191 PolarHBondContact O-N 2.88Å; L179-I193 HydrophobicContact CB-CG2 4.36Å |
| 180 | V | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 140.3 | 175.8 | 88.8 | 0 | 0 | 0 | 0 | 111.4 | I169 H170 L188 K189 L190 V218 F220 V228 | I169-V180 WeakPolarHBondContact CA-O 3.32Å; H170-V180 HydrophobicContact CB-CG1 4.2Å; H170-V180 PolarHBondContact N-O 2.91Å; H170-V180 PolarHBondContact O-N 2.71Å; V180-L188 HydrophobicContact CG2-CB 4.47Å; V180-K189 CarbonylContact C-O 3.58Å; V180-K189 VanDerWaalsContact CA-O 3.27Å; V180-K189 WeakPolarHBondContact CA-O 3.39Å; V180-K189 WeakPolarHBondContact CG2-O 3.16Å; V180-L190 HydrophobicContact CB-CD1 4.27Å; V180-L190 HydrophobicContact CG2-CB 4.44Å; V180-L190 HydrophobicContact CG2-CD1 4.42Å; V180-V218 HydrophobicContact CG1-CG1 4.02Å; V180-V218 HydrophobicContact CG1-CG2 3.7Å; V180-F220 HydrophobicContact CB-CE2 3.58Å; V180-F220 HydrophobicContact CB-CZ 3.87Å; V180-F220 HydrophobicContact CG1-CD2 3.98Å; V180-F220 HydrophobicContact CG1-CE2 3.49Å; V180-F220 VanDerWaalsContact CG1-CE2 3.49Å; V180-F220 HydrophobicContact CG1-CZ 4.17Å; V180-V228 HydrophobicContact CG1-CG1 4.22Å; V180-V228 HydrophobicContact CG2-CG1 4.49Å |
| 181 | T | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135.2 | -178.4 | 71.9 | 0 | 0 | 0 | 0 | 111.5 | V144 H162 I169 L188 K189 F191 | V144-T181 HydrophobicContact CG2-CG2 3.9Å; H162-T181 PolarHBondContact CD2-OG1 3.3Å; H162-T181 PolarHBondContact NE2-OG1 3.43Å; I169-T181 HydrophobicContact CB-CG2 4.44Å; I169-T181 HydrophobicContact CD1-CG2 3.67Å; I169-T181 HydrophobicContact CG1-CG2 3.67Å; I169-T181 HydrophobicContact CG2-CG2 4.25Å; T181-L188 WeakPolarHBondContact O-CA 3.27Å; T181-K189 PolarHBondContact N-O 3.47Å; T181-K189 PolarHBondContact O-N 3.21Å; T181-F191 HydrophobicContact CG2-CD2 4.11Å; T181-F191 HydrophobicContact CG2-CE2 3.83Å |
| 182 | A | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I166 H167 C168 L188 V215 V218 | I166-A182 CarbonylContact C-O 3.58Å; I166-A182 WeakPolarHBondContact CA-O 3.43Å; I166-A182 WeakPolarHBondContact CG2-O 3.18Å; H167-A182 PolarHBondContact N-O 3.42Å; C168-A182 PolarHBondContact O-N 3.24Å; A182-L188 HydrophobicContact CB-CD2 3.79Å; A182-V215 HydrophobicContact CB-CB 3.96Å; A182-V215 HydrophobicContact CB-CG1 3.64Å; A182-V218 HydrophobicContact CB-CB 3.91Å; A182-V218 HydrophobicContact CB-CG1 3.62Å |
| 183 | S | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 156.6 | -173.8 | 179.1 | 0 | 0 | 0 | 0 | 115 | H162 R164 S165 D185 G186 K187 V215 | H162-S183 VanDerWaalsContact CE1-CB 3.43Å; H162-S183 WeakPolarHBondContact CE1-CB 3.42Å; H162-S183 VanDerWaalsContact CG-CB 3.46Å; H162-S183 WeakPolarHBondContact ND1-CB 3.41Å; R164-S183 PolarHBondContact O-OG 3.19Å; S165-S183 PolarHBondContact O-OG 3.04Å; S165-S183 VanDerWaalsContact O-OG 3.08Å; S183-D185 WeakPolarHBondContact CB-OD1 3.27Å; S183-D185 PolarHBondContact O-N 2.9Å; S183-D185 VanDerWaalsContact O-N 3.1Å; S183-D185 PolarHBondContact OG-N 2.95Å; S183-D185 VanDerWaalsContact OG-N 3.17Å; S183-G186 PolarHBondContact O-N 3.29Å; S183-K187 PolarHBondContact N-O 3.02Å; S183-V215 PolarHBondContact O-N 2.87Å |
| 184 | Q | 94.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 31 Ų | 31 | 26% | 0.262 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -14.8 | 165.5 | -171.8 | 70.3 | 54.9 | 0 | 0 | 113.4 | R164 S165 H167 G186 | R164-Q184 HydrophobicContact CB-CB 3.89Å; R164-Q184 HydrophobicContact CB-CG 4.45Å; S165-Q184 PolarHBondContact O-N 2.54Å; H167-Q184 PolarHBondContact CE1-OE1 3.49Å; H167-Q184 VanDerWaalsContact CE1-OE1 3.29Å; H167-Q184 PolarHBondContact NE2-OE1 3.15Å; Q184-G186 VanDerWaalsContact C-N 3.26Å |
| 185 | D | 91 | Very high | 91.1 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4.3 | 173.3 | 72.6 | 13.8 | 0 | 0 | 0 | 114.6 | H162 N163 R164 S183 K187 | H162-D185 IonicContact CE1-OD1 2.62Å; H162-D185 IonicContact CG-OD2 2.76Å; H162-D185 IonicContact ND1-OD1 2.68Å; H162-D185 PolarHBondContact ND1-OD1 3.31Å; H162-D185 VanDerWaalsContact ND1-OD1 3.17Å; H162-D185 IonicContact ND1-OD2 2.8Å; H162-D185 PolarHBondContact ND1-OD2 3.48Å; N163-D185 PolarHBondContact N-OD2 3.18Å; R164-D185 HydrophobicContact CB-CB 4.31Å; R164-D185 HydrophobicContact CG-CB 4.11Å; S183-D185 WeakPolarHBondContact CB-OD1 3.27Å; S183-D185 PolarHBondContact O-N 2.9Å; S183-D185 VanDerWaalsContact O-N 3.1Å; S183-D185 PolarHBondContact OG-N 2.95Å; S183-D185 VanDerWaalsContact OG-N 3.17Å; D185-K187 VanDerWaalsContact OD1-CB 3.29Å; D185-K187 WeakPolarHBondContact OD1-CB 3.27Å; D185-K187 WeakPolarHBondContact OD1-CG 3.38Å; D185-K187 PolarHBondContact OD1-N 3.23Å |
| 186 | G | 91 | Very high | 90.2 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 78.9 | 17.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S183 Q184 S213 | S183-G186 PolarHBondContact O-N 3.29Å; Q184-G186 VanDerWaalsContact C-N 3.26Å; G186-S213 WeakPolarHBondContact CA-O 3.39Å |
| 187 | K | 92.5 | Very high | 89.7 | Confident | 74 Ų | 74 | 37.2 Ų | 37.2 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | trans | -110.9 | 150.2 | 173 | -53.3 | 179.3 | 172 | -170.3 | 0 | 110.3 | H162 S183 D185 I204 F206 | H162-K187 PolarHBondContact CE1-O 3.09Å; S183-K187 PolarHBondContact N-O 3.02Å; D185-K187 VanDerWaalsContact OD1-CB 3.29Å; D185-K187 WeakPolarHBondContact OD1-CB 3.27Å; D185-K187 WeakPolarHBondContact OD1-CG 3.38Å; D185-K187 PolarHBondContact OD1-N 3.23Å; K187-I204 HydrophobicContact CB-CG2 4.18Å; K187-I204 HydrophobicContact CD-CG2 3.87Å; K187-I204 HydrophobicContact CG-CG2 4.37Å; K187-F206 HydrophobicContact CB-CB 4.41Å; K187-F206 HydrophobicContact CG-CB 4.03Å | ||
| 188 | L | 93.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 147.8 | 154.8 | -53.9 | 173.4 | 0 | 0 | 0 | 108.5 | V180 T181 A182 F205 V215 V218 V228 A230 W240 | V180-L188 HydrophobicContact CG2-CB 4.47Å; T181-L188 WeakPolarHBondContact O-CA 3.27Å; A182-L188 HydrophobicContact CB-CD2 3.79Å; L188-F205 HydrophobicContact CB-CB 4.13Å; L188-F205 HydrophobicContact CB-CD2 4.45Å; L188-F205 HydrophobicContact CD1-CB 4.36Å; L188-F205 PolarHBondContact N-O 2.88Å; L188-F205 PolarHBondContact O-N 2.85Å; L188-V215 HydrophobicContact CD2-CB 4.4Å; L188-V215 HydrophobicContact CD2-CG1 3.91Å; L188-V215 HydrophobicContact CD2-CG2 4.28Å; L188-V218 HydrophobicContact CD2-CB 4.28Å; L188-V218 HydrophobicContact CD2-CG2 3.91Å; L188-V228 HydrophobicContact CD1-CG1 4.34Å; L188-A230 HydrophobicContact CD1-CB 3.8Å; L188-A230 HydrophobicContact CD2-CB 4Å; L188-A230 HydrophobicContact CG-CB 4.36Å; L188-W240 HydrophobicContact CD1-CG 4.27Å |
| 189 | K | 93.1 | Very high | 88.2 | Confident | 21 Ų | 21 | 37.6 Ų | 37.6 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.6 | 169.1 | -82.1 | -167.1 | 150.7 | -154.6 | 0 | 110.1 | G161 V180 T181 F191 C202 Q203 I204 | G161-K189 WeakPolarHBondContact O-CD 3.46Å; G161-K189 WeakPolarHBondContact O-CE 3.28Å; G161-K189 PolarHBondContact O-NZ 3.37Å; V180-K189 CarbonylContact C-O 3.58Å; V180-K189 VanDerWaalsContact CA-O 3.27Å; V180-K189 WeakPolarHBondContact CA-O 3.39Å; V180-K189 WeakPolarHBondContact CG2-O 3.16Å; T181-K189 PolarHBondContact N-O 3.47Å; T181-K189 PolarHBondContact O-N 3.21Å; K189-F191 HydrophobicContact CB-CD2 4.43Å; K189-F191 HydrophobicContact CB-CE2 3.71Å; K189-F191 HydrophobicContact CB-CZ 3.9Å; K189-F191 HydrophobicContact CD-CE1 4.49Å; K189-F191 HydrophobicContact CD-CE2 4.49Å; K189-F191 HydrophobicContact CD-CZ 3.85Å; K189-C202 WeakPolarHBondContact CB-SG 3.26Å; K189-C202 VanDerWaalsContact CD-SG 3.53Å; K189-C202 WeakPolarHBondContact CG-SG 3.3Å; K189-Q203 WeakPolarHBondContact CA-O 3.3Å; K189-I204 HydrophobicContact CG-CG1 4.33Å |
| 190 | L | 93.3 | Very high | 86.9 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.2 | 169.5 | -178.5 | 68 | 0 | 0 | 0 | 108.3 | E178 L179 V180 C202 Q203 F205 F220 T242 | E178-L190 HydrophobicContact CB-CD1 4.05Å; E178-L190 HydrophobicContact CG-CD1 4.27Å; L179-L190 WeakPolarHBondContact O-CA 3.49Å; V180-L190 HydrophobicContact CB-CD1 4.27Å; V180-L190 HydrophobicContact CG2-CB 4.44Å; V180-L190 HydrophobicContact CG2-CD1 4.42Å; L190-C202 CarbonylContact O-C 3.59Å; L190-C202 WeakPolarHBondContact O-CA 3.39Å; L190-C202 PolarHBondContact O-SG 2.92Å; L190-Q203 HydrophobicContact CB-CB 4.3Å; L190-Q203 PolarHBondContact N-O 2.86Å; L190-Q203 PolarHBondContact O-N 2.97Å; L190-Q203 VanDerWaalsContact O-N 3.09Å; L190-F205 HydrophobicContact CB-CE2 3.71Å; L190-F205 HydrophobicContact CD2-CE2 4.32Å; L190-F205 HydrophobicContact CD2-CZ 4.33Å; L190-F220 HydrophobicContact CD1-CZ 3.81Å; L190-T242 HydrophobicContact CD2-CG2 3.89Å |
| 191 | F | 91.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.3 | 174.6 | -57 | -86.6 | 0 | 0 | 0 | 109.2 | V144 F159 E178 L179 T181 K189 P198 C202 | V144-F191 HydrophobicContact CG2-CE2 4.29Å; F159-F191 HydrophobicContact CB-CE1 4.47Å; E178-F191 WeakPolarHBondContact CA-O 3.38Å; L179-F191 PolarHBondContact N-O 2.84Å; L179-F191 PolarHBondContact O-N 2.88Å; T181-F191 HydrophobicContact CG2-CD2 4.11Å; T181-F191 HydrophobicContact CG2-CE2 3.83Å; K189-F191 HydrophobicContact CB-CD2 4.43Å; K189-F191 HydrophobicContact CB-CE2 3.71Å; K189-F191 HydrophobicContact CB-CZ 3.9Å; K189-F191 HydrophobicContact CD-CE1 4.49Å; K189-F191 HydrophobicContact CD-CE2 4.49Å; K189-F191 HydrophobicContact CD-CZ 3.85Å; F191-P198 HydrophobicContact CB-CB 4.41Å; F191-P198 HydrophobicContact CD1-CB 4.13Å; F191-C202 HydrophobicContact CD1-CB 3.71Å; F191-C202 HydrophobicContact CE1-CB 3.76Å |
| 192 | D | 89.4 | Confident | 85.1 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 17% | 0.171 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.6 | 160.7 | -167.5 | -33.1 | 0 | 0 | 0 | 108.1 | T177 R194 D195 P198 | T177-D192 WeakPolarHBondContact O-CA 3.49Å; D192-R194 PolarHBondContact O-N 2.84Å; D192-R194 WeakPolarHBondContact OD1-CB 3.21Å; D192-R194 VanDerWaalsContact OD1-CG 3.31Å; D192-R194 WeakPolarHBondContact OD1-CG 3.48Å; D192-R194 IonicContact OD1-CZ 3.88Å; D192-R194 PolarHBondContact OD1-N 2.87Å; D192-R194 IonicContact OD1-NE 2.99Å; D192-R194 PolarHBondContact OD1-NE 3.14Å; D192-R194 IonicContact OD1-NH2 3.93Å; D192-R194 IonicContact OD2-CZ 3.24Å; D192-R194 VanDerWaalsContact OD2-CZ 3.24Å; D192-R194 IonicContact OD2-NE 3.02Å; D192-R194 PolarHBondContact OD2-NE 2.8Å; D192-R194 IonicContact OD2-NH2 2.66Å; D192-R194 PolarHBondContact OD2-NH2 2.87Å; D192-D195 PolarHBondContact O-N 3.42Å; D192-P198 WeakPolarHBondContact O-CB 3.38Å |
| 193 | I | 87 | Confident | 84.6 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.185 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11.9 | -179.7 | 74.2 | -174.5 | 0 | 0 | 0 | 113 | L146 F171 T177 L179 | L146-I193 HydrophobicContact CD1-CB 3.87Å; L146-I193 HydrophobicContact CD1-CG2 3.78Å; F171-I193 HydrophobicContact CE1-CD1 4.2Å; F171-I193 HydrophobicContact CE1-CG2 4.06Å; T177-I193 HydrophobicContact CG2-CG1 4.46Å; T177-I193 PolarHBondContact O-N 3Å; L179-I193 HydrophobicContact CB-CG2 4.36Å |
| 194 | R | 85.6 | Confident | 84.3 | Confident | 166 Ų | 166 | 53.8 Ų | 53.8 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -25.9 | 175.1 | -62.3 | 175 | -73.1 | -164.1 | 3.9 | 112.8 | T177 D192 | T177-R194 HydrophobicContact CG2-CG 3.82Å; T177-R194 PolarHBondContact OG1-NE 2.98Å; T177-R194 PolarHBondContact OG1-NH2 2.76Å; D192-R194 PolarHBondContact O-N 2.84Å; D192-R194 WeakPolarHBondContact OD1-CB 3.21Å; D192-R194 VanDerWaalsContact OD1-CG 3.31Å; D192-R194 WeakPolarHBondContact OD1-CG 3.48Å; D192-R194 IonicContact OD1-CZ 3.88Å; D192-R194 PolarHBondContact OD1-N 2.87Å; D192-R194 IonicContact OD1-NE 2.99Å; D192-R194 PolarHBondContact OD1-NE 3.14Å; D192-R194 IonicContact OD1-NH2 3.93Å; D192-R194 IonicContact OD2-CZ 3.24Å; D192-R194 VanDerWaalsContact OD2-CZ 3.24Å; D192-R194 IonicContact OD2-NE 3.02Å; D192-R194 PolarHBondContact OD2-NE 2.8Å; D192-R194 IonicContact OD2-NH2 2.66Å; D192-R194 PolarHBondContact OD2-NH2 2.87Å |
| 195 | D | 83.3 | Confident | 84 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -71.7 | 130 | -179.1 | -81.5 | -34.7 | 0 | 0 | 0 | 110.3 | D192 N197 P198 S201 | D192-D195 PolarHBondContact O-N 3.42Å; D195-N197 PolarHBondContact O-N 2.91Å; D195-P198 HydrophobicContact CB-CB 4.04Å; D195-P198 VanDerWaalsContact O-CD 3.28Å; D195-P198 WeakPolarHBondContact O-CD 3.43Å; D195-S201 WeakPolarHBondContact OD2-CB 3.45Å; D195-S201 PolarHBondContact OD2-OG 2.88Å |
| 196 | P | 72 | Confident | 83.8 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 77% | 0.773 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -72.6 | -13.9 | 179.9 | 29.1 | -35.5 | 0 | 0 | 0 | 113.3 | ||
| 197 | N | 76.3 | Confident | 83.3 | Confident | 115 Ų | 115 | 56.8 Ų | 56.8 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -135.9 | 64.7 | 176.1 | -74.4 | -64.5 | 0 | 0 | 0 | 110.3 | D195 S199 S200 | D195-N197 PolarHBondContact O-N 2.91Å; N197-S199 PolarHBondContact O-N 2.81Å; N197-S200 WeakPolarHBondContact O-CB 3.02Å; N197-S200 PolarHBondContact O-N 2.89Å |
| 198 | P | 74.1 | Confident | 82.5 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.9 | -14.5 | -168.7 | 30.8 | -30.9 | 0 | 0 | 0 | 112.3 | F159 F191 D192 D195 S200 S201 C202 | F159-P198 HydrophobicContact CD1-CG 3.28Å; F159-P198 HydrophobicContact CD2-CG 4.1Å; F159-P198 HydrophobicContact CE1-CG 3.16Å; F159-P198 HydrophobicContact CE2-CG 4.01Å; F159-P198 HydrophobicContact CG-CG 3.76Å; F159-P198 HydrophobicContact CZ-CG 3.56Å; F191-P198 HydrophobicContact CB-CB 4.41Å; F191-P198 HydrophobicContact CD1-CB 4.13Å; D192-P198 WeakPolarHBondContact O-CB 3.38Å; D195-P198 HydrophobicContact CB-CB 4.04Å; D195-P198 VanDerWaalsContact O-CD 3.28Å; D195-P198 WeakPolarHBondContact O-CD 3.43Å; P198-S200 PolarHBondContact O-N 2.83Å; P198-S200 VanDerWaalsContact O-N 3.15Å; P198-S201 WeakPolarHBondContact CA-OG 3.4Å; P198-S201 PolarHBondContact O-N 2.94Å; P198-C202 WeakPolarHBondContact O-CA 3.46Å; P198-C202 WeakPolarHBondContact O-CB 3.23Å; P198-C202 PolarHBondContact O-N 2.9Å |
| 199 | S | 73.2 | Confident | 81.7 | Confident | 56 Ų | 56 | 66 Ų | 66 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.2 | -17.7 | 164.6 | -65.9 | 0 | 0 | 0 | 0 | 113.7 | S160 N197 | S160-S199 PolarHBondContact O-OG 3.24Å; N197-S199 PolarHBondContact O-N 2.81Å |
| 200 | S | 66.4 | Low | 80.5 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 73% | 0.734 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -99.1 | -34.3 | 179.1 | -62.2 | 0 | 0 | 0 | 0 | 114.1 | N197 P198 | N197-S200 WeakPolarHBondContact O-CB 3.02Å; N197-S200 PolarHBondContact O-N 2.89Å; P198-S200 PolarHBondContact O-N 2.83Å; P198-S200 VanDerWaalsContact O-N 3.15Å |
| 201 | S | 68.3 | Low | 79.8 | Confident | 57 Ų | 57 | 73.1 Ų | 73.1 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -91.1 | -13.4 | 177.7 | 55.2 | 0 | 0 | 0 | 0 | 114 | D195 P198 Q203 | D195-S201 WeakPolarHBondContact OD2-CB 3.45Å; D195-S201 PolarHBondContact OD2-OG 2.88Å; P198-S201 WeakPolarHBondContact CA-OG 3.4Å; P198-S201 PolarHBondContact O-N 2.94Å; S201-Q203 PolarHBondContact O-N 2.9Å |
| 202 | C | 81.3 | Confident | 79.5 | Confident | 19 Ų | 19 | 77.1 Ų | 77.1 | 13% | 0.128 | 42% | 0.424 | C | S | . | . | trans | -50 | 123.1 | -178.4 | 168.6 | 0 | 0 | 0 | 0 | 113.9 | K189 L190 F191 P198 | K189-C202 WeakPolarHBondContact CB-SG 3.26Å; K189-C202 VanDerWaalsContact CD-SG 3.53Å; K189-C202 WeakPolarHBondContact CG-SG 3.3Å; L190-C202 CarbonylContact O-C 3.59Å; L190-C202 WeakPolarHBondContact O-CA 3.39Å; L190-C202 PolarHBondContact O-SG 2.92Å; F191-C202 HydrophobicContact CD1-CB 3.71Å; F191-C202 HydrophobicContact CE1-CB 3.76Å; P198-C202 WeakPolarHBondContact O-CA 3.46Å; P198-C202 WeakPolarHBondContact O-CB 3.23Å; P198-C202 PolarHBondContact O-N 2.9Å | ||
| 203 | Q | 85.4 | Confident | 79.6 | Confident | 92 Ų | 92 | 76.2 Ų | 76.2 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.3 | 172 | -54 | -172.5 | 25.7 | 0 | 0 | 110.5 | K189 L190 S201 F205 T242 | K189-Q203 WeakPolarHBondContact CA-O 3.3Å; L190-Q203 HydrophobicContact CB-CB 4.3Å; L190-Q203 PolarHBondContact N-O 2.86Å; L190-Q203 PolarHBondContact O-N 2.97Å; L190-Q203 VanDerWaalsContact O-N 3.09Å; S201-Q203 PolarHBondContact O-N 2.9Å; Q203-F205 HydrophobicContact CB-CE2 3.72Å; Q203-F205 HydrophobicContact CB-CZ 3.95Å; Q203-T242 PolarHBondContact OE1-O 3.39Å |
| 204 | I | 88.3 | Confident | 79.9 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 35% | 0.354 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114.6 | -173.3 | -47.9 | -174.5 | 0 | 0 | 0 | 110.2 | K187 K189 F206 | K187-I204 HydrophobicContact CB-CG2 4.18Å; K187-I204 HydrophobicContact CD-CG2 3.87Å; K187-I204 HydrophobicContact CG-CG2 4.37Å; K189-I204 HydrophobicContact CG-CG1 4.33Å; I204-F206 HydrophobicContact CG2-CD1 4.2Å |
| 205 | F | 88.7 | Confident | 80.3 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.2 | 179.2 | -47.3 | -105.6 | 0 | 0 | 0 | 108.8 | L188 L190 Q203 W240 | L188-F205 HydrophobicContact CB-CB 4.13Å; L188-F205 HydrophobicContact CB-CD2 4.45Å; L188-F205 HydrophobicContact CD1-CB 4.36Å; L188-F205 PolarHBondContact N-O 2.88Å; L188-F205 PolarHBondContact O-N 2.85Å; L190-F205 HydrophobicContact CB-CE2 3.71Å; L190-F205 HydrophobicContact CD2-CE2 4.32Å; L190-F205 HydrophobicContact CD2-CZ 4.33Å; Q203-F205 HydrophobicContact CB-CE2 3.72Å; Q203-F205 HydrophobicContact CB-CZ 3.95Å; F205-W240 HydrophobicContact CB-CD2 3.89Å; F205-W240 HydrophobicContact CB-CE3 3.75Å; F205-W240 HydrophobicContact CB-CG 4.45Å; F205-W240 HydrophobicContact CB-CH2 4.36Å; F205-W240 HydrophobicContact CB-CZ3 3.97Å; F205-W240 HydrophobicContact CD1-CB 4.3Å; F205-W240 HydrophobicContact CD1-CD2 4.27Å; F205-W240 AromaticContact CD1-CE3 3.77Å; F205-W240 HydrophobicContact CD1-CE3 3.77Å; F205-W240 HydrophobicContact CD1-CZ3 4.45Å; F205-W240 HydrophobicContact CG-CD2 4.5Å; F205-W240 HydrophobicContact CG-CE3 4.25Å |
| 206 | F | 85.1 | Confident | 80.9 | Confident | 88 Ų | 88 | 68.9 Ų | 68.9 | 39% | 0.386 | 39% | 0.388 | S | S | . | . | trans | -157.1 | 137.1 | 178.2 | 65.9 | -77.4 | 0 | 0 | 0 | 111 | K187 I204 R208 W240 | K187-F206 HydrophobicContact CB-CB 4.41Å; K187-F206 HydrophobicContact CG-CB 4.03Å; I204-F206 HydrophobicContact CG2-CD1 4.2Å; F206-R208 HydrophobicContact CD2-CG 4.34Å; F206-R208 HydrophobicContact CE2-CG 3.87Å; F206-R208 HydrophobicContact CZ-CG 4.44Å; F206-R208 PolarHBondContact O-N 2.87Å; F206-W240 VanDerWaalsContact C-CH2 3.42Å; F206-W240 WeakPolarHBondContact O-CH2 3.36Å | ||
| 207 | Q | 80.5 | Confident | 82 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 27% | 0.271 | 35% | 0.352 | S | S | . | . | trans | -73.5 | 128 | 176.4 | -161.2 | 174.6 | -12.9 | 0 | 0 | 109 | T209 W240 | Q207-T209 HydrophobicContact CB-CG2 4.34Å; Q207-T209 HydrophobicContact CG-CG2 3.99Å; Q207-T209 PolarHBondContact O-N 3.09Å; Q207-W240 HydrophobicContact CB-CZ2 4.44Å | ||
| 208 | R | 76.8 | Confident | 82.9 | Confident | 220 Ų | 220 | 57.9 Ų | 57.9 | 83% | 0.83 | 32% | 0.323 | S | S | * | . | trans | -77.9 | 59.7 | -176.6 | -64.9 | -178.1 | 70.1 | 152.5 | -0.3 | 112.1 | F206 | F206-R208 HydrophobicContact CD2-CG 4.34Å; F206-R208 HydrophobicContact CE2-CG 3.87Å; F206-R208 HydrophobicContact CZ-CG 4.44Å; F206-R208 PolarHBondContact O-N 2.87Å | ||
| 209 | T | 76.7 | Confident | 83.9 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | trans | -85.2 | 157.4 | 177.3 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | Q207 S211 | Q207-T209 HydrophobicContact CB-CG2 4.34Å; Q207-T209 HydrophobicContact CG-CG2 3.99Å; Q207-T209 PolarHBondContact O-N 3.09Å; T209-S211 WeakPolarHBondContact CB-O 3.23Å; T209-S211 PolarHBondContact O-N 2.92Å; T209-S211 PolarHBondContact OG1-O 3.31Å | ||
| 210 | A | 67.1 | Low | 84.9 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 74% | 0.736 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -68.6 | -16.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 211 | S | 78.9 | Confident | 86 | Confident | 88 Ų | 88 | 50.4 Ų | 50.4 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -136.5 | 128.5 | 163.2 | -179.5 | 0 | 0 | 0 | 0 | 106.8 | T209 S213 | T209-S211 WeakPolarHBondContact CB-O 3.23Å; T209-S211 PolarHBondContact O-N 2.92Å; T209-S211 PolarHBondContact OG1-O 3.31Å; S211-S213 PolarHBondContact O-N 3.47Å |
| 212 | P | 84.8 | Confident | 86.9 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 133.7 | 173.1 | 27.2 | -33.3 | 0 | 0 | 0 | 109.1 | ||
| 213 | S | 91.2 | Very high | 86.9 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 129.2 | 169.2 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | G186 S211 E233 N234 | G186-S213 WeakPolarHBondContact CA-O 3.39Å; S211-S213 PolarHBondContact O-N 3.47Å; S213-E233 PolarHBondContact OG-N 2.71Å; S213-N234 VanDerWaalsContact CB-ND2 3.27Å; S213-N234 WeakPolarHBondContact CB-ND2 3.21Å; S213-N234 PolarHBondContact OG-N 3.13Å; S213-N234 VanDerWaalsContact OG-N 3.1Å |
| 214 | P | 93.6 | Very high | 86.9 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 140.7 | 169.7 | -27.8 | 37.5 | 0 | 0 | 0 | 111.4 | Q232 E233 | P214-Q232 WeakPolarHBondContact O-CA 3.39Å; P214-E233 HydrophobicContact CB-CB 4.46Å; P214-E233 VanDerWaalsContact CB-CD 3.48Å; P214-E233 HydrophobicContact CB-CG 3.89Å; P214-E233 WeakPolarHBondContact CB-OE1 3.42Å; P214-E233 HydrophobicContact CG-CG 4.31Å; P214-E233 WeakPolarHBondContact CG-OE2 3.48Å; P214-E233 PolarHBondContact O-N 3.36Å |
| 215 | V | 95.1 | Very high | 86.8 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.4 | 172.5 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | H167 A182 S183 L188 A230 A231 | H167-V215 PolarHBondContact CD2-O 2.97Å; H167-V215 VanDerWaalsContact CD2-O 3.22Å; A182-V215 HydrophobicContact CB-CB 3.96Å; A182-V215 HydrophobicContact CB-CG1 3.64Å; S183-V215 PolarHBondContact O-N 2.87Å; L188-V215 HydrophobicContact CD2-CB 4.4Å; L188-V215 HydrophobicContact CD2-CG1 3.91Å; L188-V215 HydrophobicContact CD2-CG2 4.28Å; V215-A230 HydrophobicContact CG1-CB 3.88Å; V215-A231 CarbonylContact C-O 3.28Å; V215-A231 WeakPolarHBondContact CA-O 3.35Å; V215-A231 WeakPolarHBondContact CG1-O 3.27Å |
| 216 | R | 94.4 | Very high | 86.8 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 33% | 0.328 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -32.9 | -173.9 | -74.9 | -68.1 | 178.9 | 168.3 | -1 | 114.5 | H167 A231 E233 | H167-R216 PolarHBondContact CE1-NH1 3.08Å; H167-R216 PolarHBondContact ND1-NH1 2.97Å; R216-A231 PolarHBondContact N-O 3.2Å; R216-E233 HydrophobicContact CG-CG 3.84Å; R216-E233 IonicContact CZ-OE1 3.32Å; R216-E233 IonicContact NE-OE1 3.19Å; R216-E233 PolarHBondContact NE-OE1 3.12Å; R216-E233 IonicContact NH2-OE1 2.66Å; R216-E233 PolarHBondContact NH2-OE1 2.83Å |
| 217 | D | 95.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 151.2 | -179.2 | -160.2 | -3.5 | 0 | 0 | 0 | 109.6 | C168 A230 A231 T261 L262 | C168-D217 PolarHBondContact SG-OD1 3.45Å; C168-D217 VanDerWaalsContact SG-OD1 3.4Å; D217-A230 WeakPolarHBondContact O-CA 3.34Å; D217-A231 HydrophobicContact CB-CB 4.05Å; D217-A231 PolarHBondContact O-N 2.86Å; D217-T261 WeakPolarHBondContact OD2-CA 3.45Å; D217-T261 VanDerWaalsContact OD2-CB 3.31Å; D217-T261 WeakPolarHBondContact OD2-CB 3.33Å; D217-T261 PolarHBondContact OD2-OG1 3.2Å; D217-L262 HydrophobicContact CB-CG 4.46Å; D217-L262 PolarHBondContact OD2-N 3.39Å |
| 218 | V | 95.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 136.5 | -178.2 | 66.6 | 0 | 0 | 0 | 0 | 110.7 | C168 H170 V180 A182 L188 V228 A229 A230 | C168-V218 HydrophobicContact CB-CG1 4.13Å; H170-V218 PolarHBondContact CD2-O 2.97Å; V180-V218 HydrophobicContact CG1-CG1 4.02Å; V180-V218 HydrophobicContact CG1-CG2 3.7Å; A182-V218 HydrophobicContact CB-CB 3.91Å; A182-V218 HydrophobicContact CB-CG1 3.62Å; L188-V218 HydrophobicContact CD2-CB 4.28Å; L188-V218 HydrophobicContact CD2-CG2 3.91Å; V218-V228 HydrophobicContact CG2-CG1 3.35Å; V218-A229 WeakPolarHBondContact CA-O 3.11Å; V218-A229 WeakPolarHBondContact CG2-O 3.44Å; V218-A230 HydrophobicContact CG2-CB 4.33Å |
| 219 | S | 95.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 143.2 | 177.7 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | H170 V228 A229 W264 | H170-S219 PolarHBondContact NE2-OG 2.97Å; S219-V228 WeakPolarHBondContact O-CA 3.35Å; S219-A229 PolarHBondContact N-O 3.31Å; S219-A229 PolarHBondContact O-N 3.44Å; S219-W264 PolarHBondContact O-NE1 2.97Å |
| 220 | F | 93.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 141.6 | 170.8 | -82.3 | -86.3 | 0 | 0 | 0 | 111 | H170 F171 N172 P173 V180 L190 G225 L227 V228 T242 W264 | H170-F220 HydrophobicContact CB-CD2 4.31Å; H170-F220 AromaticContact ND1-CD2 3.89Å; H170-F220 WeakPolarHBondContact O-CE2 3.4Å; F171-F220 WeakPolarHBondContact O-CD2 3.28Å; N172-F220 HydrophobicContact CB-CD1 3.9Å; N172-F220 HydrophobicContact CB-CD2 4.02Å; N172-F220 HydrophobicContact CB-CE1 3.69Å; N172-F220 HydrophobicContact CB-CE2 3.8Å; N172-F220 HydrophobicContact CB-CG 4.06Å; N172-F220 HydrophobicContact CB-CZ 3.63Å; P173-F220 HydrophobicContact CG-CB 4.43Å; V180-F220 HydrophobicContact CB-CE2 3.58Å; V180-F220 HydrophobicContact CB-CZ 3.87Å; V180-F220 HydrophobicContact CG1-CD2 3.98Å; V180-F220 HydrophobicContact CG1-CE2 3.49Å; V180-F220 VanDerWaalsContact CG1-CE2 3.49Å; V180-F220 HydrophobicContact CG1-CZ 4.17Å; L190-F220 HydrophobicContact CD1-CZ 3.81Å; F220-G225 WeakPolarHBondContact CD1-O 3.27Å; F220-G225 VanDerWaalsContact CE1-O 3.27Å; F220-G225 WeakPolarHBondContact CE1-O 3.38Å; F220-L227 WeakPolarHBondContact CA-O 3.46Å; F220-V228 HydrophobicContact CD1-CG2 3.52Å; F220-V228 HydrophobicContact CE1-CG2 3.42Å; F220-V228 VanDerWaalsContact CE1-CG2 3.42Å; F220-V228 HydrophobicContact CE2-CG2 4.47Å; F220-V228 HydrophobicContact CG-CG2 4.1Å; F220-V228 HydrophobicContact CZ-CG2 3.94Å; F220-T242 HydrophobicContact CE1-CG2 4.21Å; F220-W264 VanDerWaalsContact C-CD1 3.45Å; F220-W264 VanDerWaalsContact C-NE1 3.29Å; F220-W264 PolarHBondContact O-NE1 3.15Å |
| 221 | C | 90.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -65.6 | 128.6 | 171.2 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | K223 Q224 L227 W264 W268 | C221-K223 VanDerWaalsContact C-N 3.31Å; C221-K223 PolarHBondContact O-N 3.14Å; C221-Q224 HydrophobicContact CB-CB 4.36Å; C221-Q224 WeakPolarHBondContact CB-O 3.43Å; C221-Q224 CarbonylContact O-C 3.55Å; C221-Q224 PolarHBondContact O-N 3.4Å; C221-L227 HydrophobicContact CB-CB 3.83Å; C221-L227 PolarHBondContact N-O 2.96Å; C221-W264 HydrophobicContact CB-CD2 4.16Å; C221-W264 HydrophobicContact CB-CH2 4.38Å; C221-W264 HydrophobicContact CB-CZ2 3.97Å; C221-W268 VanDerWaalsContact SG-CE2 3.54Å; C221-W268 PolarHBondContact SG-NE1 3.2Å | ||
| 222 | P | 86.3 | Confident | 91.6 | Very high | 44 Ų | 44 | 24.4 Ų | 24.4 | 29% | 0.286 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -68.7 | -23.5 | -170.1 | 24.7 | -34.1 | 0 | 0 | 0 | 114.6 | T174 W264 W268 | T174-P222 WeakPolarHBondContact CG2-O 3.49Å; P222-W264 HydrophobicContact CG-CB 4.46Å; P222-W268 HydrophobicContact CG-CB 4.16Å |
| 223 | K | 82.1 | Confident | 92 | Very high | 134 Ų | 134 | 23.2 Ų | 23.2 | 58% | 0.583 | 11% | 0.112 | S | C | * | . | S | Bend | trans | -101.7 | -28.6 | 174.1 | -53.6 | -58.2 | -173.7 | 174.6 | 0 | 113.7 | C221 W268 | C221-K223 VanDerWaalsContact C-N 3.31Å; C221-K223 PolarHBondContact O-N 3.14Å; K223-W268 HydrophobicContact CG-CB 4.34Å; K223-W268 WeakPolarHBondContact CG-O 3.21Å |
| 224 | Q | 85 | Confident | 92 | Very high | 33 Ų | 33 | 25 Ų | 25 | 15% | 0.154 | 12% | 0.12 | C | C | . | . | trans | -115.7 | 82.7 | -177.7 | -66.4 | -166.7 | -17.2 | 0 | 0 | 110.1 | C221 F226 L227 M270 | C221-Q224 HydrophobicContact CB-CB 4.36Å; C221-Q224 WeakPolarHBondContact CB-O 3.43Å; C221-Q224 CarbonylContact O-C 3.55Å; C221-Q224 PolarHBondContact O-N 3.4Å; Q224-F226 HydrophobicContact CB-CD1 4.43Å; Q224-F226 HydrophobicContact CB-CE1 3.94Å; Q224-F226 HydrophobicContact CB-CZ 4.02Å; Q224-F226 HydrophobicContact CG-CE1 4.21Å; Q224-F226 HydrophobicContact CG-CZ 4.21Å; Q224-F226 PolarHBondContact O-N 3.33Å; Q224-L227 HydrophobicContact CB-CD1 4.27Å; Q224-L227 HydrophobicContact CB-CG 4.3Å; Q224-L227 PolarHBondContact O-N 2.96Å; Q224-L227 VanDerWaalsContact OE1-CD1 3.31Å; Q224-M270 PolarHBondContact NE2-SD 2.97Å | ||
| 225 | G | 86.1 | Confident | 91.8 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -14.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | N172 T174 F220 L227 | N172-G225 PolarHBondContact ND2-O 3.18Å; N172-G225 WeakPolarHBondContact OD1-CA 3.48Å; T174-G225 VanDerWaalsContact OG1-CA 3.23Å; T174-G225 WeakPolarHBondContact OG1-CA 3.44Å; F220-G225 WeakPolarHBondContact CD1-O 3.27Å; F220-G225 VanDerWaalsContact CE1-O 3.27Å; F220-G225 WeakPolarHBondContact CE1-O 3.38Å; G225-L227 VanDerWaalsContact C-N 3.33Å |
| 226 | F | 89.4 | Confident | 91.7 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 24% | 0.237 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -10.4 | 171.8 | 63 | -95.7 | 0 | 0 | 0 | 113.6 | Q224 D241 T242 R243 | Q224-F226 HydrophobicContact CB-CD1 4.43Å; Q224-F226 HydrophobicContact CB-CE1 3.94Å; Q224-F226 HydrophobicContact CB-CZ 4.02Å; Q224-F226 HydrophobicContact CG-CE1 4.21Å; Q224-F226 HydrophobicContact CG-CZ 4.21Å; Q224-F226 PolarHBondContact O-N 3.33Å; F226-D241 CarbonylContact O-C 3.59Å; F226-D241 VanDerWaalsContact O-CA 3.27Å; F226-D241 WeakPolarHBondContact O-CA 3.35Å; F226-T242 WeakPolarHBondContact CA-OG1 3.46Å; F226-T242 PolarHBondContact O-N 3.18Å; F226-R243 HydrophobicContact CB-CG 4.21Å; F226-R243 VanDerWaalsContact CD2-CZ 3.47Å |
| 227 | L | 91.7 | Very high | 91.7 | Very high | 12 Ų | 12 | 20.3 Ų | 20.3 | 6% | 0.063 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.8 | 178.1 | -67.4 | -175.8 | 0 | 0 | 0 | 112.2 | F220 C221 Q224 G225 I239 W240 D241 F249 W264 | F220-L227 WeakPolarHBondContact CA-O 3.46Å; C221-L227 HydrophobicContact CB-CB 3.83Å; C221-L227 PolarHBondContact N-O 2.96Å; Q224-L227 HydrophobicContact CB-CD1 4.27Å; Q224-L227 HydrophobicContact CB-CG 4.3Å; Q224-L227 PolarHBondContact O-N 2.96Å; Q224-L227 VanDerWaalsContact OE1-CD1 3.31Å; G225-L227 VanDerWaalsContact C-N 3.33Å; L227-I239 HydrophobicContact CD2-CG2 4.31Å; L227-W240 WeakPolarHBondContact CA-O 3.29Å; L227-D241 HydrophobicContact CD2-CB 4.45Å; L227-F249 HydrophobicContact CD2-CD1 4.46Å; L227-W264 HydrophobicContact CB-CZ2 4.45Å |
| 228 | V | 94.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.4 | 177 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | V180 L188 V218 S219 F220 I239 W240 T242 | V180-V228 HydrophobicContact CG1-CG1 4.22Å; V180-V228 HydrophobicContact CG2-CG1 4.49Å; L188-V228 HydrophobicContact CD1-CG1 4.34Å; V218-V228 HydrophobicContact CG2-CG1 3.35Å; S219-V228 WeakPolarHBondContact O-CA 3.35Å; F220-V228 HydrophobicContact CD1-CG2 3.52Å; F220-V228 HydrophobicContact CE1-CG2 3.42Å; F220-V228 VanDerWaalsContact CE1-CG2 3.42Å; F220-V228 HydrophobicContact CE2-CG2 4.47Å; F220-V228 HydrophobicContact CG-CG2 4.1Å; F220-V228 HydrophobicContact CZ-CG2 3.94Å; V228-I239 CarbonylContact O-C 3.57Å; V228-I239 WeakPolarHBondContact O-CA 3.3Å; V228-W240 PolarHBondContact N-O 2.76Å; V228-W240 PolarHBondContact O-N 3.46Å; V228-T242 HydrophobicContact CG2-CG2 3.96Å |
| 229 | A | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 140.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V218 S219 I239 L262 W264 L276 | V218-A229 WeakPolarHBondContact CA-O 3.11Å; V218-A229 WeakPolarHBondContact CG2-O 3.44Å; S219-A229 PolarHBondContact N-O 3.31Å; S219-A229 PolarHBondContact O-N 3.44Å; A229-I239 HydrophobicContact CB-CG1 4.32Å; A229-L262 HydrophobicContact CB-CD1 4.23Å; A229-L262 HydrophobicContact CB-CD2 3.85Å; A229-W264 HydrophobicContact CB-CH2 4.05Å; A229-W264 HydrophobicContact CB-CZ2 3.38Å; A229-L276 HydrophobicContact CB-CD1 4.12Å; A229-L276 HydrophobicContact CB-CD2 4.3Å |
| 230 | A | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L188 V215 D217 V218 S238 | L188-A230 HydrophobicContact CD1-CB 3.8Å; L188-A230 HydrophobicContact CD2-CB 4Å; L188-A230 HydrophobicContact CG-CB 4.36Å; V215-A230 HydrophobicContact CG1-CB 3.88Å; D217-A230 WeakPolarHBondContact O-CA 3.34Å; V218-A230 HydrophobicContact CG2-CB 4.33Å; A230-S238 PolarHBondContact N-O 2.98Å; A230-S238 PolarHBondContact O-N 2.68Å; A230-S238 PolarHBondContact O-OG 3.09Å |
| 231 | A | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V215 R216 D217 I259 L262 | V215-A231 CarbonylContact C-O 3.28Å; V215-A231 WeakPolarHBondContact CA-O 3.35Å; V215-A231 WeakPolarHBondContact CG1-O 3.27Å; R216-A231 PolarHBondContact N-O 3.2Å; D217-A231 HydrophobicContact CB-CB 4.05Å; D217-A231 PolarHBondContact O-N 2.86Å; A231-I259 HydrophobicContact CB-CB 3.89Å; A231-I259 HydrophobicContact CB-CG2 3.47Å; A231-I259 VanDerWaalsContact CB-CG2 3.47Å; A231-L262 HydrophobicContact CB-CD2 3.87Å; A231-L262 HydrophobicContact CB-CG 4.12Å |
| 232 | Q | 94 | Very high | 91.1 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 147.5 | -178.2 | -60.5 | 179.4 | 33.2 | 0 | 0 | 113.5 | P214 N234 G235 V236 S238 | P214-Q232 WeakPolarHBondContact O-CA 3.39Å; Q232-N234 WeakPolarHBondContact CB-OD1 3.43Å; Q232-N234 PolarHBondContact O-N 3.05Å; Q232-N234 VanDerWaalsContact O-N 3.17Å; Q232-N234 PolarHBondContact OE1-ND2 2.77Å; Q232-N234 PolarHBondContact OE1-OD1 3.42Å; Q232-G235 PolarHBondContact O-N 3.49Å; Q232-V236 HydrophobicContact CB-CB 4.39Å; Q232-V236 WeakPolarHBondContact CB-O 3.49Å; Q232-V236 PolarHBondContact N-O 3.41Å; Q232-S238 PolarHBondContact NE2-OG 3.03Å; Q232-S238 VanDerWaalsContact NE2-OG 3.15Å |
| 233 | E | 93 | Very high | 91.2 | Very high | 60 Ų | 60 | 26.5 Ų | 26.5 | 28% | 0.28 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.6 | 175.3 | -80.4 | -174.3 | -170 | 0 | 0 | 115 | S213 P214 R216 G235 S258 | S213-E233 PolarHBondContact OG-N 2.71Å; P214-E233 HydrophobicContact CB-CB 4.46Å; P214-E233 VanDerWaalsContact CB-CD 3.48Å; P214-E233 HydrophobicContact CB-CG 3.89Å; P214-E233 WeakPolarHBondContact CB-OE1 3.42Å; P214-E233 HydrophobicContact CG-CG 4.31Å; P214-E233 WeakPolarHBondContact CG-OE2 3.48Å; P214-E233 PolarHBondContact O-N 3.36Å; R216-E233 HydrophobicContact CG-CG 3.84Å; R216-E233 IonicContact CZ-OE1 3.32Å; R216-E233 IonicContact NE-OE1 3.19Å; R216-E233 PolarHBondContact NE-OE1 3.12Å; R216-E233 IonicContact NH2-OE1 2.66Å; R216-E233 PolarHBondContact NH2-OE1 2.83Å; E233-G235 PolarHBondContact O-N 2.76Å; E233-S258 WeakPolarHBondContact CA-OG 3.37Å; E233-S258 WeakPolarHBondContact O-CA 3.35Å; E233-S258 WeakPolarHBondContact O-CB 3.49Å; E233-S258 PolarHBondContact O-N 2.79Å |
| 234 | N | 90.3 | Very high | 91.2 | Very high | 50 Ų | 50 | 27 Ų | 27 | 27% | 0.267 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.5 | 175.8 | 64.3 | 10.6 | 0 | 0 | 0 | 113.9 | S213 Q232 V236 Q253 | S213-N234 VanDerWaalsContact CB-ND2 3.27Å; S213-N234 WeakPolarHBondContact CB-ND2 3.21Å; S213-N234 PolarHBondContact OG-N 3.13Å; S213-N234 VanDerWaalsContact OG-N 3.1Å; Q232-N234 WeakPolarHBondContact CB-OD1 3.43Å; Q232-N234 PolarHBondContact O-N 3.05Å; Q232-N234 VanDerWaalsContact O-N 3.17Å; Q232-N234 PolarHBondContact OE1-ND2 2.77Å; Q232-N234 PolarHBondContact OE1-OD1 3.42Å; N234-V236 WeakPolarHBondContact OD1-CB 3.5Å; N234-V236 VanDerWaalsContact OD1-CG2 3.31Å; N234-V236 WeakPolarHBondContact OD1-CG2 3.47Å; N234-V236 PolarHBondContact OD1-N 2.88Å; N234-Q253 PolarHBondContact O-NE2 2.99Å |
| 235 | G | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 82.2 | 8.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q232 E233 Q253 G254 H255 C257 | Q232-G235 PolarHBondContact O-N 3.49Å; E233-G235 PolarHBondContact O-N 2.76Å; G235-Q253 VanDerWaalsContact C-NE2 3.32Å; G235-Q253 PolarHBondContact O-NE2 3.41Å; G235-G254 PolarHBondContact O-N 2.85Å; G235-H255 PolarHBondContact O-N 3.19Å; G235-C257 WeakPolarHBondContact CA-O 3.23Å |
| 236 | V | 92.5 | Very high | 90.6 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.3 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | Q232 N234 A251 F252 | Q232-V236 HydrophobicContact CB-CB 4.39Å; Q232-V236 WeakPolarHBondContact CB-O 3.49Å; Q232-V236 PolarHBondContact N-O 3.41Å; N234-V236 WeakPolarHBondContact OD1-CB 3.5Å; N234-V236 VanDerWaalsContact OD1-CG2 3.31Å; N234-V236 WeakPolarHBondContact OD1-CG2 3.47Å; N234-V236 PolarHBondContact OD1-N 2.88Å; V236-A251 HydrophobicContact CG1-CB 4.31Å; V236-F252 CarbonylContact C-O 3.59Å; V236-F252 WeakPolarHBondContact CA-O 3.28Å |
| 237 | V | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.6 | 162.5 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | A251 F252 I259 L276 T278 | V237-A251 VanDerWaalsContact O-CA 3.29Å; V237-A251 WeakPolarHBondContact O-CA 3.4Å; V237-F252 HydrophobicContact CB-CD1 4.25Å; V237-F252 HydrophobicContact CB-CD2 4.26Å; V237-F252 HydrophobicContact CB-CE1 3.77Å; V237-F252 HydrophobicContact CB-CE2 3.78Å; V237-F252 HydrophobicContact CB-CG 4.48Å; V237-F252 HydrophobicContact CB-CZ 3.52Å; V237-F252 HydrophobicContact CG1-CE1 3.76Å; V237-F252 HydrophobicContact CG1-CE2 4.32Å; V237-F252 HydrophobicContact CG1-CZ 3.59Å; V237-F252 HydrophobicContact CG2-CD2 4.42Å; V237-F252 HydrophobicContact CG2-CE2 3.78Å; V237-F252 HydrophobicContact CG2-CZ 3.9Å; V237-F252 PolarHBondContact N-O 2.8Å; V237-F252 PolarHBondContact O-N 3.14Å; V237-I259 HydrophobicContact CG2-CD1 3.62Å; V237-L276 HydrophobicContact CG1-CD2 3.86Å; V237-T278 HydrophobicContact CG2-CG2 3.88Å |
| 238 | S | 92.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.2 | 173.8 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | A230 Q232 W240 | A230-S238 PolarHBondContact N-O 2.98Å; A230-S238 PolarHBondContact O-N 2.68Å; A230-S238 PolarHBondContact O-OG 3.09Å; Q232-S238 PolarHBondContact NE2-OG 3.03Å; Q232-S238 VanDerWaalsContact NE2-OG 3.15Å; S238-W240 PolarHBondContact OG-NE1 2.62Å |
| 239 | I | 92.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.8 | 174.1 | -57.4 | 172 | 0 | 0 | 0 | 107.9 | L227 V228 A229 P248 F249 R250 F252 W264 L291 | L227-I239 HydrophobicContact CD2-CG2 4.31Å; V228-I239 CarbonylContact O-C 3.57Å; V228-I239 WeakPolarHBondContact O-CA 3.3Å; A229-I239 HydrophobicContact CB-CG1 4.32Å; I239-P248 CarbonylContact O-C 3.57Å; I239-P248 WeakPolarHBondContact O-CA 3.44Å; I239-P248 WeakPolarHBondContact O-CB 3.41Å; I239-F249 HydrophobicContact CG2-CD1 4.34Å; I239-F249 PolarHBondContact O-N 3.44Å; I239-R250 HydrophobicContact CB-CB 4.4Å; I239-R250 HydrophobicContact CD1-CB 4.48Å; I239-R250 PolarHBondContact N-O 3.19Å; I239-R250 PolarHBondContact O-N 3.48Å; I239-F252 HydrophobicContact CD1-CE1 4.29Å; I239-W264 HydrophobicContact CD1-CH2 4.25Å; I239-W264 HydrophobicContact CG1-CH2 4.39Å; I239-W264 HydrophobicContact CG2-CH2 4.14Å; I239-L291 HydrophobicContact CD1-CD1 3.59Å; I239-L291 HydrophobicContact CD1-CD2 3.59Å; I239-L291 HydrophobicContact CD1-CG 4.24Å |
| 240 | W | 91.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 147.9 | -177 | -62.6 | 86.4 | 0 | 0 | 0 | 110.3 | L188 F205 F206 Q207 L227 V228 S238 P248 | L188-W240 HydrophobicContact CD1-CG 4.27Å; F205-W240 HydrophobicContact CB-CD2 3.89Å; F205-W240 HydrophobicContact CB-CE3 3.75Å; F205-W240 HydrophobicContact CB-CG 4.45Å; F205-W240 HydrophobicContact CB-CH2 4.36Å; F205-W240 HydrophobicContact CB-CZ3 3.97Å; F205-W240 HydrophobicContact CD1-CB 4.3Å; F205-W240 HydrophobicContact CD1-CD2 4.27Å; F205-W240 AromaticContact CD1-CE3 3.77Å; F205-W240 HydrophobicContact CD1-CE3 3.77Å; F205-W240 HydrophobicContact CD1-CZ3 4.45Å; F205-W240 HydrophobicContact CG-CD2 4.5Å; F205-W240 HydrophobicContact CG-CE3 4.25Å; F206-W240 VanDerWaalsContact C-CH2 3.42Å; F206-W240 WeakPolarHBondContact O-CH2 3.36Å; Q207-W240 HydrophobicContact CB-CZ2 4.44Å; L227-W240 WeakPolarHBondContact CA-O 3.29Å; V228-W240 PolarHBondContact N-O 2.76Å; V228-W240 PolarHBondContact O-N 3.46Å; S238-W240 PolarHBondContact OG-NE1 2.62Å; W240-P248 HydrophobicContact CD2-CB 3.97Å; W240-P248 HydrophobicContact CE3-CB 4.16Å; W240-P248 HydrophobicContact CH2-CB 4.22Å; W240-P248 HydrophobicContact CH2-CG 4.3Å; W240-P248 HydrophobicContact CZ2-CB 4Å; W240-P248 HydrophobicContact CZ2-CG 4.3Å; W240-P248 HydrophobicContact CZ3-CB 4.31Å; W240-P248 VanDerWaalsContact CZ3-N 3.26Å |
| 241 | D | 91.2 | Very high | 88.9 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.6 | 166.7 | 180 | -15.5 | 0 | 0 | 0 | 106.9 | F226 L227 R243 K244 F249 | F226-D241 CarbonylContact O-C 3.59Å; F226-D241 VanDerWaalsContact O-CA 3.27Å; F226-D241 WeakPolarHBondContact O-CA 3.35Å; L227-D241 HydrophobicContact CD2-CB 4.45Å; D241-R243 PolarHBondContact O-N 2.97Å; D241-R243 VanDerWaalsContact O-N 3.14Å; D241-R243 VanDerWaalsContact OD1-CB 3.27Å; D241-R243 WeakPolarHBondContact OD1-CB 3.35Å; D241-R243 WeakPolarHBondContact OD1-CG 3.27Å; D241-R243 IonicContact OD1-CZ 3.62Å; D241-R243 PolarHBondContact OD1-N 3.41Å; D241-R243 IonicContact OD1-NE 2.85Å; D241-R243 PolarHBondContact OD1-NE 3.02Å; D241-R243 IonicContact OD1-NH2 2.73Å; D241-R243 IonicContact OD2-CZ 3.5Å; D241-R243 IonicContact OD2-NE 3.39Å; D241-R243 PolarHBondContact OD2-NE 3.38Å; D241-R243 IonicContact OD2-NH2 3.17Å; D241-R243 PolarHBondContact OD2-NH2 3.09Å; D241-K244 HydrophobicContact CB-CB 4.27Å; D241-K244 CarbonylContact O-C 3.49Å; D241-K244 PolarHBondContact O-N 2.82Å; D241-F249 HydrophobicContact CB-CB 4.5Å |
| 242 | T | 89.7 | Confident | 88.6 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -58.4 | -27.4 | -178.2 | 59 | 0 | 0 | 0 | 0 | 111.7 | L190 Q203 F220 F226 V228 K244 | L190-T242 HydrophobicContact CD2-CG2 3.89Å; Q203-T242 PolarHBondContact OE1-O 3.39Å; F220-T242 HydrophobicContact CE1-CG2 4.21Å; F226-T242 WeakPolarHBondContact CA-OG1 3.46Å; F226-T242 PolarHBondContact O-N 3.18Å; V228-T242 HydrophobicContact CG2-CG2 3.96Å; T242-K244 VanDerWaalsContact C-N 3.26Å; T242-K244 PolarHBondContact O-N 3.3Å |
| 243 | R | 88 | Confident | 88.4 | Confident | 155 Ų | 155 | 53.3 Ų | 53.3 | 59% | 0.585 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -76.8 | -9.9 | 178 | -50.1 | 165.5 | -61.1 | -177.7 | 7.3 | 112.9 | F226 D241 | F226-R243 HydrophobicContact CB-CG 4.21Å; F226-R243 VanDerWaalsContact CD2-CZ 3.47Å; D241-R243 PolarHBondContact O-N 2.97Å; D241-R243 VanDerWaalsContact O-N 3.14Å; D241-R243 VanDerWaalsContact OD1-CB 3.27Å; D241-R243 WeakPolarHBondContact OD1-CB 3.35Å; D241-R243 WeakPolarHBondContact OD1-CG 3.27Å; D241-R243 IonicContact OD1-CZ 3.62Å; D241-R243 PolarHBondContact OD1-N 3.41Å; D241-R243 IonicContact OD1-NE 2.85Å; D241-R243 PolarHBondContact OD1-NE 3.02Å; D241-R243 IonicContact OD1-NH2 2.73Å; D241-R243 IonicContact OD2-CZ 3.5Å; D241-R243 IonicContact OD2-NE 3.39Å; D241-R243 PolarHBondContact OD2-NE 3.38Å; D241-R243 IonicContact OD2-NH2 3.17Å; D241-R243 PolarHBondContact OD2-NH2 3.09Å |
| 244 | K | 83.1 | Confident | 88 | Confident | 144 Ų | 144 | 50.5 Ų | 50.5 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -141.4 | 52.8 | -170.1 | -65.5 | 179.8 | 179.4 | 170.2 | 0 | 113 | D241 T242 S246 | D241-K244 HydrophobicContact CB-CB 4.27Å; D241-K244 CarbonylContact O-C 3.49Å; D241-K244 PolarHBondContact O-N 2.82Å; T242-K244 VanDerWaalsContact C-N 3.26Å; T242-K244 PolarHBondContact O-N 3.3Å; K244-S246 PolarHBondContact O-N 2.98Å |
| 245 | G | 77.4 | Confident | 88 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | R247 | G245-R247 PolarHBondContact O-N 3.46Š|
| 246 | S | 80.6 | Confident | 87.8 | Confident | 101 Ų | 101 | 52.4 Ų | 52.4 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -22.6 | -175.8 | 63 | 0 | 0 | 0 | 0 | 114.8 | K244 | K244-S246 PolarHBondContact O-N 2.98Š|
| 247 | R | 84.9 | Confident | 87.5 | Confident | 195 Ų | 195 | 53.3 Ų | 53.3 | 74% | 0.736 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -157.8 | 152.8 | 178.2 | 56.6 | -177.5 | 174.1 | -171.8 | -1 | 109.8 | G245 | G245-R247 PolarHBondContact O-N 3.46Š|
| 248 | P | 86 | Confident | 87.4 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 20% | 0.201 | 28% | 0.277 | C | S | . | . | trans | -63.7 | 144.6 | 175.2 | 27.4 | -33.4 | 0 | 0 | 0 | 110.2 | I239 W240 R250 A251 | I239-P248 CarbonylContact O-C 3.57Å; I239-P248 WeakPolarHBondContact O-CA 3.44Å; I239-P248 WeakPolarHBondContact O-CB 3.41Å; W240-P248 HydrophobicContact CD2-CB 3.97Å; W240-P248 HydrophobicContact CE3-CB 4.16Å; W240-P248 HydrophobicContact CH2-CB 4.22Å; W240-P248 HydrophobicContact CH2-CG 4.3Å; W240-P248 HydrophobicContact CZ2-CB 4Å; W240-P248 HydrophobicContact CZ2-CG 4.3Å; W240-P248 HydrophobicContact CZ3-CB 4.31Å; W240-P248 VanDerWaalsContact CZ3-N 3.26Å; P248-R250 VanDerWaalsContact C-N 3.33Å; P248-A251 HydrophobicContact CB-CB 4.24Å; P248-A251 HydrophobicContact CG-CB 3.83Å | ||
| 249 | F | 85.1 | Confident | 87.5 | Confident | 125 Ų | 125 | 54.3 Ų | 54.3 | 55% | 0.548 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -63.8 | -40.1 | 172.9 | 174.7 | -109.4 | 0 | 0 | 0 | 111 | L227 I239 D241 | L227-F249 HydrophobicContact CD2-CD1 4.46Å; I239-F249 HydrophobicContact CG2-CD1 4.34Å; I239-F249 PolarHBondContact O-N 3.44Å; D241-F249 HydrophobicContact CB-CB 4.5Å |
| 250 | R | 86.2 | Confident | 87.5 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 142.5 | 167.7 | -68.3 | -176 | 173.3 | -162.7 | -4.1 | 109.8 | I239 P248 L291 S293 | I239-R250 HydrophobicContact CB-CB 4.4Å; I239-R250 HydrophobicContact CD1-CB 4.48Å; I239-R250 PolarHBondContact N-O 3.19Å; I239-R250 PolarHBondContact O-N 3.48Å; P248-R250 VanDerWaalsContact C-N 3.33Å; R250-L291 PolarHBondContact NH1-O 3.03Å; R250-L291 PolarHBondContact NH2-O 3.35Å; R250-S293 PolarHBondContact NH2-OG 3Å |
| 251 | A | 88.4 | Confident | 87.6 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 129.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V236 V237 P248 | V236-A251 HydrophobicContact CG1-CB 4.31Å; V237-A251 VanDerWaalsContact O-CA 3.29Å; V237-A251 WeakPolarHBondContact O-CA 3.4Å; P248-A251 HydrophobicContact CB-CB 4.24Å; P248-A251 HydrophobicContact CG-CB 3.83Å |
| 252 | F | 89.1 | Confident | 87.8 | Confident | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 153.5 | -173.1 | 60 | -84.7 | 0 | 0 | 0 | 111.4 | V236 V237 I239 G254 W289 L291 P303 | V236-F252 CarbonylContact C-O 3.59Å; V236-F252 WeakPolarHBondContact CA-O 3.28Å; V237-F252 HydrophobicContact CB-CD1 4.25Å; V237-F252 HydrophobicContact CB-CD2 4.26Å; V237-F252 HydrophobicContact CB-CE1 3.77Å; V237-F252 HydrophobicContact CB-CE2 3.78Å; V237-F252 HydrophobicContact CB-CG 4.48Å; V237-F252 HydrophobicContact CB-CZ 3.52Å; V237-F252 HydrophobicContact CG1-CE1 3.76Å; V237-F252 HydrophobicContact CG1-CE2 4.32Å; V237-F252 HydrophobicContact CG1-CZ 3.59Å; V237-F252 HydrophobicContact CG2-CD2 4.42Å; V237-F252 HydrophobicContact CG2-CE2 3.78Å; V237-F252 HydrophobicContact CG2-CZ 3.9Å; V237-F252 PolarHBondContact N-O 2.8Å; V237-F252 PolarHBondContact O-N 3.14Å; I239-F252 HydrophobicContact CD1-CE1 4.29Å; F252-G254 PolarHBondContact O-N 3.23Å; F252-W289 HydrophobicContact CD2-CE3 4.21Å; F252-W289 HydrophobicContact CD2-CH2 4.31Å; F252-W289 HydrophobicContact CD2-CZ3 4.07Å; F252-W289 AromaticContact CE2-CD2 3.6Å; F252-W289 HydrophobicContact CE2-CD2 3.6Å; F252-W289 AromaticContact CE2-CE2 3.81Å; F252-W289 AromaticContact CE2-CE3 3.67Å; F252-W289 HydrophobicContact CE2-CE3 3.67Å; F252-W289 HydrophobicContact CE2-CG 4.12Å; F252-W289 HydrophobicContact CE2-CH2 4.18Å; F252-W289 HydrophobicContact CE2-CZ2 4.13Å; F252-W289 AromaticContact CE2-CZ3 3.94Å; F252-W289 HydrophobicContact CE2-CZ3 3.94Å; F252-W289 HydrophobicContact CZ-CD2 4.25Å; F252-W289 HydrophobicContact CZ-CG 4.31Å; F252-L291 HydrophobicContact CE1-CD2 4.13Å; F252-L291 HydrophobicContact CZ-CD2 4.3Å; F252-P303 HydrophobicContact CD1-CG 3.72Å; F252-P303 HydrophobicContact CD2-CG 3.74Å; F252-P303 HydrophobicContact CE1-CG 3.63Å; F252-P303 HydrophobicContact CE2-CG 3.65Å; F252-P303 HydrophobicContact CG-CG 3.78Å; F252-P303 HydrophobicContact CZ-CG 3.58Å |
| 253 | Q | 88.9 | Confident | 88.1 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 101.1 | 178.2 | -171.4 | 75.1 | 35.4 | 0 | 0 | 109.2 | N234 G235 H255 R1438 | N234-Q253 PolarHBondContact O-NE2 2.99Å; G235-Q253 VanDerWaalsContact C-NE2 3.32Å; G235-Q253 PolarHBondContact O-NE2 3.41Å; Q253-H255 PolarHBondContact NE2-O 3.42Å; Q253-R1438 VanDerWaalsContact OE1-CZ 3.3Å; Q253-R1438 VanDerWaalsContact OE1-NH2 3.11Å |
| 254 | G | 85 | Confident | 88.4 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -79 | -48.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | G235 F252 K287 W289 | G235-G254 PolarHBondContact O-N 2.85Å; F252-G254 PolarHBondContact O-N 3.23Å; G254-K287 PolarHBondContact O-NZ 2.76Å; G254-W289 WeakPolarHBondContact O-CZ2 3.37Å | ||
| 255 | H | 89.9 | Confident | 88.8 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -124 | 157.9 | -172.3 | -77.4 | -95.5 | 0 | 0 | 0 | 111.3 | G235 Q253 I259 T278 G280 D283 L285 | G235-H255 PolarHBondContact O-N 3.19Å; Q253-H255 PolarHBondContact NE2-O 3.42Å; H255-I259 HydrophobicContact CB-CG1 3.94Å; H255-T278 PolarHBondContact CD2-OG1 2.97Å; H255-T278 PolarHBondContact NE2-O 3.49Å; H255-T278 PolarHBondContact NE2-OG1 2.87Å; H255-G280 PolarHBondContact CE1-N 2.86Å; H255-G280 VanDerWaalsContact CE1-N 3.34Å; H255-G280 PolarHBondContact ND1-N 2.94Å; H255-D283 VanDerWaalsContact CB-OD2 3.25Å; H255-D283 WeakPolarHBondContact CB-OD2 3.33Å; H255-D283 IonicContact CE1-OD1 3.6Å; H255-D283 IonicContact CG-OD2 3.08Å; H255-D283 IonicContact ND1-OD1 2.69Å; H255-D283 PolarHBondContact ND1-OD1 3.09Å; H255-D283 VanDerWaalsContact ND1-OD1 3.16Å; H255-D283 IonicContact ND1-OD2 3.97Å; H255-D283 PolarHBondContact ND1-OD2 3.11Å; H255-L285 PolarHBondContact CE1-O 2.83Å; H255-L285 VanDerWaalsContact CE1-O 3.31Å | ||
| 256 | S | 86.4 | Confident | 89.1 | Confident | 87 Ų | 87 | 41.2 Ų | 41.2 | 61% | 0.608 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -79.7 | -27.1 | 175.1 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | D283 | S256-D283 PolarHBondContact N-OD2 3.14Å; S256-D283 WeakPolarHBondContact OG-CB 3.49Å |
| 257 | C | 87 | Confident | 88.9 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -105.1 | 178.6 | 175.3 | -73.9 | 0 | 0 | 0 | 0 | 112 | G235 I259 R282 D283 | G235-C257 WeakPolarHBondContact CA-O 3.23Å; C257-I259 PolarHBondContact O-N 3.21Å; C257-R282 HydrophobicContact CB-CB 4.29Å; C257-D283 HydrophobicContact CB-CB 4.1Å |
| 258 | S | 91.5 | Very high | 88.3 | Confident | 23 Ų | 23 | 30.8 Ų | 30.8 | 16% | 0.161 | 17% | 0.173 | C | C | . | . | trans | -51 | 128.2 | 166.6 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | E233 A281 | E233-S258 WeakPolarHBondContact CA-OG 3.37Å; E233-S258 WeakPolarHBondContact O-CA 3.35Å; E233-S258 WeakPolarHBondContact O-CB 3.49Å; E233-S258 PolarHBondContact O-N 2.79Å; S258-A281 WeakPolarHBondContact O-CB 3.2Å; S258-A281 PolarHBondContact O-N 2.99Å | ||
| 259 | I | 94.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 133.5 | 165.1 | -60.3 | 158.3 | 0 | 0 | 0 | 106.8 | A231 V237 H255 C257 T261 A279 | A231-I259 HydrophobicContact CB-CB 3.89Å; A231-I259 HydrophobicContact CB-CG2 3.47Å; A231-I259 VanDerWaalsContact CB-CG2 3.47Å; V237-I259 HydrophobicContact CG2-CD1 3.62Å; H255-I259 HydrophobicContact CB-CG1 3.94Å; C257-I259 PolarHBondContact O-N 3.21Å; I259-T261 VanDerWaalsContact CG2-O 3.23Å; I259-T261 WeakPolarHBondContact CG2-O 3.45Å; I259-A279 WeakPolarHBondContact CA-O 3.47Å; I259-A279 WeakPolarHBondContact CG2-O 3.27Å |
| 260 | A | 92.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A279 A281 V314 | A260-A279 PolarHBondContact N-O 3.44Å; A260-A281 HydrophobicContact CB-CB 3.94Å; A260-V314 WeakPolarHBondContact CB-O 3.39Å |
| 261 | T | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 156.6 | -163.4 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | D217 I259 A279 V317 | D217-T261 WeakPolarHBondContact OD2-CA 3.45Å; D217-T261 VanDerWaalsContact OD2-CB 3.31Å; D217-T261 WeakPolarHBondContact OD2-CB 3.33Å; D217-T261 PolarHBondContact OD2-OG1 3.2Å; I259-T261 VanDerWaalsContact CG2-O 3.23Å; I259-T261 WeakPolarHBondContact CG2-O 3.45Å; T261-A279 HydrophobicContact CG2-CB 3.96Å; T261-A279 PolarHBondContact O-N 2.82Å; T261-V317 HydrophobicContact CG2-CB 4.05Å; T261-V317 HydrophobicContact CG2-CG2 3.99Å |
| 262 | L | 95.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 157.5 | 170.6 | 58.6 | 68.3 | 0 | 0 | 0 | 111.9 | D217 A229 A231 A277 T278 | D217-L262 HydrophobicContact CB-CG 4.46Å; D217-L262 PolarHBondContact OD2-N 3.39Å; A229-L262 HydrophobicContact CB-CD1 4.23Å; A229-L262 HydrophobicContact CB-CD2 3.85Å; A231-L262 HydrophobicContact CB-CD2 3.87Å; A231-L262 HydrophobicContact CB-CG 4.12Å; L262-A277 CarbonylContact C-O 3.59Å; L262-A277 VanDerWaalsContact CA-O 3.26Å; L262-A277 WeakPolarHBondContact CA-O 3.47Å; L262-A277 WeakPolarHBondContact CB-O 3.37Å; L262-T278 HydrophobicContact CB-CG2 4.02Å |
| 263 | D | 95.3 | Very high | 82.6 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 134.8 | 178.1 | -155.4 | 46.9 | 0 | 0 | 0 | 111.9 | A277 R318 W319 | D263-A277 PolarHBondContact N-O 2.93Å; D263-A277 PolarHBondContact O-N 2.87Å; D263-R318 WeakPolarHBondContact OD1-CD 3.36Å; D263-R318 IonicContact OD1-CZ 2.76Å; D263-R318 IonicContact OD1-NE 3.93Å; D263-R318 IonicContact OD1-NH1 3.55Å; D263-R318 PolarHBondContact OD1-NH1 2.98Å; D263-R318 VanDerWaalsContact OD2-CA 3.25Å; D263-R318 WeakPolarHBondContact OD2-CA 3.25Å; D263-W319 PolarHBondContact O-NE1 3.32Å; D263-W319 PolarHBondContact OD2-N 3.48Å |
| 264 | W | 93.3 | Very high | 82.2 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 4% | 0.038 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 145.2 | 176.4 | -61.7 | 101.2 | 0 | 0 | 0 | 110.8 | S219 F220 C221 P222 L227 A229 I239 W268 L276 L291 | S219-W264 PolarHBondContact O-NE1 2.97Å; F220-W264 VanDerWaalsContact C-CD1 3.45Å; F220-W264 VanDerWaalsContact C-NE1 3.29Å; F220-W264 PolarHBondContact O-NE1 3.15Å; C221-W264 HydrophobicContact CB-CD2 4.16Å; C221-W264 HydrophobicContact CB-CH2 4.38Å; C221-W264 HydrophobicContact CB-CZ2 3.97Å; P222-W264 HydrophobicContact CG-CB 4.46Å; L227-W264 HydrophobicContact CB-CZ2 4.45Å; A229-W264 HydrophobicContact CB-CH2 4.05Å; A229-W264 HydrophobicContact CB-CZ2 3.38Å; I239-W264 HydrophobicContact CD1-CH2 4.25Å; I239-W264 HydrophobicContact CG1-CH2 4.39Å; I239-W264 HydrophobicContact CG2-CH2 4.14Å; W264-W268 HydrophobicContact CE3-CD2 4.38Å; W264-W268 AromaticContact CE3-CE3 3.64Å; W264-W268 HydrophobicContact CE3-CE3 3.64Å; W264-W268 AromaticContact CE3-CH2 3.84Å; W264-W268 HydrophobicContact CE3-CH2 3.84Å; W264-W268 AromaticContact CE3-CZ3 3.33Å; W264-W268 HydrophobicContact CE3-CZ3 3.33Å; W264-W268 HydrophobicContact CH2-CH2 4.36Å; W264-W268 HydrophobicContact CZ3-CE3 4.06Å; W264-W268 AromaticContact CZ3-CH2 3.35Å; W264-W268 HydrophobicContact CZ3-CH2 3.35Å; W264-W268 HydrophobicContact CZ3-CZ2 4.01Å; W264-W268 AromaticContact CZ3-CZ3 3.36Å; W264-W268 HydrophobicContact CZ3-CZ3 3.36Å; W264-L276 HydrophobicContact CD2-CD1 3.78Å; W264-L276 HydrophobicContact CE3-CB 4.25Å; W264-L276 HydrophobicContact CE3-CD1 3.81Å; W264-L276 HydrophobicContact CG-CD1 4.14Å; W264-L276 HydrophobicContact CZ3-CD1 4.36Å; W264-L291 HydrophobicContact CE3-CD1 4.41Å; W264-L291 HydrophobicContact CH2-CD1 4.32Å; W264-L291 HydrophobicContact CZ3-CD1 3.57Å |
| 265 | H | 91.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -64 | 135.5 | 175.6 | -163.8 | -79 | 0 | 0 | 0 | 111.7 | N267 W268 W275 W319 M324 | H265-N267 VanDerWaalsContact C-N 3.32Å; H265-N267 PolarHBondContact ND1-N 2.8Å; H265-N267 PolarHBondContact O-N 2.89Å; H265-W268 VanDerWaalsContact O-CB 3.3Å; H265-W268 WeakPolarHBondContact O-CB 3.45Å; H265-W268 PolarHBondContact O-N 2.95Å; H265-W268 VanDerWaalsContact O-N 3.14Å; H265-W275 HydrophobicContact CB-CB 3.94Å; H265-W275 AromaticContact CD2-CE3 3.99Å; H265-W275 PolarHBondContact N-O 2.86Å; H265-W275 VanDerWaalsContact N-O 3.09Å; H265-W319 HydrophobicContact CB-CD2 4.49Å; H265-W319 AromaticContact CD2-CD2 3.62Å; H265-W319 AromaticContact CD2-CE2 3.91Å; H265-W319 AromaticContact CD2-CE3 3.43Å; H265-W319 VanDerWaalsContact CD2-CE3 3.43Å; H265-W319 AromaticContact CD2-CH2 3.84Å; H265-W319 AromaticContact CD2-CZ3 3.55Å; H265-W319 AromaticContact NE2-CE3 3.88Å; H265-M324 PolarHBondContact CE1-SD 2.94Å; H265-M324 PolarHBondContact NE2-O 3.18Å | ||
| 266 | P | 84.2 | Confident | 82.6 | Confident | 38 Ų | 38 | 34.4 Ų | 34.4 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -36.7 | -178.5 | 23.7 | -34.4 | 0 | 0 | 0 | 112.7 | W268 W319 | P266-W268 PolarHBondContact O-N 2.91Å; P266-W319 HydrophobicContact CG-CB 4.39Å |
| 267 | N | 75.4 | Confident | 83 | Confident | 68 Ų | 68 | 30.3 Ų | 30.3 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 32.1 | 176.9 | -57.3 | -15.5 | 0 | 0 | 0 | 111.3 | H265 N269 T322 | H265-N267 VanDerWaalsContact C-N 3.32Å; H265-N267 PolarHBondContact ND1-N 2.8Å; H265-N267 PolarHBondContact O-N 2.89Å; N267-N269 PolarHBondContact O-N 2.83Å; N267-N269 VanDerWaalsContact O-N 3.15Å; N267-T322 PolarHBondContact ND2-O 2.97Å |
| 268 | W | 72.9 | Confident | 83.4 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 4% | 0.038 | 16% | 0.162 | C | C | . | . | trans | -49.4 | 120.2 | 176.6 | 175.5 | -83.4 | 0 | 0 | 0 | 110.8 | C221 P222 K223 W264 H265 P266 C273 N274 L291 | C221-W268 VanDerWaalsContact SG-CE2 3.54Å; C221-W268 PolarHBondContact SG-NE1 3.2Å; P222-W268 HydrophobicContact CG-CB 4.16Å; K223-W268 HydrophobicContact CG-CB 4.34Å; K223-W268 WeakPolarHBondContact CG-O 3.21Å; W264-W268 HydrophobicContact CE3-CD2 4.38Å; W264-W268 AromaticContact CE3-CE3 3.64Å; W264-W268 HydrophobicContact CE3-CE3 3.64Å; W264-W268 AromaticContact CE3-CH2 3.84Å; W264-W268 HydrophobicContact CE3-CH2 3.84Å; W264-W268 AromaticContact CE3-CZ3 3.33Å; W264-W268 HydrophobicContact CE3-CZ3 3.33Å; W264-W268 HydrophobicContact CH2-CH2 4.36Å; W264-W268 HydrophobicContact CZ3-CE3 4.06Å; W264-W268 AromaticContact CZ3-CH2 3.35Å; W264-W268 HydrophobicContact CZ3-CH2 3.35Å; W264-W268 HydrophobicContact CZ3-CZ2 4.01Å; W264-W268 AromaticContact CZ3-CZ3 3.36Å; W264-W268 HydrophobicContact CZ3-CZ3 3.36Å; H265-W268 VanDerWaalsContact O-CB 3.3Å; H265-W268 WeakPolarHBondContact O-CB 3.45Å; H265-W268 PolarHBondContact O-N 2.95Å; H265-W268 VanDerWaalsContact O-N 3.14Å; P266-W268 PolarHBondContact O-N 2.91Å; W268-C273 VanDerWaalsContact CA-O 3.3Å; W268-C273 WeakPolarHBondContact CA-O 3.36Å; W268-N274 HydrophobicContact CE3-CB 4.41Å; W268-N274 HydrophobicContact CH2-CB 3.57Å; W268-N274 VanDerWaalsContact CH2-CG 3.46Å; W268-N274 HydrophobicContact CZ2-CB 3.92Å; W268-N274 WeakPolarHBondContact CZ2-OD1 3.35Å; W268-N274 HydrophobicContact CZ3-CB 3.86Å; W268-N274 PolarHBondContact NE1-OD1 2.99Å; W268-L291 HydrophobicContact CH2-CB 4.05Å; W268-L291 HydrophobicContact CH2-CD1 3.67Å; W268-L291 HydrophobicContact CH2-CG 4.47Å; W268-L291 HydrophobicContact CZ3-CD1 3.9Å | ||
| 269 | N | 70.2 | Confident | 83.5 | Confident | 64 Ų | 64 | 27.7 Ų | 27.7 | 34% | 0.342 | 15% | 0.154 | S | C | . | . | B | Isolated β-bridge | trans | -137.8 | 127.6 | 176.6 | 177 | 24.5 | 0 | 0 | 0 | 110.7 | N267 T271 T272 C273 N274 | N267-N269 PolarHBondContact O-N 2.83Å; N267-N269 VanDerWaalsContact O-N 3.15Å; N269-T271 PolarHBondContact ND2-OG1 2.92Å; N269-T271 PolarHBondContact O-N 2.8Å; N269-T271 VanDerWaalsContact O-N 3.08Å; N269-T271 PolarHBondContact OD1-N 2.96Å; N269-T272 PolarHBondContact ND2-N 3.38Å; N269-T272 PolarHBondContact ND2-OG1 2.86Å; N269-T272 PolarHBondContact O-N 2.99Å; N269-C273 PolarHBondContact N-O 2.86Å; N269-C273 CarbonylContact O-C 3.59Å; N269-C273 VanDerWaalsContact O-C 3.29Å; N269-C273 PolarHBondContact O-N 2.79Å; N269-N274 PolarHBondContact O-N 2.94Å; N269-N274 PolarHBondContact O-OD1 3.42Å |
| 270 | M | 60.7 | Low | 83.2 | Confident | 106 Ų | 106 | 27.7 Ų | 27.7 | 52% | 0.522 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.6 | -174.2 | -140.4 | -176.3 | -169.1 | 0 | 0 | 113.8 | Q224 N274 N292 | Q224-M270 PolarHBondContact NE2-SD 2.97Å; M270-N274 VanDerWaalsContact CA-OD1 3.26Å; M270-N274 WeakPolarHBondContact CA-OD1 3.41Å; M270-N274 PolarHBondContact N-OD1 2.94Å; M270-N292 PolarHBondContact O-ND2 2.96Å; M270-N292 PolarHBondContact O-OD1 2.9Å; M270-N292 VanDerWaalsContact O-OD1 3.13Å |
| 271 | T | 56.7 | Low | 82.9 | Confident | 111 Ų | 111 | 28 Ų | 28 | 68% | 0.681 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -48.7 | 175.1 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | N269 N292 | N269-T271 PolarHBondContact ND2-OG1 2.92Å; N269-T271 PolarHBondContact O-N 2.8Å; N269-T271 VanDerWaalsContact O-N 3.08Å; N269-T271 PolarHBondContact OD1-N 2.96Å; T271-N292 PolarHBondContact O-ND2 2.8Å |
| 272 | T | 60.5 | Low | 82.5 | Confident | 104 Ų | 104 | 36.2 Ų | 36.2 | 64% | 0.638 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -34.2 | -168.1 | 61.9 | 0 | 0 | 0 | 0 | 116.3 | N269 | N269-T272 PolarHBondContact ND2-N 3.38Å; N269-T272 PolarHBondContact ND2-OG1 2.86Å; N269-T272 PolarHBondContact O-N 2.99Å |
| 273 | C | 67.5 | Low | 82.1 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -140.1 | 70.3 | -170 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | W268 N269 W275 M324 | W268-C273 VanDerWaalsContact CA-O 3.3Å; W268-C273 WeakPolarHBondContact CA-O 3.36Å; N269-C273 PolarHBondContact N-O 2.86Å; N269-C273 CarbonylContact O-C 3.59Å; N269-C273 VanDerWaalsContact O-C 3.29Å; N269-C273 PolarHBondContact O-N 2.79Å; C273-W275 VanDerWaalsContact C-N 3.27Å; C273-W275 PolarHBondContact O-N 2.88Å; C273-W275 VanDerWaalsContact SG-CD2 3.58Å; C273-W275 VanDerWaalsContact SG-CG 3.56Å; C273-M324 HydrophobicContact CB-CE 4.45Å; C273-M324 HydrophobicContact CB-SD 4.48Å; C273-M324 VanDerWaalsContact SG-SD 3.61Å |
| 274 | N | 81.2 | Confident | 81.7 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | trans | -90.2 | 60.4 | 173.4 | -93.4 | 4.9 | 0 | 0 | 0 | 111.1 | W268 N269 M270 L291 N292 | W268-N274 HydrophobicContact CE3-CB 4.41Å; W268-N274 HydrophobicContact CH2-CB 3.57Å; W268-N274 VanDerWaalsContact CH2-CG 3.46Å; W268-N274 HydrophobicContact CZ2-CB 3.92Å; W268-N274 WeakPolarHBondContact CZ2-OD1 3.35Å; W268-N274 HydrophobicContact CZ3-CB 3.86Å; W268-N274 PolarHBondContact NE1-OD1 2.99Å; N269-N274 PolarHBondContact O-N 2.94Å; N269-N274 PolarHBondContact O-OD1 3.42Å; M270-N274 VanDerWaalsContact CA-OD1 3.26Å; M270-N274 WeakPolarHBondContact CA-OD1 3.41Å; M270-N274 PolarHBondContact N-OD1 2.94Å; N274-L291 HydrophobicContact CB-CB 4.23Å; N274-L291 WeakPolarHBondContact O-CB 3.4Å; N274-L291 PolarHBondContact O-N 2.91Å; N274-N292 HydrophobicContact CB-CB 4.48Å; N274-N292 WeakPolarHBondContact CB-OD1 3.25Å; N274-N292 PolarHBondContact ND2-OD1 2.95Å | ||
| 275 | W | 90.2 | Very high | 81.5 | Confident | 31 Ų | 31 | 42 Ų | 42 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134.9 | -172.8 | -64 | 10.1 | 0 | 0 | 0 | 113 | H265 C273 V288 W289 L306 Y307 W319 M324 | H265-W275 HydrophobicContact CB-CB 3.94Å; H265-W275 AromaticContact CD2-CE3 3.99Å; H265-W275 PolarHBondContact N-O 2.86Å; H265-W275 VanDerWaalsContact N-O 3.09Å; C273-W275 VanDerWaalsContact C-N 3.27Å; C273-W275 PolarHBondContact O-N 2.88Å; C273-W275 VanDerWaalsContact SG-CD2 3.58Å; C273-W275 VanDerWaalsContact SG-CG 3.56Å; W275-V288 HydrophobicContact CB-CG1 4.18Å; W275-V288 HydrophobicContact CD2-CG1 4.23Å; W275-V288 HydrophobicContact CE3-CG1 4.12Å; W275-V288 HydrophobicContact CG-CG1 4.27Å; W275-W289 WeakPolarHBondContact CA-O 3.46Å; W275-L306 HydrophobicContact CD2-CD1 3.93Å; W275-L306 HydrophobicContact CG-CD1 4.09Å; W275-L306 HydrophobicContact CZ2-CD1 3.84Å; W275-Y307 AromaticContact CH2-CE2 3.81Å; W275-Y307 HydrophobicContact CH2-CE2 3.81Å; W275-Y307 HydrophobicContact CZ2-CE2 4.37Å; W275-Y307 HydrophobicContact CZ3-CE2 4.08Å; W275-W319 HydrophobicContact CB-CZ2 4.4Å; W275-W319 AromaticContact CE3-CH2 3.79Å; W275-W319 HydrophobicContact CE3-CH2 3.79Å; W275-W319 HydrophobicContact CE3-CZ3 4.33Å; W275-W319 HydrophobicContact CZ3-CH2 4.42Å; W275-M324 HydrophobicContact CH2-CG 4.32Å; W275-M324 HydrophobicContact CZ3-CG 4.29Å; W275-M324 HydrophobicContact CZ3-SD 4.46Å |
| 276 | L | 93.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.4 | 172.6 | 177.1 | 73.6 | 0 | 0 | 0 | 109 | A229 V237 W264 T278 V288 W289 L291 | A229-L276 HydrophobicContact CB-CD1 4.12Å; A229-L276 HydrophobicContact CB-CD2 4.3Å; V237-L276 HydrophobicContact CG1-CD2 3.86Å; W264-L276 HydrophobicContact CD2-CD1 3.78Å; W264-L276 HydrophobicContact CE3-CB 4.25Å; W264-L276 HydrophobicContact CE3-CD1 3.81Å; W264-L276 HydrophobicContact CG-CD1 4.14Å; W264-L276 HydrophobicContact CZ3-CD1 4.36Å; L276-T278 HydrophobicContact CD2-CG2 4.19Å; L276-T278 HydrophobicContact CG-CG2 4.26Å; L276-V288 WeakPolarHBondContact O-CA 3.38Å; L276-W289 PolarHBondContact N-O 3.12Å; L276-W289 VanDerWaalsContact N-O 3.15Å; L276-W289 PolarHBondContact O-N 2.91Å; L276-L291 HydrophobicContact CB-CD1 3.78Å; L276-L291 HydrophobicContact CD2-CD1 4.28Å |
| 277 | A | 94.5 | Very high | 82 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L262 D263 K287 V317 W319 | L262-A277 CarbonylContact C-O 3.59Å; L262-A277 VanDerWaalsContact CA-O 3.26Å; L262-A277 WeakPolarHBondContact CA-O 3.47Å; L262-A277 WeakPolarHBondContact CB-O 3.37Å; D263-A277 PolarHBondContact N-O 2.93Å; D263-A277 PolarHBondContact O-N 2.87Å; A277-K287 CarbonylContact C-O 3.59Å; A277-K287 WeakPolarHBondContact CA-O 3.47Å; A277-V317 HydrophobicContact CB-CG1 4.23Å; A277-W319 HydrophobicContact CB-CZ2 3.81Å |
| 278 | T | 95.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143.9 | 170.6 | 65.1 | 0 | 0 | 0 | 0 | 110 | V237 H255 L262 L276 I286 K287 W289 | V237-T278 HydrophobicContact CG2-CG2 3.88Å; H255-T278 PolarHBondContact CD2-OG1 2.97Å; H255-T278 PolarHBondContact NE2-O 3.49Å; H255-T278 PolarHBondContact NE2-OG1 2.87Å; L262-T278 HydrophobicContact CB-CG2 4.02Å; L276-T278 HydrophobicContact CD2-CG2 4.19Å; L276-T278 HydrophobicContact CG-CG2 4.26Å; T278-I286 CarbonylContact O-C 3.51Å; T278-I286 WeakPolarHBondContact O-CA 3.3Å; T278-K287 PolarHBondContact N-O 2.97Å; T278-K287 PolarHBondContact O-N 2.71Å; T278-W289 PolarHBondContact OG1-NE1 2.87Å |
| 279 | A | 93.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | I259 A260 T261 L285 I286 V314 V317 | I259-A279 WeakPolarHBondContact CA-O 3.47Å; I259-A279 WeakPolarHBondContact CG2-O 3.27Å; A260-A279 PolarHBondContact N-O 3.44Å; T261-A279 HydrophobicContact CG2-CB 3.96Å; T261-A279 PolarHBondContact O-N 2.82Å; A279-L285 WeakPolarHBondContact CA-O 3.24Å; A279-I286 HydrophobicContact CB-CB 4.37Å; A279-I286 HydrophobicContact CB-CG1 3.92Å; A279-I286 HydrophobicContact CB-CG2 4.33Å; A279-V314 HydrophobicContact CB-CB 3.76Å; A279-V314 HydrophobicContact CB-CG1 3.73Å; A279-V314 HydrophobicContact CB-CG2 4.13Å; A279-V317 HydrophobicContact CB-CG2 3.65Å |
| 280 | G | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H255 R282 D283 L285 | H255-G280 PolarHBondContact CE1-N 2.86Å; H255-G280 VanDerWaalsContact CE1-N 3.34Å; H255-G280 PolarHBondContact ND1-N 2.94Å; G280-R282 PolarHBondContact O-N 3.15Å; G280-R282 VanDerWaalsContact O-N 3.16Å; G280-D283 VanDerWaalsContact CA-OD1 3.29Å; G280-D283 WeakPolarHBondContact CA-OD1 3.32Å; G280-L285 PolarHBondContact N-O 2.99Å; G280-L285 VanDerWaalsContact N-O 3.12Å |
| 281 | A | 85.5 | Confident | 85.6 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -65.9 | -18.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | S258 A260 N313 | S258-A281 WeakPolarHBondContact O-CB 3.2Å; S258-A281 PolarHBondContact O-N 2.99Å; A260-A281 HydrophobicContact CB-CB 3.94Å; A281-N313 VanDerWaalsContact O-CB 3.31Å; A281-N313 WeakPolarHBondContact O-CB 3.3Å; A281-N313 VanDerWaalsContact O-CG 3.25Å |
| 282 | R | 86.8 | Confident | 86.5 | Confident | 172 Ų | 172 | 29.5 Ų | 29.5 | 65% | 0.649 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -152.9 | 15.7 | -171.2 | -67.4 | -168.9 | -67.5 | 142.6 | 1.1 | 114.8 | C257 G280 N313 | C257-R282 HydrophobicContact CB-CB 4.29Å; G280-R282 PolarHBondContact O-N 3.15Å; G280-R282 VanDerWaalsContact O-N 3.16Å; R282-N313 WeakPolarHBondContact CA-OD1 3.26Å |
| 283 | D | 86.2 | Confident | 86.3 | Confident | 22 Ų | 22 | 26.7 Ų | 26.7 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -113.5 | 4.9 | 176.7 | 72.4 | -0.6 | 0 | 0 | 0 | 114.3 | H255 S256 C257 G280 L285 | H255-D283 VanDerWaalsContact CB-OD2 3.25Å; H255-D283 WeakPolarHBondContact CB-OD2 3.33Å; H255-D283 IonicContact CE1-OD1 3.6Å; H255-D283 IonicContact CG-OD2 3.08Å; H255-D283 IonicContact ND1-OD1 2.69Å; H255-D283 PolarHBondContact ND1-OD1 3.09Å; H255-D283 VanDerWaalsContact ND1-OD1 3.16Å; H255-D283 IonicContact ND1-OD2 3.97Å; H255-D283 PolarHBondContact ND1-OD2 3.11Å; S256-D283 PolarHBondContact N-OD2 3.14Å; S256-D283 WeakPolarHBondContact OG-CB 3.49Å; C257-D283 HydrophobicContact CB-CB 4.1Å; G280-D283 VanDerWaalsContact CA-OD1 3.29Å; G280-D283 WeakPolarHBondContact CA-OD1 3.32Å; D283-L285 WeakPolarHBondContact O-CG 3.45Å; D283-L285 PolarHBondContact O-N 2.99Å; D283-L285 PolarHBondContact OD1-N 3.21Å |
| 284 | H | 87.2 | Confident | 85.3 | Confident | 90 Ų | 90 | 33.4 Ų | 33.4 | 42% | 0.417 | 17% | 0.172 | S | C | . | . | trans | 65.2 | 19.1 | 174.8 | -58.6 | -66.3 | 0 | 0 | 0 | 115.2 | R310 T311 N313 | H284-R310 WeakPolarHBondContact O-CA 3.39Å; H284-T311 WeakPolarHBondContact CA-O 3.47Å; H284-T311 VanDerWaalsContact CB-O 3.26Å; H284-T311 WeakPolarHBondContact CB-O 3.44Å; H284-T311 PolarHBondContact ND1-O 3.09Å; H284-T311 PolarHBondContact O-N 2.98Å; H284-N313 PolarHBondContact CE1-OD1 3.21Å | ||
| 285 | L | 90.8 | Very high | 83.2 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138.7 | -177.2 | -56 | -178.7 | 0 | 0 | 0 | 113.2 | H255 A279 G280 D283 T308 V309 R310 | H255-L285 PolarHBondContact CE1-O 2.83Å; H255-L285 VanDerWaalsContact CE1-O 3.31Å; A279-L285 WeakPolarHBondContact CA-O 3.24Å; G280-L285 PolarHBondContact N-O 2.99Å; G280-L285 VanDerWaalsContact N-O 3.12Å; D283-L285 WeakPolarHBondContact O-CG 3.45Å; D283-L285 PolarHBondContact O-N 2.99Å; D283-L285 PolarHBondContact OD1-N 3.21Å; L285-T308 HydrophobicContact CD1-CG2 4.34Å; L285-T308 HydrophobicContact CD2-CG2 3.74Å; L285-T308 HydrophobicContact CG-CG2 4.41Å; L285-V309 WeakPolarHBondContact CA-O 3.47Å; L285-R310 HydrophobicContact CD2-CG 3.89Å |
| 286 | I | 93.4 | Very high | 80.8 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.3 | 151.4 | -48.4 | 171.5 | 0 | 0 | 0 | 106.9 | T278 A279 T308 V309 T311 V314 V317 L327 | T278-I286 CarbonylContact O-C 3.51Å; T278-I286 WeakPolarHBondContact O-CA 3.3Å; A279-I286 HydrophobicContact CB-CB 4.37Å; A279-I286 HydrophobicContact CB-CG1 3.92Å; A279-I286 HydrophobicContact CB-CG2 4.33Å; I286-T308 CarbonylContact O-C 3.54Å; I286-T308 WeakPolarHBondContact O-CA 3.25Å; I286-V309 HydrophobicContact CB-CB 4.2Å; I286-V309 PolarHBondContact N-O 2.71Å; I286-V309 PolarHBondContact O-N 2.79Å; I286-T311 HydrophobicContact CD1-CG2 4.1Å; I286-T311 HydrophobicContact CG1-CG2 3.99Å; I286-V314 HydrophobicContact CD1-CG2 4.36Å; I286-V314 HydrophobicContact CG1-CG2 3.96Å; I286-V317 HydrophobicContact CD1-CG2 3.94Å; I286-V317 HydrophobicContact CG1-CG2 4.2Å; I286-V317 HydrophobicContact CG2-CG1 4.47Å; I286-V317 HydrophobicContact CG2-CG2 4.21Å; I286-L327 HydrophobicContact CD1-CD1 3.9Å; I286-L327 HydrophobicContact CG2-CD2 4.34Å |
| 287 | K | 92.5 | Very high | 78.2 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 17% | 0.17 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.5 | 177.8 | -68.3 | -178.8 | 177.8 | -175.6 | 0 | 110.8 | G254 A277 T278 W289 V305 Y307 T308 | G254-K287 PolarHBondContact O-NZ 2.76Å; A277-K287 CarbonylContact C-O 3.59Å; A277-K287 WeakPolarHBondContact CA-O 3.47Å; T278-K287 PolarHBondContact N-O 2.97Å; T278-K287 PolarHBondContact O-N 2.71Å; K287-W289 HydrophobicContact CB-CZ2 4.09Å; K287-W289 HydrophobicContact CD-CH2 4.1Å; K287-W289 HydrophobicContact CD-CZ2 3.48Å; K287-W289 VanDerWaalsContact CD-CZ2 3.48Å; K287-W289 HydrophobicContact CG-CZ2 4.47Å; K287-V305 HydrophobicContact CB-CG1 4.27Å; K287-V305 HydrophobicContact CD-CG2 4.26Å; K287-V305 HydrophobicContact CG-CG1 4.39Å; K287-Y307 WeakPolarHBondContact CA-O 3.47Å; K287-T308 HydrophobicContact CG-CG2 4.47Å |
| 288 | V | 93.2 | Very high | 75.5 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.7 | 171.5 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | W275 L276 V305 L306 Y307 W319 L327 L344 | W275-V288 HydrophobicContact CB-CG1 4.18Å; W275-V288 HydrophobicContact CD2-CG1 4.23Å; W275-V288 HydrophobicContact CE3-CG1 4.12Å; W275-V288 HydrophobicContact CG-CG1 4.27Å; L276-V288 WeakPolarHBondContact O-CA 3.38Å; V288-V305 CarbonylContact O-C 3.6Å; V288-V305 WeakPolarHBondContact O-CA 3.32Å; V288-L306 PolarHBondContact O-N 3.26Å; V288-Y307 HydrophobicContact CB-CD2 4.21Å; V288-Y307 HydrophobicContact CG1-CD2 4.29Å; V288-Y307 PolarHBondContact N-O 3.22Å; V288-W319 HydrophobicContact CB-CH2 4.44Å; V288-W319 HydrophobicContact CG1-CH2 3.81Å; V288-W319 HydrophobicContact CG1-CZ2 3.88Å; V288-W319 HydrophobicContact CG2-CH2 3.71Å; V288-W319 HydrophobicContact CG2-CZ2 3.88Å; V288-L327 HydrophobicContact CG2-CD2 4.39Å; V288-L344 HydrophobicContact CG2-CD1 3.82Å; V288-L344 HydrophobicContact CG2-CD2 4.06Å |
| 289 | W | 90.4 | Very high | 72.9 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.2 | -175.6 | -56.1 | 87.9 | 0 | 0 | 0 | 110.8 | F252 G254 W275 L276 T278 K287 P303 S304 V305 | F252-W289 HydrophobicContact CD2-CE3 4.21Å; F252-W289 HydrophobicContact CD2-CH2 4.31Å; F252-W289 HydrophobicContact CD2-CZ3 4.07Å; F252-W289 AromaticContact CE2-CD2 3.6Å; F252-W289 HydrophobicContact CE2-CD2 3.6Å; F252-W289 AromaticContact CE2-CE2 3.81Å; F252-W289 AromaticContact CE2-CE3 3.67Å; F252-W289 HydrophobicContact CE2-CE3 3.67Å; F252-W289 HydrophobicContact CE2-CG 4.12Å; F252-W289 HydrophobicContact CE2-CH2 4.18Å; F252-W289 HydrophobicContact CE2-CZ2 4.13Å; F252-W289 AromaticContact CE2-CZ3 3.94Å; F252-W289 HydrophobicContact CE2-CZ3 3.94Å; F252-W289 HydrophobicContact CZ-CD2 4.25Å; F252-W289 HydrophobicContact CZ-CG 4.31Å; G254-W289 WeakPolarHBondContact O-CZ2 3.37Å; W275-W289 WeakPolarHBondContact CA-O 3.46Å; L276-W289 PolarHBondContact N-O 3.12Å; L276-W289 VanDerWaalsContact N-O 3.15Å; L276-W289 PolarHBondContact O-N 2.91Å; T278-W289 PolarHBondContact OG1-NE1 2.87Å; K287-W289 HydrophobicContact CB-CZ2 4.09Å; K287-W289 HydrophobicContact CD-CH2 4.1Å; K287-W289 HydrophobicContact CD-CZ2 3.48Å; K287-W289 VanDerWaalsContact CD-CZ2 3.48Å; K287-W289 HydrophobicContact CG-CZ2 4.47Å; W289-P303 HydrophobicContact CE3-CB 4.41Å; W289-P303 HydrophobicContact CE3-CG 4Å; W289-S304 CarbonylContact C-O 3.6Å; W289-S304 WeakPolarHBondContact CA-O 3.36Å; W289-V305 HydrophobicContact CD2-CG2 4.08Å; W289-V305 HydrophobicContact CE3-CG2 3.58Å; W289-V305 HydrophobicContact CH2-CG2 3.51Å; W289-V305 HydrophobicContact CZ2-CG2 3.99Å; W289-V305 HydrophobicContact CZ3-CG2 3.3Å |
| 290 | N | 87.5 | Confident | 70.8 | Confident | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.2 | 163.2 | -163.4 | -8.4 | 0 | 0 | 0 | 109.2 | N292 P303 S304 L306 | N290-N292 WeakPolarHBondContact OD1-CB 3.42Å; N290-N292 PolarHBondContact OD1-N 2.84Å; N290-P303 WeakPolarHBondContact O-CB 3.2Å; N290-S304 PolarHBondContact N-O 2.57Å; N290-L306 HydrophobicContact CB-CD1 3.85Å; N290-L306 HydrophobicContact CB-CD2 3.97Å; N290-L306 HydrophobicContact CB-CG 3.81Å |
| 291 | L | 84 | Confident | 69.4 | Low | 10 Ų | 10 | 66.6 Ų | 66.6 | 5% | 0.052 | 40% | 0.399 | C | S | . | . | trans | -89.4 | -5.8 | 177 | -63.9 | 166.6 | 0 | 0 | 0 | 112.1 | I239 R250 F252 W264 W268 N274 L276 S293 P303 | I239-L291 HydrophobicContact CD1-CD1 3.59Å; I239-L291 HydrophobicContact CD1-CD2 3.59Å; I239-L291 HydrophobicContact CD1-CG 4.24Å; R250-L291 PolarHBondContact NH1-O 3.03Å; R250-L291 PolarHBondContact NH2-O 3.35Å; F252-L291 HydrophobicContact CE1-CD2 4.13Å; F252-L291 HydrophobicContact CZ-CD2 4.3Å; W264-L291 HydrophobicContact CE3-CD1 4.41Å; W264-L291 HydrophobicContact CH2-CD1 4.32Å; W264-L291 HydrophobicContact CZ3-CD1 3.57Å; W268-L291 HydrophobicContact CH2-CB 4.05Å; W268-L291 HydrophobicContact CH2-CD1 3.67Å; W268-L291 HydrophobicContact CH2-CG 4.47Å; W268-L291 HydrophobicContact CZ3-CD1 3.9Å; N274-L291 HydrophobicContact CB-CB 4.23Å; N274-L291 WeakPolarHBondContact O-CB 3.4Å; N274-L291 PolarHBondContact O-N 2.91Å; L276-L291 HydrophobicContact CB-CD1 3.78Å; L276-L291 HydrophobicContact CD2-CD1 4.28Å; L291-S293 PolarHBondContact O-N 2.85Å; L291-P303 HydrophobicContact CD2-CB 3.81Å; L291-P303 HydrophobicContact CD2-CG 3.87Å | ||
| 292 | N | 73.7 | Confident | 68.6 | Low | 41 Ų | 41 | 69.5 Ų | 69.5 | 22% | 0.219 | 42% | 0.418 | C | S | . | . | trans | -75.1 | 120 | 165 | -76.6 | -8.7 | 0 | 0 | 0 | 111.3 | M270 T271 N274 N290 | M270-N292 PolarHBondContact O-ND2 2.96Å; M270-N292 PolarHBondContact O-OD1 2.9Å; M270-N292 VanDerWaalsContact O-OD1 3.13Å; T271-N292 PolarHBondContact O-ND2 2.8Å; N274-N292 HydrophobicContact CB-CB 4.48Å; N274-N292 WeakPolarHBondContact CB-OD1 3.25Å; N274-N292 PolarHBondContact ND2-OD1 2.95Å; N290-N292 WeakPolarHBondContact OD1-CB 3.42Å; N290-N292 PolarHBondContact OD1-N 2.84Å | ||
| 293 | S | 56.8 | Low | 68.2 | Low | 46 Ų | 46 | 61.7 Ų | 61.7 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | trans | -94.5 | 119.6 | 168.2 | -56.3 | 0 | 0 | 0 | 0 | 107.1 | R250 L291 S295 | R250-S293 PolarHBondContact NH2-OG 3Å; L291-S293 PolarHBondContact O-N 2.85Å; S293-S295 PolarHBondContact O-N 3.5Å | ||
| 294 | P | 46.4 | Very low | 68 | Low | 143 Ų | 143 | 63.7 Ų | 63.7 | 93% | 0.929 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -77.3 | 33.5 | -171.8 | 32.2 | -37.1 | 0 | 0 | 0 | 114.1 | ||
| 295 | S | 38.7 | Very low | 67.9 | Low | 70 Ų | 70 | 62.1 Ų | 62.1 | 49% | 0.49 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -157.4 | 146.7 | 170.4 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | S293 Q297 | S293-S295 PolarHBondContact O-N 3.5Å; S295-Q297 PolarHBondContact O-N 3.04Å |
| 296 | G | 38.5 | Very low | 67.6 | Low | 68 Ų | 68 | 63.7 Ų | 63.7 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | trans | -69.8 | 11.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S298 | G296-S298 PolarHBondContact O-N 3.15Å; G296-S298 VanDerWaalsContact O-N 3.12Å | ||
| 297 | Q | 38.9 | Very low | 67.3 | Low | 169 Ų | 169 | 67.3 Ų | 67.3 | 79% | 0.79 | 42% | 0.424 | S | S | * | . | trans | -76 | 108.4 | -171.5 | -70 | -173.9 | -8.4 | 0 | 0 | 111.8 | S295 | S295-Q297 PolarHBondContact O-N 3.04Š| ||
| 298 | S | 37.6 | Very low | 67.2 | Low | 108 Ų | 108 | 67.7 Ų | 67.7 | 76% | 0.755 | 43% | 0.43 | S | S | * | . | trans | -45.5 | 131.1 | -175.8 | -168.9 | 0 | 0 | 0 | 0 | 115.4 | G296 | G296-S298 PolarHBondContact O-N 3.15Å; G296-S298 VanDerWaalsContact O-N 3.12Å | ||
| 299 | S | 40.4 | Very low | 67 | Low | 101 Ų | 101 | 67.7 Ų | 67.7 | 71% | 0.706 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 41.6 | 111.6 | 160.3 | 66.5 | 0 | 0 | 0 | 0 | 119.4 | ||
| 300 | V | 50.5 | Low | 66.7 | Low | 144 Ų | 144 | 75 Ų | 75 | 87% | 0.873 | 46% | 0.458 | S | S | * | . | trans | 149.5 | -23.7 | 142.5 | 160.1 | 0 | 0 | 0 | 0 | 111.7 | C302 | V300-C302 PolarHBondContact O-N 2.93Š| ||
| 301 | A | 57.5 | Low | 66.6 | Low | 76 Ų | 76 | 74.4 Ų | 74.4 | 63% | 0.628 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 133.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 302 | C | 68.9 | Low | 66.4 | Low | 80 Ų | 80 | 75 Ų | 75 | 54% | 0.541 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 137.4 | 170.3 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | V300 | V300-C302 PolarHBondContact O-N 2.93Š|
| 303 | P | 79.8 | Confident | 66.9 | Low | 8 Ų | 8 | 74 Ų | 74 | 5% | 0.052 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 150.7 | 171 | 26.4 | -33.7 | 0 | 0 | 0 | 111.7 | F252 W289 N290 L291 | F252-P303 HydrophobicContact CD1-CG 3.72Å; F252-P303 HydrophobicContact CD2-CG 3.74Å; F252-P303 HydrophobicContact CE1-CG 3.63Å; F252-P303 HydrophobicContact CE2-CG 3.65Å; F252-P303 HydrophobicContact CG-CG 3.78Å; F252-P303 HydrophobicContact CZ-CG 3.58Å; W289-P303 HydrophobicContact CE3-CB 4.41Å; W289-P303 HydrophobicContact CE3-CG 4Å; N290-P303 WeakPolarHBondContact O-CB 3.2Å; L291-P303 HydrophobicContact CD2-CB 3.81Å; L291-P303 HydrophobicContact CD2-CG 3.87Å |
| 304 | S | 80.8 | Confident | 68.4 | Low | 64 Ų | 64 | 71.8 Ų | 71.8 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 148 | 175.5 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | W289 N290 | W289-S304 CarbonylContact C-O 3.6Å; W289-S304 WeakPolarHBondContact CA-O 3.36Å; N290-S304 PolarHBondContact N-O 2.57Å |
| 305 | V | 85.2 | Confident | 70.5 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 35% | 0.345 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.4 | 166.2 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | K287 V288 W289 Y307 T308 | K287-V305 HydrophobicContact CB-CG1 4.27Å; K287-V305 HydrophobicContact CD-CG2 4.26Å; K287-V305 HydrophobicContact CG-CG1 4.39Å; V288-V305 CarbonylContact O-C 3.6Å; V288-V305 WeakPolarHBondContact O-CA 3.32Å; W289-V305 HydrophobicContact CD2-CG2 4.08Å; W289-V305 HydrophobicContact CE3-CG2 3.58Å; W289-V305 HydrophobicContact CH2-CG2 3.51Å; W289-V305 HydrophobicContact CZ2-CG2 3.99Å; W289-V305 HydrophobicContact CZ3-CG2 3.3Å; V305-Y307 WeakPolarHBondContact CG1-O 3.35Å; V305-T308 WeakPolarHBondContact CG1-OG1 3.04Å |
| 306 | L | 84.4 | Confident | 73.1 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -49.5 | 173.2 | -64.7 | 176 | 0 | 0 | 0 | 111 | W275 V288 N290 | W275-L306 HydrophobicContact CD2-CD1 3.93Å; W275-L306 HydrophobicContact CG-CD1 4.09Å; W275-L306 HydrophobicContact CZ2-CD1 3.84Å; V288-L306 PolarHBondContact O-N 3.26Å; N290-L306 HydrophobicContact CB-CD1 3.85Å; N290-L306 HydrophobicContact CB-CD2 3.97Å; N290-L306 HydrophobicContact CB-CG 3.81Å |
| 307 | Y | 88.2 | Confident | 75.8 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.4 | -175.7 | -57 | -81.8 | 0 | 0 | 0 | 110.8 | W275 K287 V288 V305 L344 | W275-Y307 AromaticContact CH2-CE2 3.81Å; W275-Y307 HydrophobicContact CH2-CE2 3.81Å; W275-Y307 HydrophobicContact CZ2-CE2 4.37Å; W275-Y307 HydrophobicContact CZ3-CE2 4.08Å; K287-Y307 WeakPolarHBondContact CA-O 3.47Å; V288-Y307 HydrophobicContact CB-CD2 4.21Å; V288-Y307 HydrophobicContact CG1-CD2 4.29Å; V288-Y307 PolarHBondContact N-O 3.22Å; V305-Y307 WeakPolarHBondContact CG1-O 3.35Å; Y307-L344 HydrophobicContact CD1-CB 3.92Å; Y307-L344 WeakPolarHBondContact CD1-O 3.08Å; Y307-L344 HydrophobicContact CD2-CB 4.1Å; Y307-L344 HydrophobicContact CD2-CD1 3.93Å; Y307-L344 HydrophobicContact CD2-CG 4.45Å; Y307-L344 HydrophobicContact CE1-CB 4.19Å; Y307-L344 WeakPolarHBondContact CE1-O 3.44Å; Y307-L344 HydrophobicContact CE2-CB 4.36Å; Y307-L344 HydrophobicContact CE2-CD1 4.41Å; Y307-L344 HydrophobicContact CG-CB 3.88Å; Y307-L344 HydrophobicContact CG-CD1 4.32Å; Y307-L344 HydrophobicContact CG-CD2 4.23Å; Y307-L344 HydrophobicContact CG-CG 4.37Å |
| 308 | T | 89.9 | Confident | 78.5 | Confident | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 106.7 | 172.3 | -63.6 | 0 | 0 | 0 | 0 | 109.1 | L285 I286 K287 V305 | L285-T308 HydrophobicContact CD1-CG2 4.34Å; L285-T308 HydrophobicContact CD2-CG2 3.74Å; L285-T308 HydrophobicContact CG-CG2 4.41Å; I286-T308 CarbonylContact O-C 3.54Å; I286-T308 WeakPolarHBondContact O-CA 3.25Å; K287-T308 HydrophobicContact CG-CG2 4.47Å; V305-T308 WeakPolarHBondContact CG1-OG1 3.04Å |
| 309 | V | 88.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 136.4 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | L285 I286 W342 L344 P347 | L285-V309 WeakPolarHBondContact CA-O 3.47Å; I286-V309 HydrophobicContact CB-CB 4.2Å; I286-V309 PolarHBondContact N-O 2.71Å; I286-V309 PolarHBondContact O-N 2.79Å; V309-W342 HydrophobicContact CG1-CD2 3.5Å; V309-W342 VanDerWaalsContact CG1-CD2 3.5Å; V309-W342 HydrophobicContact CG1-CE3 3.45Å; V309-W342 VanDerWaalsContact CG1-CE3 3.45Å; V309-W342 HydrophobicContact CG1-CG 4.08Å; V309-W342 HydrophobicContact CG1-CH2 4.12Å; V309-W342 HydrophobicContact CG1-CZ2 4.18Å; V309-W342 HydrophobicContact CG1-CZ3 3.75Å; V309-L344 HydrophobicContact CG2-CD2 3.68Å; V309-P347 HydrophobicContact CG2-CB 3.86Å |
| 310 | R | 85 | Confident | 83.6 | Confident | 162 Ų | 162 | 46.8 Ų | 46.8 | 61% | 0.611 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.8 | 171.3 | -73.5 | -177.2 | 176.2 | 84.8 | -7.1 | 109.6 | H284 L285 | H284-R310 WeakPolarHBondContact O-CA 3.39Å; L285-R310 HydrophobicContact CD2-CG 3.89Å |
| 311 | T | 84.2 | Confident | 85.3 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 13% | 0.129 | 23% | 0.226 | C | C | . | . | trans | -151.2 | -173.8 | -176.3 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | H284 I286 V314 W342 | H284-T311 WeakPolarHBondContact CA-O 3.47Å; H284-T311 VanDerWaalsContact CB-O 3.26Å; H284-T311 WeakPolarHBondContact CB-O 3.44Å; H284-T311 PolarHBondContact ND1-O 3.09Å; H284-T311 PolarHBondContact O-N 2.98Å; I286-T311 HydrophobicContact CD1-CG2 4.1Å; I286-T311 HydrophobicContact CG1-CG2 3.99Å; T311-V314 HydrophobicContact CG2-CG2 3.46Å; T311-V314 VanDerWaalsContact CG2-CG2 3.46Å; T311-W342 WeakPolarHBondContact OG1-CZ2 3.49Å | ||
| 312 | S | 81.5 | Confident | 86.6 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -73.3 | -161.1 | 174.5 | 84.5 | 0 | 0 | 0 | 0 | 110.9 | V314 C331 D336 | S312-V314 PolarHBondContact O-N 3.13Å; S312-C331 WeakPolarHBondContact OG-CB 3.25Å; S312-C331 PolarHBondContact OG-SG 3.37Å; S312-D336 WeakPolarHBondContact CB-OD2 3.19Å; S312-D336 PolarHBondContact OG-OD2 2.95Å |
| 313 | N | 82.8 | Confident | 87.4 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | trans | -72 | 128.8 | 175 | -72.5 | -13.7 | 0 | 0 | 0 | 109 | A281 R282 H284 C331 N332 L333 | A281-N313 VanDerWaalsContact O-CB 3.31Å; A281-N313 WeakPolarHBondContact O-CB 3.3Å; A281-N313 VanDerWaalsContact O-CG 3.25Å; R282-N313 WeakPolarHBondContact CA-OD1 3.26Å; H284-N313 PolarHBondContact CE1-OD1 3.21Å; N313-C331 CarbonylContact O-C 3.54Å; N313-C331 WeakPolarHBondContact O-CA 3.46Å; N313-N332 HydrophobicContact CB-CB 3.96Å; N313-N332 WeakPolarHBondContact O-CA 3.36Å; N313-N332 WeakPolarHBondContact O-CB 3.42Å; N313-N332 PolarHBondContact O-N 3.1Å; N313-L333 HydrophobicContact CB-CD1 4.02Å; N313-L333 HydrophobicContact CB-CG 3.98Å | ||
| 314 | V | 89 | Confident | 87.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.1 | -176.8 | -172 | 0 | 0 | 0 | 0 | 111.3 | A260 A279 I286 T311 S312 R316 V317 S330 N332 | A260-V314 WeakPolarHBondContact CB-O 3.39Å; A279-V314 HydrophobicContact CB-CB 3.76Å; A279-V314 HydrophobicContact CB-CG1 3.73Å; A279-V314 HydrophobicContact CB-CG2 4.13Å; I286-V314 HydrophobicContact CD1-CG2 4.36Å; I286-V314 HydrophobicContact CG1-CG2 3.96Å; T311-V314 HydrophobicContact CG2-CG2 3.46Å; T311-V314 VanDerWaalsContact CG2-CG2 3.46Å; S312-V314 PolarHBondContact O-N 3.13Å; V314-R316 WeakPolarHBondContact CG1-O 3.31Å; V314-V317 HydrophobicContact CG1-CG2 3.63Å; V314-S330 WeakPolarHBondContact CA-O 3.41Å; V314-N332 PolarHBondContact O-ND2 3.15Å |
| 315 | N | 90.2 | Very high | 87.8 | Confident | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -40.4 | 173.7 | -170 | 43.7 | 0 | 0 | 0 | 113 | S330 N332 V361 T362 | N315-S330 PolarHBondContact N-O 3.21Å; N315-N332 WeakPolarHBondContact CA-ND2 3.38Å; N315-N332 HydrophobicContact CB-CB 3.82Å; N315-N332 WeakPolarHBondContact CB-ND2 3.22Å; N315-N332 PolarHBondContact OD1-ND2 3.4Å; N315-V361 PolarHBondContact ND2-O 2.8Å; N315-T362 PolarHBondContact ND2-O 3.49Å |
| 316 | R | 93.1 | Very high | 88.1 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.7 | 177.7 | -71.4 | -65.3 | -177.8 | -92.7 | 9.2 | 110.3 | V314 S329 S330 I364 | V314-R316 WeakPolarHBondContact CG1-O 3.31Å; R316-S329 VanDerWaalsContact O-CA 3.27Å; R316-S329 WeakPolarHBondContact O-CA 3.43Å; R316-S330 PolarHBondContact O-N 3.33Å; R316-I364 HydrophobicContact CB-CD1 3.86Å; R316-I364 HydrophobicContact CB-CG1 3.9Å |
| 317 | V | 94.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.1 | 166.8 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | T261 A277 A279 I286 V314 L327 V328 | T261-V317 HydrophobicContact CG2-CB 4.05Å; T261-V317 HydrophobicContact CG2-CG2 3.99Å; A277-V317 HydrophobicContact CB-CG1 4.23Å; A279-V317 HydrophobicContact CB-CG2 3.65Å; I286-V317 HydrophobicContact CD1-CG2 3.94Å; I286-V317 HydrophobicContact CG1-CG2 4.2Å; I286-V317 HydrophobicContact CG2-CG1 4.47Å; I286-V317 HydrophobicContact CG2-CG2 4.21Å; V314-V317 HydrophobicContact CG1-CG2 3.63Å; V317-L327 HydrophobicContact CG1-CB 4.32Å; V317-L327 HydrophobicContact CG1-CD1 4.02Å; V317-L327 HydrophobicContact CG1-CD2 4.37Å; V317-L327 HydrophobicContact CG1-CG 4.48Å; V317-V328 CarbonylContact C-O 3.59Å; V317-V328 VanDerWaalsContact CA-O 3.25Å; V317-V328 WeakPolarHBondContact CA-O 3.15Å |
| 318 | R | 95.2 | Very high | 88.8 | Confident | 51 Ų | 51 | 33.9 Ų | 33.9 | 19% | 0.192 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.9 | 167 | -67.6 | -63.8 | -171.1 | -174.3 | -2.5 | 110.9 | D263 L327 V328 W366 | D263-R318 WeakPolarHBondContact OD1-CD 3.36Å; D263-R318 IonicContact OD1-CZ 2.76Å; D263-R318 IonicContact OD1-NE 3.93Å; D263-R318 IonicContact OD1-NH1 3.55Å; D263-R318 PolarHBondContact OD1-NH1 2.98Å; D263-R318 VanDerWaalsContact OD2-CA 3.25Å; D263-R318 WeakPolarHBondContact OD2-CA 3.25Å; R318-L327 CarbonylContact O-C 3.57Å; R318-L327 WeakPolarHBondContact O-CA 3.49Å; R318-V328 HydrophobicContact CB-CG1 4.03Å; R318-V328 PolarHBondContact N-O 3.04Å; R318-V328 PolarHBondContact O-N 3.05Å; R318-W366 PolarHBondContact O-NE1 3.31Å |
| 319 | W | 94 | Very high | 89 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 2% | 0.023 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 141.1 | 169 | -71 | 100 | 0 | 0 | 0 | 110.9 | D263 H265 P266 W275 A277 V288 L327 L344 W366 | D263-W319 PolarHBondContact O-NE1 3.32Å; D263-W319 PolarHBondContact OD2-N 3.48Å; H265-W319 HydrophobicContact CB-CD2 4.49Å; H265-W319 AromaticContact CD2-CD2 3.62Å; H265-W319 AromaticContact CD2-CE2 3.91Å; H265-W319 AromaticContact CD2-CE3 3.43Å; H265-W319 VanDerWaalsContact CD2-CE3 3.43Å; H265-W319 AromaticContact CD2-CH2 3.84Å; H265-W319 AromaticContact CD2-CZ3 3.55Å; H265-W319 AromaticContact NE2-CE3 3.88Å; P266-W319 HydrophobicContact CG-CB 4.39Å; W275-W319 HydrophobicContact CB-CZ2 4.4Å; W275-W319 AromaticContact CE3-CH2 3.79Å; W275-W319 HydrophobicContact CE3-CH2 3.79Å; W275-W319 HydrophobicContact CE3-CZ3 4.33Å; W275-W319 HydrophobicContact CZ3-CH2 4.42Å; A277-W319 HydrophobicContact CB-CZ2 3.81Å; V288-W319 HydrophobicContact CB-CH2 4.44Å; V288-W319 HydrophobicContact CG1-CH2 3.81Å; V288-W319 HydrophobicContact CG1-CZ2 3.88Å; V288-W319 HydrophobicContact CG2-CH2 3.71Å; V288-W319 HydrophobicContact CG2-CZ2 3.88Å; W319-L327 HydrophobicContact CE3-CB 4.22Å; W319-L327 HydrophobicContact CH2-CD2 4.45Å; W319-L327 HydrophobicContact CZ3-CD2 4.36Å; W319-L344 HydrophobicContact CH2-CD1 3.54Å; W319-L344 HydrophobicContact CZ3-CD1 3.56Å; W319-W366 PolarHBondContact O-NE1 3.15Å |
| 320 | R | 92.2 | Very high | 89.1 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 129.1 | 171.1 | -170.3 | 171.2 | -176.6 | -161 | -4.7 | 108.8 | F323 Q326 W366 A371 N372 | R320-F323 HydrophobicContact CB-CB 4.3Å; R320-F323 HydrophobicContact CG-CB 4.26Å; R320-F323 HydrophobicContact CG-CD2 3.85Å; R320-F323 HydrophobicContact CG-CG 4.36Å; R320-Q326 HydrophobicContact CB-CB 4.09Å; R320-Q326 WeakPolarHBondContact CB-O 3.43Å; R320-Q326 PolarHBondContact N-O 3.45Å; R320-W366 HydrophobicContact CB-CH2 4.01Å; R320-W366 HydrophobicContact CB-CZ2 3.63Å; R320-W366 HydrophobicContact CG-CD2 4.41Å; R320-W366 HydrophobicContact CG-CE3 4.2Å; R320-W366 HydrophobicContact CG-CH2 3.53Å; R320-W366 HydrophobicContact CG-CZ2 3.68Å; R320-W366 HydrophobicContact CG-CZ3 3.79Å; R320-A371 PolarHBondContact NE-O 3.19Å; R320-A371 PolarHBondContact NH2-O 2.82Å; R320-A371 VanDerWaalsContact NH2-O 3.12Å; R320-N372 PolarHBondContact NH2-OD1 3.21Å |
| 321 | P | 87.1 | Confident | 89.1 | Confident | 34 Ų | 34 | 23.9 Ų | 23.9 | 22% | 0.221 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -54 | 153.4 | 168.1 | -25 | 34.8 | 0 | 0 | 0 | 111.1 | F323 W366 A371 | P321-F323 WeakPolarHBondContact O-CD2 3.4Å; P321-F323 PolarHBondContact O-N 3.19Å; P321-W366 VanDerWaalsContact CD-CG 3.45Å; P321-W366 HydrophobicContact CG-CB 3.89Å; P321-W366 HydrophobicContact CG-CG 4.16Å; P321-A371 HydrophobicContact CB-CB 4.39Å |
| 322 | T | 83.3 | Confident | 88.9 | Confident | 94 Ų | 94 | 25.1 Ų | 25.1 | 58% | 0.577 | 13% | 0.13 | S | C | * | . | S | Bend | trans | 60.5 | -44.3 | -176.3 | 75 | 0 | 0 | 0 | 0 | 116.8 | N267 A371 | N267-T322 PolarHBondContact ND2-O 2.97Å; T322-A371 HydrophobicContact CG2-CB 4.22Å |
| 323 | F | 86.1 | Confident | 88.4 | Confident | 60 Ų | 60 | 26.9 Ų | 26.9 | 26% | 0.263 | 14% | 0.137 | S | C | . | . | trans | -77.2 | 120.5 | -175.2 | -69.3 | -96.6 | 0 | 0 | 0 | 113.1 | R320 P321 T325 Q326 A371 | R320-F323 HydrophobicContact CB-CB 4.3Å; R320-F323 HydrophobicContact CG-CB 4.26Å; R320-F323 HydrophobicContact CG-CD2 3.85Å; R320-F323 HydrophobicContact CG-CG 4.36Å; P321-F323 WeakPolarHBondContact O-CD2 3.4Å; P321-F323 PolarHBondContact O-N 3.19Å; F323-T325 PolarHBondContact O-N 3.46Å; F323-Q326 HydrophobicContact CB-CB 4.02Å; F323-Q326 HydrophobicContact CB-CG 4.36Å; F323-A371 HydrophobicContact CE2-CB 4.36Å | ||
| 324 | M | 83.9 | Confident | 87.5 | Confident | 81 Ų | 81 | 31.5 Ų | 31.5 | 40% | 0.399 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -40.3 | -175.8 | -173.1 | 65.8 | 84.8 | 0 | 0 | 113.9 | H265 C273 W275 | H265-M324 PolarHBondContact CE1-SD 2.94Å; H265-M324 PolarHBondContact NE2-O 3.18Å; C273-M324 HydrophobicContact CB-CE 4.45Å; C273-M324 HydrophobicContact CB-SD 4.48Å; C273-M324 VanDerWaalsContact SG-SD 3.61Å; W275-M324 HydrophobicContact CH2-CG 4.32Å; W275-M324 HydrophobicContact CZ3-CG 4.29Å; W275-M324 HydrophobicContact CZ3-SD 4.46Å |
| 325 | T | 86 | Confident | 86.8 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 14% | 0.141 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 7 | -170.8 | 58 | 0 | 0 | 0 | 0 | 114.5 | F323 D343 L344 Q345 | F323-T325 PolarHBondContact O-N 3.46Å; T325-D343 VanDerWaalsContact CB-OD1 3.27Å; T325-D343 WeakPolarHBondContact CB-OD1 3.42Å; T325-D343 PolarHBondContact OG1-OD1 2.85Å; T325-D343 PolarHBondContact OG1-OD2 2.86Å; T325-L344 WeakPolarHBondContact O-CB 3.44Å; T325-L344 VanDerWaalsContact O-CG 3.22Å; T325-L344 WeakPolarHBondContact O-CG 3.26Å; T325-L344 PolarHBondContact O-N 3.17Å; T325-Q345 HydrophobicContact CG2-CG 4.1Å |
| 326 | Q | 91.1 | Very high | 86.3 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.2 | -170.9 | -64.3 | -171.3 | -1.6 | 0 | 0 | 114.4 | R320 F323 W342 D343 | R320-Q326 HydrophobicContact CB-CB 4.09Å; R320-Q326 WeakPolarHBondContact CB-O 3.43Å; R320-Q326 PolarHBondContact N-O 3.45Å; F323-Q326 HydrophobicContact CB-CB 4.02Å; F323-Q326 HydrophobicContact CB-CG 4.36Å; Q326-W342 VanDerWaalsContact CA-O 3.3Å; Q326-W342 WeakPolarHBondContact CA-O 3.33Å; Q326-D343 HydrophobicContact CG-CB 4.31Å; Q326-D343 PolarHBondContact NE2-OD2 2.98Å |
| 327 | L | 93.6 | Very high | 86 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151 | 175.7 | 60.7 | 84 | 0 | 0 | 0 | 111 | I286 V288 V317 R318 W319 I341 W342 L344 | I286-L327 HydrophobicContact CD1-CD1 3.9Å; I286-L327 HydrophobicContact CG2-CD2 4.34Å; V288-L327 HydrophobicContact CG2-CD2 4.39Å; V317-L327 HydrophobicContact CG1-CB 4.32Å; V317-L327 HydrophobicContact CG1-CD1 4.02Å; V317-L327 HydrophobicContact CG1-CD2 4.37Å; V317-L327 HydrophobicContact CG1-CG 4.48Å; R318-L327 CarbonylContact O-C 3.57Å; R318-L327 WeakPolarHBondContact O-CA 3.49Å; W319-L327 HydrophobicContact CE3-CB 4.22Å; W319-L327 HydrophobicContact CH2-CD2 4.45Å; W319-L327 HydrophobicContact CZ3-CD2 4.36Å; L327-I341 CarbonylContact O-C 3.48Å; L327-I341 WeakPolarHBondContact O-CA 3.38Å; L327-W342 HydrophobicContact CD1-CB 4.09Å; L327-W342 HydrophobicContact CD1-CG 4.23Å; L327-W342 HydrophobicContact CG-CB 4.46Å; L327-W342 PolarHBondContact N-O 2.81Å; L327-W342 VanDerWaalsContact N-O 3.16Å; L327-W342 PolarHBondContact O-N 2.92Å; L327-L344 HydrophobicContact CD2-CD1 4.42Å; L327-L344 HydrophobicContact CD2-CD2 4.05Å; L327-L344 HydrophobicContact CD2-CG 4.47Å |
| 328 | V | 93.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 143.1 | 171.9 | 67 | 0 | 0 | 0 | 0 | 110.1 | V317 R318 V339 H340 I341 I364 W366 F374 | V317-V328 CarbonylContact C-O 3.59Å; V317-V328 VanDerWaalsContact CA-O 3.25Å; V317-V328 WeakPolarHBondContact CA-O 3.15Å; R318-V328 HydrophobicContact CB-CG1 4.03Å; R318-V328 PolarHBondContact N-O 3.04Å; R318-V328 PolarHBondContact O-N 3.05Å; V328-V339 HydrophobicContact CG2-CG1 3.39Å; V328-H340 CarbonylContact C-O 3.29Å; V328-H340 WeakPolarHBondContact CA-O 3.44Å; V328-I341 HydrophobicContact CB-CG1 4.18Å; V328-I341 HydrophobicContact CG2-CG1 4Å; V328-I364 HydrophobicContact CG1-CD1 4.35Å; V328-I364 HydrophobicContact CG1-CG2 3.82Å; V328-I364 HydrophobicContact CG2-CD1 4.36Å; V328-W366 HydrophobicContact CB-CZ2 3.81Å; V328-W366 HydrophobicContact CG1-CZ2 3.78Å; V328-F374 HydrophobicContact CG2-CD2 4.48Å; V328-F374 HydrophobicContact CG2-CE2 4.08Å; V328-F374 HydrophobicContact CG2-CZ 4.39Å |
| 329 | S | 93.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.2 | 176.6 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | R316 V339 H340 W342 | R316-S329 VanDerWaalsContact O-CA 3.27Å; R316-S329 WeakPolarHBondContact O-CA 3.43Å; S329-V339 WeakPolarHBondContact O-CA 3.42Å; S329-H340 PolarHBondContact N-O 3.01Å; S329-H340 PolarHBondContact O-N 3.07Å; S329-W342 PolarHBondContact OG-NE1 2.78Å |
| 330 | S | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145 | 169.8 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | V314 N315 R316 V361 | V314-S330 WeakPolarHBondContact CA-O 3.41Å; N315-S330 PolarHBondContact N-O 3.21Å; R316-S330 PolarHBondContact O-N 3.33Å; S330-V361 PolarHBondContact OG-O 2.83Å |
| 331 | C | 84.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 154.8 | -177.6 | -60 | 0 | 0 | 0 | 0 | 112.6 | S312 N313 D336 S338 | S312-C331 WeakPolarHBondContact OG-CB 3.25Å; S312-C331 PolarHBondContact OG-SG 3.37Å; N313-C331 CarbonylContact O-C 3.54Å; N313-C331 WeakPolarHBondContact O-CA 3.46Å; C331-D336 HydrophobicContact CB-CB 4.3Å; C331-D336 WeakPolarHBondContact CB-O 3.43Å; C331-D336 WeakPolarHBondContact CB-OD2 3.28Å; C331-D336 VanDerWaalsContact SG-CG 3.57Å; C331-D336 PolarHBondContact SG-OD2 2.96Å; C331-S338 PolarHBondContact N-O 3.08Å; C331-S338 VanDerWaalsContact N-O 3.15Å |
| 332 | N | 79.5 | Confident | 86.1 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | trans | -128.4 | 30.6 | -166.1 | -151.8 | -10 | 0 | 0 | 0 | 112.1 | N313 V314 N315 | N313-N332 HydrophobicContact CB-CB 3.96Å; N313-N332 WeakPolarHBondContact O-CA 3.36Å; N313-N332 WeakPolarHBondContact O-CB 3.42Å; N313-N332 PolarHBondContact O-N 3.1Å; V314-N332 PolarHBondContact O-ND2 3.15Å; N315-N332 WeakPolarHBondContact CA-ND2 3.38Å; N315-N332 HydrophobicContact CB-CB 3.82Å; N315-N332 WeakPolarHBondContact CB-ND2 3.22Å; N315-N332 PolarHBondContact OD1-ND2 3.4Å | ||
| 333 | L | 71 | Confident | 86.5 | Confident | 58 Ų | 58 | 33.1 Ų | 33.1 | 30% | 0.304 | 18% | 0.175 | S | C | . | . | B | Isolated β-bridge | trans | -129.9 | 140.8 | -179.1 | -80.7 | 164.1 | 0 | 0 | 0 | 109.9 | N313 I335 D336 L337 | N313-L333 HydrophobicContact CB-CD1 4.02Å; N313-L333 HydrophobicContact CB-CG 3.98Å; L333-I335 PolarHBondContact O-N 2.95Å; L333-D336 CarbonylContact O-C 3.58Å; L333-D336 VanDerWaalsContact O-C 3.28Å; L333-D336 PolarHBondContact O-N 3.27Å; L333-L337 WeakPolarHBondContact O-CD2 3.41Å |
| 334 | T | 65.2 | Low | 86.7 | Confident | 116 Ų | 116 | 30.4 Ų | 30.4 | 71% | 0.712 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 12.4 | 176.1 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 335 | I | 72.6 | Confident | 86.8 | Confident | 151 Ų | 151 | 33.2 Ų | 33.2 | 77% | 0.774 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -25.1 | 178 | -55.1 | 174.9 | 0 | 0 | 0 | 109.9 | L333 | L333-I335 PolarHBondContact O-N 2.95Š|
| 336 | D | 80.4 | Confident | 86.7 | Confident | 39 Ų | 39 | 40.2 Ų | 40.2 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -138.1 | 101.7 | -177.9 | 171.6 | 17.1 | 0 | 0 | 0 | 107.5 | S312 C331 L333 S338 | S312-D336 WeakPolarHBondContact CB-OD2 3.19Å; S312-D336 PolarHBondContact OG-OD2 2.95Å; C331-D336 HydrophobicContact CB-CB 4.3Å; C331-D336 WeakPolarHBondContact CB-O 3.43Å; C331-D336 WeakPolarHBondContact CB-OD2 3.28Å; C331-D336 VanDerWaalsContact SG-CG 3.57Å; C331-D336 PolarHBondContact SG-OD2 2.96Å; L333-D336 CarbonylContact O-C 3.58Å; L333-D336 VanDerWaalsContact O-C 3.28Å; L333-D336 PolarHBondContact O-N 3.27Å; D336-S338 WeakPolarHBondContact OD1-CB 3.33Å; D336-S338 PolarHBondContact OD1-N 3.22Å; D336-S338 VanDerWaalsContact OD1-N 3.16Å; D336-S338 PolarHBondContact OD1-OG 2.98Å |
| 337 | L | 87.3 | Confident | 86.3 | Confident | 37 Ų | 37 | 40.7 Ų | 40.7 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | trans | -104.4 | 8.3 | -177.9 | -57.9 | 176.3 | 0 | 0 | 0 | 111.5 | L333 K358 L360 V361 | L333-L337 WeakPolarHBondContact O-CD2 3.41Å; L337-K358 WeakPolarHBondContact CD1-O 3.31Å; L337-L360 HydrophobicContact CD2-CD2 3.98Å; L337-L360 HydrophobicContact CD2-CG 4.2Å; L337-V361 WeakPolarHBondContact O-CG2 3.25Å | ||
| 338 | S | 90 | Very high | 85.8 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | trans | -73.2 | 163.4 | -171.6 | 69.2 | 0 | 0 | 0 | 0 | 112.5 | C331 D336 H340 F354 | C331-S338 PolarHBondContact N-O 3.08Å; C331-S338 VanDerWaalsContact N-O 3.15Å; D336-S338 WeakPolarHBondContact OD1-CB 3.33Å; D336-S338 PolarHBondContact OD1-N 3.22Å; D336-S338 VanDerWaalsContact OD1-N 3.16Å; D336-S338 PolarHBondContact OD1-OG 2.98Å; S338-H340 PolarHBondContact OG-CE1 3.35Å; S338-H340 VanDerWaalsContact OG-CE1 3.25Å; S338-H340 PolarHBondContact OG-NE2 3.3Å; S338-F354 VanDerWaalsContact CA-O 3.26Å; S338-F354 WeakPolarHBondContact CA-O 3.32Å; S338-F354 WeakPolarHBondContact CB-O 3.43Å | ||
| 339 | V | 93.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125 | 168.1 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | V328 S329 S353 F354 V361 I364 F374 T376 | V328-V339 HydrophobicContact CG2-CG1 3.39Å; S329-V339 WeakPolarHBondContact O-CA 3.42Å; V339-S353 CarbonylContact O-C 3.57Å; V339-S353 WeakPolarHBondContact O-CA 3.48Å; V339-F354 HydrophobicContact CB-CB 4.38Å; V339-F354 PolarHBondContact N-O 3.06Å; V339-F354 PolarHBondContact O-N 3.47Å; V339-V361 HydrophobicContact CG2-CB 4.39Å; V339-V361 HydrophobicContact CG2-CG1 4.13Å; V339-V361 HydrophobicContact CG2-CG2 3.91Å; V339-I364 HydrophobicContact CG1-CD1 4.34Å; V339-F374 HydrophobicContact CG1-CE2 4Å; V339-F374 HydrophobicContact CG1-CZ 4.43Å; V339-T376 HydrophobicContact CG2-CG2 4.19Å |
| 340 | H | 93.7 | Very high | 85.3 | Confident | 26 Ų | 26 | 53 Ų | 53 | 12% | 0.12 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135 | -177.9 | -65.5 | -51 | 0 | 0 | 0 | 110.5 | V328 S329 S338 W342 P350 V352 S353 | V328-H340 CarbonylContact C-O 3.29Å; V328-H340 WeakPolarHBondContact CA-O 3.44Å; S329-H340 PolarHBondContact N-O 3.01Å; S329-H340 PolarHBondContact O-N 3.07Å; S338-H340 PolarHBondContact OG-CE1 3.35Å; S338-H340 VanDerWaalsContact OG-CE1 3.25Å; S338-H340 PolarHBondContact OG-NE2 3.3Å; H340-W342 HydrophobicContact CB-CZ2 3.99Å; H340-W342 AromaticContact CD2-CZ2 3.77Å; H340-P350 HydrophobicContact CB-CB 3.88Å; H340-V352 WeakPolarHBondContact CA-O 3.32Å; H340-S353 PolarHBondContact CE1-OG 3.19Å; H340-S353 PolarHBondContact ND1-OG 2.64Å |
| 341 | I | 94.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131 | 161.3 | -59.8 | 174.9 | 0 | 0 | 0 | 107.4 | L327 V328 P350 Y351 V352 F354 W366 F374 V388 | L327-I341 CarbonylContact O-C 3.48Å; L327-I341 WeakPolarHBondContact O-CA 3.38Å; V328-I341 HydrophobicContact CB-CG1 4.18Å; V328-I341 HydrophobicContact CG2-CG1 4Å; I341-P350 CarbonylContact O-C 3.53Å; I341-Y351 HydrophobicContact CG2-CD1 4.11Å; I341-Y351 PolarHBondContact O-N 2.73Å; I341-V352 HydrophobicContact CB-CB 4.36Å; I341-V352 HydrophobicContact CD1-CB 4.47Å; I341-V352 PolarHBondContact N-O 3.15Å; I341-V352 PolarHBondContact O-N 2.59Å; I341-F354 HydrophobicContact CD1-CE2 3.94Å; I341-F354 HydrophobicContact CG1-CE2 4.33Å; I341-W366 HydrophobicContact CD1-CH2 4.13Å; I341-F374 HydrophobicContact CD1-CE1 3.99Å; I341-V388 HydrophobicContact CD1-CB 4.43Å; I341-V388 HydrophobicContact CD1-CG1 4.16Å; I341-V388 HydrophobicContact CD1-CG2 3.7Å |
| 342 | W | 93.5 | Very high | 85.6 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 142 | 178.9 | -59.8 | 88.6 | 0 | 0 | 0 | 110 | V309 T311 Q326 L327 S329 H340 P350 | V309-W342 HydrophobicContact CG1-CD2 3.5Å; V309-W342 VanDerWaalsContact CG1-CD2 3.5Å; V309-W342 HydrophobicContact CG1-CE3 3.45Å; V309-W342 VanDerWaalsContact CG1-CE3 3.45Å; V309-W342 HydrophobicContact CG1-CG 4.08Å; V309-W342 HydrophobicContact CG1-CH2 4.12Å; V309-W342 HydrophobicContact CG1-CZ2 4.18Å; V309-W342 HydrophobicContact CG1-CZ3 3.75Å; T311-W342 WeakPolarHBondContact OG1-CZ2 3.49Å; Q326-W342 VanDerWaalsContact CA-O 3.3Å; Q326-W342 WeakPolarHBondContact CA-O 3.33Å; L327-W342 HydrophobicContact CD1-CB 4.09Å; L327-W342 HydrophobicContact CD1-CG 4.23Å; L327-W342 HydrophobicContact CG-CB 4.46Å; L327-W342 PolarHBondContact N-O 2.81Å; L327-W342 VanDerWaalsContact N-O 3.16Å; L327-W342 PolarHBondContact O-N 2.92Å; S329-W342 PolarHBondContact OG-NE1 2.78Å; H340-W342 HydrophobicContact CB-CZ2 3.99Å; H340-W342 AromaticContact CD2-CZ2 3.77Å; W342-P350 HydrophobicContact CD2-CB 4.08Å; W342-P350 HydrophobicContact CE3-CB 3.99Å; W342-P350 HydrophobicContact CH2-CB 4.02Å; W342-P350 HydrophobicContact CH2-CG 4.11Å; W342-P350 HydrophobicContact CZ2-CB 4.07Å; W342-P350 HydrophobicContact CZ2-CG 4.44Å; W342-P350 HydrophobicContact CZ3-CB 3.99Å; W342-P350 HydrophobicContact CZ3-CG 4.3Å |
| 343 | D | 91.5 | Very high | 86.3 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.1 | 159.5 | -158.7 | -45.1 | 0 | 0 | 0 | 108.7 | T325 Q326 Q345 R346 | T325-D343 VanDerWaalsContact CB-OD1 3.27Å; T325-D343 WeakPolarHBondContact CB-OD1 3.42Å; T325-D343 PolarHBondContact OG1-OD1 2.85Å; T325-D343 PolarHBondContact OG1-OD2 2.86Å; Q326-D343 HydrophobicContact CG-CB 4.31Å; Q326-D343 PolarHBondContact NE2-OD2 2.98Å; D343-Q345 PolarHBondContact O-N 2.98Å; D343-Q345 WeakPolarHBondContact OD1-CB 3.31Å; D343-Q345 WeakPolarHBondContact OD1-CG 3.04Å; D343-Q345 PolarHBondContact OD1-N 3.3Å; D343-R346 CarbonylContact O-C 3.43Å; D343-R346 VanDerWaalsContact O-C 3.26Å; D343-R346 PolarHBondContact O-N 2.55Å |
| 344 | L | 89.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.4 | -179.2 | -64.4 | 171.6 | 0 | 0 | 0 | 112.9 | V288 Y307 V309 W319 T325 L327 R346 | V288-L344 HydrophobicContact CG2-CD1 3.82Å; V288-L344 HydrophobicContact CG2-CD2 4.06Å; Y307-L344 HydrophobicContact CD1-CB 3.92Å; Y307-L344 WeakPolarHBondContact CD1-O 3.08Å; Y307-L344 HydrophobicContact CD2-CB 4.1Å; Y307-L344 HydrophobicContact CD2-CD1 3.93Å; Y307-L344 HydrophobicContact CD2-CG 4.45Å; Y307-L344 HydrophobicContact CE1-CB 4.19Å; Y307-L344 WeakPolarHBondContact CE1-O 3.44Å; Y307-L344 HydrophobicContact CE2-CB 4.36Å; Y307-L344 HydrophobicContact CE2-CD1 4.41Å; Y307-L344 HydrophobicContact CG-CB 3.88Å; Y307-L344 HydrophobicContact CG-CD1 4.32Å; Y307-L344 HydrophobicContact CG-CD2 4.23Å; Y307-L344 HydrophobicContact CG-CG 4.37Å; V309-L344 HydrophobicContact CG2-CD2 3.68Å; W319-L344 HydrophobicContact CH2-CD1 3.54Å; W319-L344 HydrophobicContact CZ3-CD1 3.56Å; T325-L344 WeakPolarHBondContact O-CB 3.44Å; T325-L344 VanDerWaalsContact O-CG 3.22Å; T325-L344 WeakPolarHBondContact O-CG 3.26Å; T325-L344 PolarHBondContact O-N 3.17Å; L327-L344 HydrophobicContact CD2-CD1 4.42Å; L327-L344 HydrophobicContact CD2-CD2 4.05Å; L327-L344 HydrophobicContact CD2-CG 4.47Å; L344-R346 VanDerWaalsContact C-N 3.26Å |
| 345 | Q | 86.4 | Confident | 88.5 | Confident | 141 Ų | 141 | 53.9 Ų | 53.9 | 66% | 0.659 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.8 | 167.8 | -59.6 | -172.9 | 10.9 | 0 | 0 | 112.8 | T325 D343 | T325-Q345 HydrophobicContact CG2-CG 4.1Å; D343-Q345 PolarHBondContact O-N 2.98Å; D343-Q345 WeakPolarHBondContact OD1-CB 3.31Å; D343-Q345 WeakPolarHBondContact OD1-CG 3.04Å; D343-Q345 PolarHBondContact OD1-N 3.3Å |
| 346 | R | 83.5 | Confident | 89.3 | Confident | 170 Ų | 170 | 48.6 Ų | 48.6 | 64% | 0.642 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -133.7 | 61.1 | -178.6 | -62.5 | -174.1 | -178.3 | -125.7 | -1.2 | 111.4 | D343 L344 F348 I349 | D343-R346 CarbonylContact O-C 3.43Å; D343-R346 VanDerWaalsContact O-C 3.26Å; D343-R346 PolarHBondContact O-N 2.55Å; L344-R346 VanDerWaalsContact C-N 3.26Å; R346-F348 PolarHBondContact O-N 3.19Å; R346-I349 PolarHBondContact O-N 2.99Å; R346-I349 VanDerWaalsContact O-O 3.12Å |
| 347 | P | 84.7 | Confident | 89.8 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 10.9 | -165.4 | 33.2 | -39.2 | 0 | 0 | 0 | 115.8 | V309 | V309-P347 HydrophobicContact CG2-CB 3.86Š|
| 348 | F | 82.8 | Confident | 89.8 | Confident | 158 Ų | 158 | 53.9 Ų | 53.9 | 69% | 0.693 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -17.9 | -177.4 | -54.6 | -68.8 | 0 | 0 | 0 | 113.6 | R346 | R346-F348 PolarHBondContact O-N 3.19Š|
| 349 | I | 85.1 | Confident | 89.8 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 42% | 0.415 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -134.6 | 126.3 | 178.9 | -55.9 | 178.1 | 0 | 0 | 0 | 107 | R346 | R346-I349 PolarHBondContact O-N 2.99Å; R346-I349 VanDerWaalsContact O-O 3.12Å |
| 350 | P | 90.4 | Very high | 89.6 | Confident | 20 Ų | 20 | 57 Ų | 57 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | trans | -65.4 | 142.7 | 175.9 | 26.6 | -31.4 | 0 | 0 | 0 | 110.3 | H340 I341 W342 P394 | H340-P350 HydrophobicContact CB-CB 3.88Å; I341-P350 CarbonylContact O-C 3.53Å; W342-P350 HydrophobicContact CD2-CB 4.08Å; W342-P350 HydrophobicContact CE3-CB 3.99Å; W342-P350 HydrophobicContact CH2-CB 4.02Å; W342-P350 HydrophobicContact CH2-CG 4.11Å; W342-P350 HydrophobicContact CZ2-CB 4.07Å; W342-P350 HydrophobicContact CZ2-CG 4.44Å; W342-P350 HydrophobicContact CZ3-CB 3.99Å; W342-P350 HydrophobicContact CZ3-CG 4.3Å; P350-P394 HydrophobicContact CG-CG 4.24Å; P350-P394 WeakPolarHBondContact O-CD 3.41Å | ||
| 351 | Y | 90.9 | Very high | 89.6 | Confident | 77 Ų | 77 | 55.7 Ų | 55.7 | 30% | 0.302 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -66 | -43.9 | 179.9 | 172.9 | -105.8 | 0 | 0 | 0 | 111.2 | I341 V388 R393 | I341-Y351 HydrophobicContact CG2-CD1 4.11Å; I341-Y351 PolarHBondContact O-N 2.73Å; Y351-V388 HydrophobicContact CE1-CG1 4.38Å; Y351-R393 VanDerWaalsContact CZ-NH1 3.3Å; Y351-R393 PolarHBondContact OH-NH1 2.95Å |
| 352 | V | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 145.8 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | H340 I341 F354 G391 V392 R393 | H340-V352 WeakPolarHBondContact CA-O 3.32Å; I341-V352 HydrophobicContact CB-CB 4.36Å; I341-V352 HydrophobicContact CD1-CB 4.47Å; I341-V352 PolarHBondContact N-O 3.15Å; I341-V352 PolarHBondContact O-N 2.59Å; V352-F354 HydrophobicContact CB-CE2 4.44Å; V352-F354 HydrophobicContact CG1-CD2 4.23Å; V352-F354 HydrophobicContact CG1-CE1 4.47Å; V352-F354 HydrophobicContact CG1-CE2 3.47Å; V352-F354 VanDerWaalsContact CG1-CE2 3.47Å; V352-F354 HydrophobicContact CG1-CZ 3.61Å; V352-G391 VanDerWaalsContact CG1-CA 3.48Å; V352-V392 CarbonylContact C-O 3.45Å; V352-V392 WeakPolarHBondContact CA-O 3.47Å; V352-R393 HydrophobicContact CG2-CG 4.04Å |
| 353 | S | 92.2 | Very high | 89.4 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.6 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | V339 H340 V392 P394 | V339-S353 CarbonylContact O-C 3.57Å; V339-S353 WeakPolarHBondContact O-CA 3.48Å; H340-S353 PolarHBondContact CE1-OG 3.19Å; H340-S353 PolarHBondContact ND1-OG 2.64Å; S353-V392 PolarHBondContact N-O 3.12Å; S353-V392 PolarHBondContact O-N 3.03Å; S353-P394 WeakPolarHBondContact OG-CG 3.13Å |
| 354 | F | 93.9 | Very high | 89.6 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.8 | 175.2 | -57.5 | -93.5 | 0 | 0 | 0 | 110.1 | S338 V339 I341 V352 F374 H386 S387 G391 | S338-F354 VanDerWaalsContact CA-O 3.26Å; S338-F354 WeakPolarHBondContact CA-O 3.32Å; S338-F354 WeakPolarHBondContact CB-O 3.43Å; V339-F354 HydrophobicContact CB-CB 4.38Å; V339-F354 PolarHBondContact N-O 3.06Å; V339-F354 PolarHBondContact O-N 3.47Å; I341-F354 HydrophobicContact CD1-CE2 3.94Å; I341-F354 HydrophobicContact CG1-CE2 4.33Å; V352-F354 HydrophobicContact CB-CE2 4.44Å; V352-F354 HydrophobicContact CG1-CD2 4.23Å; V352-F354 HydrophobicContact CG1-CE1 4.47Å; V352-F354 HydrophobicContact CG1-CE2 3.47Å; V352-F354 VanDerWaalsContact CG1-CE2 3.47Å; V352-F354 HydrophobicContact CG1-CZ 3.61Å; F354-F374 HydrophobicContact CD2-CE1 4.45Å; F354-F374 AromaticContact CD2-CZ 3.77Å; F354-F374 HydrophobicContact CD2-CZ 3.77Å; F354-F374 AromaticContact CE2-CE1 3.76Å; F354-F374 HydrophobicContact CE2-CE1 3.76Å; F354-F374 AromaticContact CE2-CZ 3.53Å; F354-F374 HydrophobicContact CE2-CZ 3.53Å; F354-F374 HydrophobicContact CG-CZ 4.42Å; F354-F374 AromaticContact CZ-CE1 3.89Å; F354-F374 HydrophobicContact CZ-CE1 3.89Å; F354-F374 AromaticContact CZ-CZ 3.99Å; F354-F374 HydrophobicContact CZ-CZ 3.99Å; F354-H386 HydrophobicContact CD1-CB 4.17Å; F354-H386 AromaticContact CD1-CG 3.99Å; F354-H386 AromaticContact CD1-ND1 3.69Å; F354-H386 HydrophobicContact CE1-CB 3.91Å; F354-H386 HydrophobicContact CZ-CB 4.34Å; F354-S387 WeakPolarHBondContact CE1-O 3.39Å; F354-S387 WeakPolarHBondContact CZ-O 3.41Å; F354-G391 VanDerWaalsContact CE1-CA 3.47Å |
| 355 | E | 89.8 | Confident | 89.8 | Confident | 153 Ų | 153 | 56.1 Ų | 56.1 | 72% | 0.715 | 26% | 0.26 | S | S | * | . | trans | -123.9 | 23.8 | -173.2 | -60.8 | -176.6 | 175.8 | 0 | 0 | 112.2 | ||||
| 356 | E | 89 | Confident | 90.1 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | trans | -82.1 | -18.3 | -169.8 | -64 | 171.9 | 170 | 0 | 0 | 113.4 | K14 I384 H386 | K14-E356 IonicContact NZ-OE1 3.16Å; K14-E356 PolarHBondContact NZ-OE1 2.77Å; E356-I384 HydrophobicContact CB-CD1 4.03Å; E356-H386 IonicContact OE2-CE1 2.71Å; E356-H386 PolarHBondContact OE2-CE1 2.95Å; E356-H386 IonicContact OE2-ND1 3.96Å; E356-H386 PolarHBondContact OE2-ND1 2.85Å | ||
| 357 | H | 90.5 | Very high | 90.5 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | trans | -81.6 | 143.2 | 178.1 | -88.2 | -67.6 | 0 | 0 | 0 | 113.5 | V361 T376 G378 D380 | H357-V361 HydrophobicContact CB-CG2 3.77Å; H357-V361 WeakPolarHBondContact CD2-CG2 3.44Å; H357-T376 WeakPolarHBondContact NE2-CB 3.48Å; H357-T376 PolarHBondContact NE2-OG1 2.8Å; H357-G378 PolarHBondContact CE1-N 2.85Å; H357-D380 WeakPolarHBondContact CA-OD2 3.4Å; H357-D380 IonicContact CE1-OD1 2.87Å; H357-D380 IonicContact CE1-OD2 3.75Å; H357-D380 IonicContact CG-OD2 3.03Å; H357-D380 IonicContact ND1-OD1 3.42Å; H357-D380 PolarHBondContact ND1-OD1 2.97Å; H357-D380 IonicContact ND1-OD2 3.68Å; H357-D380 PolarHBondContact ND1-OD2 3.17Å | ||
| 358 | K | 88 | Confident | 90.4 | Very high | 174 Ų | 174 | 44.5 Ų | 44.5 | 76% | 0.757 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -112.9 | -8.2 | -173.4 | -63.3 | 173.7 | -175 | 169.5 | 0 | 113.9 | L337 D380 | L337-K358 WeakPolarHBondContact CD1-O 3.31Å; K358-D380 HydrophobicContact CB-CB 4.21Å; K358-D380 PolarHBondContact N-OD2 3.12Å |
| 359 | D | 89.3 | Confident | 90.4 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 31% | 0.305 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -146.5 | 173.2 | 164 | -171 | 7.7 | 0 | 0 | 0 | 108.3 | V361 R379 D380 | D359-V361 PolarHBondContact O-N 3.47Å; D359-R379 HydrophobicContact CB-CB 3.92Å; D359-R379 WeakPolarHBondContact OD2-CB 3.4Å; D359-D380 HydrophobicContact CB-CB 4.2Å; D359-D380 PolarHBondContact N-OD2 2.74Å |
| 360 | L | 90.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | trans | -49.2 | 125.9 | -169 | -66 | 161.4 | 0 | 0 | 0 | 113.8 | L337 T362 R379 | L337-L360 HydrophobicContact CD2-CD2 3.98Å; L337-L360 HydrophobicContact CD2-CG 4.2Å; L360-T362 WeakPolarHBondContact O-CG2 3.4Å; L360-T362 PolarHBondContact O-N 3.02Å; L360-R379 HydrophobicContact CB-CG 4.43Å; L360-R379 PolarHBondContact O-N 3.15Å; L360-R379 VanDerWaalsContact O-N 3.1Å | ||
| 361 | V | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 107.4 | 176.6 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | N315 S330 L337 V339 H357 D359 T376 | N315-V361 PolarHBondContact ND2-O 2.8Å; S330-V361 PolarHBondContact OG-O 2.83Å; L337-V361 WeakPolarHBondContact O-CG2 3.25Å; V339-V361 HydrophobicContact CG2-CB 4.39Å; V339-V361 HydrophobicContact CG2-CG1 4.13Å; V339-V361 HydrophobicContact CG2-CG2 3.91Å; H357-V361 HydrophobicContact CB-CG2 3.77Å; H357-V361 WeakPolarHBondContact CD2-CG2 3.44Å; D359-V361 PolarHBondContact O-N 3.47Å; V361-T376 HydrophobicContact CG1-CG2 4.34Å |
| 362 | T | 91.5 | Very high | 90 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -34.9 | -169.8 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | L25 M26 N315 L360 V377 R379 | L25-T362 WeakPolarHBondContact O-CG2 3.35Å; L25-T362 PolarHBondContact O-OG1 3.34Å; M26-T362 VanDerWaalsContact C-OG1 3.27Å; M26-T362 HydrophobicContact CE-CG2 4.31Å; M26-T362 WeakPolarHBondContact O-CB 3.41Å; M26-T362 PolarHBondContact O-OG1 3.19Å; N315-T362 PolarHBondContact ND2-O 3.49Å; L360-T362 WeakPolarHBondContact O-CG2 3.4Å; L360-T362 PolarHBondContact O-N 3.02Å; T362-V377 PolarHBondContact N-O 2.98Å; T362-V377 PolarHBondContact OG1-O 3.38Å; T362-R379 HydrophobicContact CG2-CG 3.51Å |
| 363 | C | 93.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.054 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 149.2 | -175 | -160 | 0 | 0 | 0 | 0 | 111.4 | M28 V377 | M28-C363 HydrophobicContact CB-CB 4.46Å; C363-V377 HydrophobicContact CB-CB 4.44Å; C363-V377 PolarHBondContact N-O 3.28Å; C363-V377 PolarHBondContact O-N 3.03Å; C363-V377 VanDerWaalsContact O-N 3.12Å |
| 364 | I | 94.9 | Very high | 90 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138.9 | 171.3 | -41.4 | 171.8 | 0 | 0 | 0 | 108 | R316 V328 V339 F374 Y375 T376 | R316-I364 HydrophobicContact CB-CD1 3.86Å; R316-I364 HydrophobicContact CB-CG1 3.9Å; V328-I364 HydrophobicContact CG1-CD1 4.35Å; V328-I364 HydrophobicContact CG1-CG2 3.82Å; V328-I364 HydrophobicContact CG2-CD1 4.36Å; V339-I364 HydrophobicContact CG1-CD1 4.34Å; I364-F374 HydrophobicContact CG2-CD2 3.88Å; I364-F374 HydrophobicContact CG2-CE2 4.48Å; I364-Y375 WeakPolarHBondContact CA-O 3.44Å; I364-T376 HydrophobicContact CG2-CG2 4.21Å |
| 365 | S | 94.2 | Very high | 90.1 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 131.3 | 172 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | Y375 | S365-Y375 PolarHBondContact N-O 3.03Å; S365-Y375 PolarHBondContact O-N 2.8Å |
| 366 | W | 92.9 | Very high | 90.3 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 154.7 | 171.6 | -72.2 | 96.7 | 0 | 0 | 0 | 111 | R318 W319 R320 P321 V328 I341 P368 F374 V388 | R318-W366 PolarHBondContact O-NE1 3.31Å; W319-W366 PolarHBondContact O-NE1 3.15Å; R320-W366 HydrophobicContact CB-CH2 4.01Å; R320-W366 HydrophobicContact CB-CZ2 3.63Å; R320-W366 HydrophobicContact CG-CD2 4.41Å; R320-W366 HydrophobicContact CG-CE3 4.2Å; R320-W366 HydrophobicContact CG-CH2 3.53Å; R320-W366 HydrophobicContact CG-CZ2 3.68Å; R320-W366 HydrophobicContact CG-CZ3 3.79Å; P321-W366 VanDerWaalsContact CD-CG 3.45Å; P321-W366 HydrophobicContact CG-CB 3.89Å; P321-W366 HydrophobicContact CG-CG 4.16Å; V328-W366 HydrophobicContact CB-CZ2 3.81Å; V328-W366 HydrophobicContact CG1-CZ2 3.78Å; I341-W366 HydrophobicContact CD1-CH2 4.13Å; W366-P368 WeakPolarHBondContact O-CD 3.42Å; W366-F374 HydrophobicContact CD2-CB 3.87Å; W366-F374 HydrophobicContact CE3-CB 3.63Å; W366-F374 HydrophobicContact CE3-CD1 4.38Å; W366-F374 HydrophobicContact CE3-CG 4.36Å; W366-F374 HydrophobicContact CG-CB 4.35Å; W366-F374 HydrophobicContact CH2-CD1 4.04Å; W366-F374 HydrophobicContact CH2-CG 4.47Å; W366-F374 HydrophobicContact CZ3-CB 3.99Å; W366-F374 AromaticContact CZ3-CD1 3.85Å; W366-F374 HydrophobicContact CZ3-CD1 3.85Å; W366-F374 HydrophobicContact CZ3-CG 4.25Å; W366-V388 HydrophobicContact CH2-CG2 4.08Å; W366-V388 HydrophobicContact CZ3-CG2 3.97Å |
| 367 | C | 90.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | trans | -70.8 | 122.2 | 166.7 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | A369 E370 N373 Y375 | C367-A369 PolarHBondContact O-N 3.14Å; C367-E370 HydrophobicContact CB-CB 3.97Å; C367-E370 PolarHBondContact O-N 2.91Å; C367-E370 PolarHBondContact SG-OE2 3.42Å; C367-N373 HydrophobicContact CB-CB 4.11Å; C367-N373 VanDerWaalsContact CB-O 3.23Å; C367-N373 WeakPolarHBondContact CB-O 3.35Å; C367-N373 PolarHBondContact N-O 3.39Å; C367-Y375 HydrophobicContact CB-CE2 3.92Å | ||
| 368 | P | 83.8 | Confident | 90.7 | Very high | 70 Ų | 70 | 29.7 Ų | 29.7 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -63.6 | -26.2 | -178.6 | -27.3 | 37.7 | 0 | 0 | 0 | 114.4 | V30 W366 | V30-P368 HydrophobicContact CG1-CG 4.31Å; W366-P368 WeakPolarHBondContact O-CD 3.42Å |
| 369 | A | 81.9 | Confident | 90.8 | Very high | 72 Ų | 72 | 26.3 Ų | 26.3 | 60% | 0.595 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -91 | -22.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A34 C367 | A34-A369 HydrophobicContact CB-CB 3.82Å; C367-A369 PolarHBondContact O-N 3.14Å |
| 370 | E | 84.3 | Confident | 90.9 | Very high | 68 Ų | 68 | 25.7 Ų | 25.7 | 32% | 0.318 | 15% | 0.146 | S | C | . | . | trans | -131.5 | 100 | -167 | -57.5 | 169.3 | 143.2 | 0 | 0 | 111 | C367 N372 N373 R385 | C367-E370 HydrophobicContact CB-CB 3.97Å; C367-E370 PolarHBondContact O-N 2.91Å; C367-E370 PolarHBondContact SG-OE2 3.42Å; E370-N372 PolarHBondContact O-N 3.25Å; E370-N373 HydrophobicContact CB-CB 4.09Å; E370-N373 VanDerWaalsContact CD-ND2 3.27Å; E370-N373 PolarHBondContact O-N 2.82Å; E370-N373 WeakPolarHBondContact OE2-CB 3.45Å; E370-N373 PolarHBondContact OE2-ND2 3.14Å; E370-R385 IonicContact OE1-NH2 2.77Å; E370-R385 PolarHBondContact OE1-NH2 3.03Å; E370-R385 IonicContact OE2-CZ 3.44Å; E370-R385 IonicContact OE2-NE 3.73Å; E370-R385 IonicContact OE2-NH2 2.76Å; E370-R385 PolarHBondContact OE2-NH2 2.91Å | ||
| 371 | A | 85.2 | Confident | 90.9 | Very high | 21 Ų | 21 | 25 Ų | 25 | 17% | 0.174 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R320 P321 T322 F323 | R320-A371 PolarHBondContact NE-O 3.19Å; R320-A371 PolarHBondContact NH2-O 2.82Å; R320-A371 VanDerWaalsContact NH2-O 3.12Å; P321-A371 HydrophobicContact CB-CB 4.39Å; T322-A371 HydrophobicContact CG2-CB 4.22Å; F323-A371 HydrophobicContact CE2-CB 4.36Å |
| 372 | N | 89.6 | Confident | 90.8 | Very high | 55 Ų | 55 | 26 Ų | 26 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -7.3 | 175.8 | -71.6 | 6.9 | 0 | 0 | 0 | 113.9 | R320 E370 V388 | R320-N372 PolarHBondContact NH2-OD1 3.21Å; E370-N372 PolarHBondContact O-N 3.25Å; N372-V388 VanDerWaalsContact O-CG2 3.27Å; N372-V388 WeakPolarHBondContact O-CG2 3.47Å; N372-V388 PolarHBondContact O-N 2.91Å |
| 373 | N | 90.9 | Very high | 91 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 13% | 0.128 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.7 | -177.6 | -71.2 | -33.2 | 0 | 0 | 0 | 112.2 | C367 E370 R385 H386 S387 | C367-N373 HydrophobicContact CB-CB 4.11Å; C367-N373 VanDerWaalsContact CB-O 3.23Å; C367-N373 WeakPolarHBondContact CB-O 3.35Å; C367-N373 PolarHBondContact N-O 3.39Å; E370-N373 HydrophobicContact CB-CB 4.09Å; E370-N373 VanDerWaalsContact CD-ND2 3.27Å; E370-N373 PolarHBondContact O-N 2.82Å; E370-N373 WeakPolarHBondContact OE2-CB 3.45Å; E370-N373 PolarHBondContact OE2-ND2 3.14Å; N373-R385 HydrophobicContact CB-CG 4.5Å; N373-H386 WeakPolarHBondContact CA-O 3.32Å; N373-S387 WeakPolarHBondContact OD1-CA 3.22Å; N373-S387 WeakPolarHBondContact OD1-CB 3.42Å |
| 374 | F | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.6 | 174.7 | 68.1 | -79.7 | 0 | 0 | 0 | 112.3 | V328 V339 I341 F354 I364 W366 T376 R385 H386 V388 | V328-F374 HydrophobicContact CG2-CD2 4.48Å; V328-F374 HydrophobicContact CG2-CE2 4.08Å; V328-F374 HydrophobicContact CG2-CZ 4.39Å; V339-F374 HydrophobicContact CG1-CE2 4Å; V339-F374 HydrophobicContact CG1-CZ 4.43Å; I341-F374 HydrophobicContact CD1-CE1 3.99Å; F354-F374 HydrophobicContact CD2-CE1 4.45Å; F354-F374 AromaticContact CD2-CZ 3.77Å; F354-F374 HydrophobicContact CD2-CZ 3.77Å; F354-F374 AromaticContact CE2-CE1 3.76Å; F354-F374 HydrophobicContact CE2-CE1 3.76Å; F354-F374 AromaticContact CE2-CZ 3.53Å; F354-F374 HydrophobicContact CE2-CZ 3.53Å; F354-F374 HydrophobicContact CG-CZ 4.42Å; F354-F374 AromaticContact CZ-CE1 3.89Å; F354-F374 HydrophobicContact CZ-CE1 3.89Å; F354-F374 AromaticContact CZ-CZ 3.99Å; F354-F374 HydrophobicContact CZ-CZ 3.99Å; I364-F374 HydrophobicContact CG2-CD2 3.88Å; I364-F374 HydrophobicContact CG2-CE2 4.48Å; W366-F374 HydrophobicContact CD2-CB 3.87Å; W366-F374 HydrophobicContact CE3-CB 3.63Å; W366-F374 HydrophobicContact CE3-CD1 4.38Å; W366-F374 HydrophobicContact CE3-CG 4.36Å; W366-F374 HydrophobicContact CG-CB 4.35Å; W366-F374 HydrophobicContact CH2-CD1 4.04Å; W366-F374 HydrophobicContact CH2-CG 4.47Å; W366-F374 HydrophobicContact CZ3-CB 3.99Å; W366-F374 AromaticContact CZ3-CD1 3.85Å; W366-F374 HydrophobicContact CZ3-CD1 3.85Å; W366-F374 HydrophobicContact CZ3-CG 4.25Å; F374-T376 HydrophobicContact CD2-CG2 3.89Å; F374-T376 HydrophobicContact CE2-CG2 3.63Å; F374-R385 CarbonylContact O-C 3.48Å; F374-R385 WeakPolarHBondContact O-CA 3.36Å; F374-H386 HydrophobicContact CD1-CB 4.21Å; F374-H386 HydrophobicContact CE1-CB 3.68Å; F374-H386 HydrophobicContact CE2-CB 4.19Å; F374-H386 AromaticContact CE2-CD2 3.45Å; F374-H386 VanDerWaalsContact CE2-CD2 3.45Å; F374-H386 WeakPolarHBondContact CE2-CD2 3.43Å; F374-H386 HydrophobicContact CZ-CB 3.67Å; F374-H386 AromaticContact CZ-CD2 3.65Å; F374-H386 AromaticContact CZ-CG 3.93Å; F374-H386 PolarHBondContact N-O 3.4Å; F374-H386 PolarHBondContact O-N 3.33Å; F374-V388 HydrophobicContact CD1-CG2 4.34Å; F374-V388 HydrophobicContact CE1-CG2 4.35Å |
| 375 | Y | 94.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.5 | -177.7 | -58.3 | -90.4 | 0 | 0 | 0 | 111 | M28 V30 V37 V50 F55 I364 S365 C367 I384 R385 | M28-Y375 VanDerWaalsContact CE-CB 3.42Å; M28-Y375 WeakPolarHBondContact CE-O 3.22Å; V30-Y375 HydrophobicContact CG1-CE2 4.32Å; V30-Y375 HydrophobicContact CG2-CD2 3.66Å; V30-Y375 HydrophobicContact CG2-CE2 4.06Å; V30-Y375 HydrophobicContact CG2-CG 4.31Å; V37-Y375 HydrophobicContact CG2-CD1 4.35Å; V37-Y375 HydrophobicContact CG2-CE1 4.02Å; V50-Y375 HydrophobicContact CG2-CE1 4.46Å; F55-Y375 HydrophobicContact CE1-CD1 4.09Å; F55-Y375 AromaticContact CE1-CE1 3.78Å; F55-Y375 HydrophobicContact CE1-CE1 3.78Å; F55-Y375 AromaticContact CZ-CD1 3.97Å; F55-Y375 HydrophobicContact CZ-CD1 3.97Å; F55-Y375 AromaticContact CZ-CE1 3.84Å; F55-Y375 HydrophobicContact CZ-CE1 3.84Å; I364-Y375 WeakPolarHBondContact CA-O 3.44Å; S365-Y375 PolarHBondContact N-O 3.03Å; S365-Y375 PolarHBondContact O-N 2.8Å; C367-Y375 HydrophobicContact CB-CE2 3.92Å; Y375-I384 CarbonylContact C-O 3.12Å; Y375-I384 WeakPolarHBondContact CA-O 3.25Å; Y375-R385 HydrophobicContact CD1-CB 3.75Å; Y375-R385 HydrophobicContact CD1-CG 4.07Å; Y375-R385 HydrophobicContact CE1-CB 3.6Å; Y375-R385 HydrophobicContact CE1-CG 3.61Å |
| 376 | T | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.7 | 175.7 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | V339 H357 V361 I364 F374 I384 H386 | V339-T376 HydrophobicContact CG2-CG2 4.19Å; H357-T376 WeakPolarHBondContact NE2-CB 3.48Å; H357-T376 PolarHBondContact NE2-OG1 2.8Å; V361-T376 HydrophobicContact CG1-CG2 4.34Å; I364-T376 HydrophobicContact CG2-CG2 4.21Å; F374-T376 HydrophobicContact CD2-CG2 3.89Å; F374-T376 HydrophobicContact CE2-CG2 3.63Å; T376-I384 PolarHBondContact N-O 3.12Å; T376-I384 PolarHBondContact O-N 2.79Å; T376-H386 PolarHBondContact OG1-CD2 3.19Å; T376-H386 PolarHBondContact OG1-NE2 2.77Å |
| 377 | V | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 123.7 | -176.9 | 163.3 | 0 | 0 | 0 | 0 | 111.1 | L25 M28 V39 T362 C363 L382 L383 | L25-V377 HydrophobicContact CB-CG1 3.28Å; L25-V377 HydrophobicContact CD1-CG1 3.95Å; L25-V377 HydrophobicContact CG-CG1 4.25Å; M28-V377 HydrophobicContact CB-CB 4.36Å; M28-V377 HydrophobicContact CB-CG2 3.93Å; M28-V377 HydrophobicContact CE-CB 4.19Å; M28-V377 HydrophobicContact CE-CG2 3.63Å; M28-V377 HydrophobicContact CG-CG2 4.27Å; M28-V377 HydrophobicContact SD-CG2 3.45Å; M28-V377 WeakPolarHBondContact SD-CG2 3.31Å; V39-V377 HydrophobicContact CG1-CG2 4.17Å; T362-V377 PolarHBondContact N-O 2.98Å; T362-V377 PolarHBondContact OG1-O 3.38Å; C363-V377 HydrophobicContact CB-CB 4.44Å; C363-V377 PolarHBondContact N-O 3.28Å; C363-V377 PolarHBondContact O-N 3.03Å; C363-V377 VanDerWaalsContact O-N 3.12Å; V377-L382 WeakPolarHBondContact CA-O 3.44Å; V377-L383 HydrophobicContact CG2-CB 4.21Å; V377-L383 HydrophobicContact CG2-CD1 3.54Å; V377-L383 HydrophobicContact CG2-CG 4.48Å |
| 378 | G | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 163.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L25 H357 D380 G381 L382 | L25-G378 PolarHBondContact N-O 3.15Å; H357-G378 PolarHBondContact CE1-N 2.85Å; G378-D380 VanDerWaalsContact CA-OD1 3.25Å; G378-D380 WeakPolarHBondContact CA-OD1 3.08Å; G378-D380 PolarHBondContact O-N 2.92Å; G378-G381 PolarHBondContact O-N 3.4Å; G378-G381 VanDerWaalsContact O-N 3.12Å; G378-L382 PolarHBondContact N-O 2.94Å |
| 379 | R | 91 | Very high | 90.9 | Very high | 104 Ų | 104 | 24.7 Ų | 24.7 | 39% | 0.392 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.1 | 173.5 | -69.4 | -166.2 | 179 | 165.8 | 6.7 | 114 | P24 M26 D359 L360 T362 G381 | P24-R379 WeakPolarHBondContact CA-O 3.3Å; P24-R379 VanDerWaalsContact CB-O 3.26Å; P24-R379 WeakPolarHBondContact CB-O 3.48Å; M26-R379 HydrophobicContact CE-CG 3.81Å; D359-R379 HydrophobicContact CB-CB 3.92Å; D359-R379 WeakPolarHBondContact OD2-CB 3.4Å; L360-R379 HydrophobicContact CB-CG 4.43Å; L360-R379 PolarHBondContact O-N 3.15Å; L360-R379 VanDerWaalsContact O-N 3.1Å; T362-R379 HydrophobicContact CG2-CG 3.51Å; R379-G381 PolarHBondContact O-N 2.82Å |
| 380 | D | 90.9 | Very high | 91.2 | Very high | 44 Ų | 44 | 22.5 Ų | 22.5 | 24% | 0.235 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10 | 167.2 | 49.5 | 17.9 | 0 | 0 | 0 | 113.1 | H357 K358 D359 G378 L382 | H357-D380 WeakPolarHBondContact CA-OD2 3.4Å; H357-D380 IonicContact CE1-OD1 2.87Å; H357-D380 IonicContact CE1-OD2 3.75Å; H357-D380 IonicContact CG-OD2 3.03Å; H357-D380 IonicContact ND1-OD1 3.42Å; H357-D380 PolarHBondContact ND1-OD1 2.97Å; H357-D380 IonicContact ND1-OD2 3.68Å; H357-D380 PolarHBondContact ND1-OD2 3.17Å; K358-D380 HydrophobicContact CB-CB 4.21Å; K358-D380 PolarHBondContact N-OD2 3.12Å; D359-D380 HydrophobicContact CB-CB 4.2Å; D359-D380 PolarHBondContact N-OD2 2.74Å; G378-D380 VanDerWaalsContact CA-OD1 3.25Å; G378-D380 WeakPolarHBondContact CA-OD1 3.08Å; G378-D380 PolarHBondContact O-N 2.92Å; D380-L382 VanDerWaalsContact C-N 3.34Å; D380-L382 HydrophobicContact CB-CG 4.23Å; D380-L382 WeakPolarHBondContact OD1-CB 3.38Å; D380-L382 PolarHBondContact OD1-N 2.97Å; D380-L382 WeakPolarHBondContact OD2-CD1 3.06Å |
| 381 | G | 89.9 | Confident | 91.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 84.1 | 10.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T21 G378 R379 | T21-G381 PolarHBondContact N-O 2.73Å; T21-G381 WeakPolarHBondContact OG1-CA 3.15Å; T21-G381 PolarHBondContact OG1-O 2.9Å; G378-G381 PolarHBondContact O-N 3.4Å; G378-G381 VanDerWaalsContact O-N 3.12Å; R379-G381 PolarHBondContact O-N 2.82Å |
| 382 | L | 92.6 | Very high | 91.5 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 11% | 0.105 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 138.6 | 175.3 | -57.2 | -177.1 | 0 | 0 | 0 | 111.2 | I18 Y19 T20 V377 G378 D380 I384 | I18-L382 HydrophobicContact CG2-CD2 4.24Å; Y19-L382 WeakPolarHBondContact O-CA 3.02Å; T20-L382 HydrophobicContact CG2-CD2 3.63Å; V377-L382 WeakPolarHBondContact CA-O 3.44Å; G378-L382 PolarHBondContact N-O 2.94Å; D380-L382 VanDerWaalsContact C-N 3.34Å; D380-L382 HydrophobicContact CB-CG 4.23Å; D380-L382 WeakPolarHBondContact OD1-CB 3.38Å; D380-L382 PolarHBondContact OD1-N 2.97Å; D380-L382 WeakPolarHBondContact OD2-CD1 3.06Å; L382-I384 HydrophobicContact CB-CD1 4.34Å; L382-I384 HydrophobicContact CB-CG1 4.13Å; L382-I384 HydrophobicContact CD1-CD1 4.17Å |
| 383 | L | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120 | 160.5 | 162.2 | 63.9 | 0 | 0 | 0 | 106.1 | Y19 L25 M28 V37 V39 F48 F55 V377 | Y19-L383 HydrophobicContact CD1-CB 4.42Å; Y19-L383 HydrophobicContact CD1-CD2 4.35Å; Y19-L383 PolarHBondContact N-O 3.35Å; Y19-L383 PolarHBondContact O-N 2.71Å; L25-L383 HydrophobicContact CD1-CB 4.32Å; M28-L383 HydrophobicContact SD-CD1 3.55Å; M28-L383 VanDerWaalsContact SD-CD1 3.55Å; V37-L383 HydrophobicContact CG1-CD1 4.35Å; V39-L383 HydrophobicContact CG1-CD1 4.21Å; V39-L383 HydrophobicContact CG1-CD2 4.04Å; F48-L383 HydrophobicContact CD2-CD2 4.04Å; F48-L383 HydrophobicContact CE2-CD2 3.97Å; F55-L383 HydrophobicContact CD1-CD2 3.82Å; F55-L383 HydrophobicContact CD2-CD2 4.48Å; F55-L383 HydrophobicContact CE1-CD1 4.31Å; F55-L383 HydrophobicContact CE1-CD2 3.69Å; F55-L383 HydrophobicContact CE1-CG 4.02Å; F55-L383 HydrophobicContact CE2-CD2 4.35Å; F55-L383 HydrophobicContact CE2-CG 4.19Å; F55-L383 HydrophobicContact CG-CD2 4.21Å; F55-L383 HydrophobicContact CZ-CD1 4.2Å; F55-L383 HydrophobicContact CZ-CD2 3.96Å; F55-L383 HydrophobicContact CZ-CG 3.8Å; V377-L383 HydrophobicContact CG2-CB 4.21Å; V377-L383 HydrophobicContact CG2-CD1 3.54Å; V377-L383 HydrophobicContact CG2-CG 4.48Å |
| 384 | I | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.5 | -178 | -45.6 | 176.8 | 0 | 0 | 0 | 109.2 | T16 I17 I18 E356 Y375 T376 L382 | T16-I384 HydrophobicContact CG2-CG2 3.52Å; I17-I384 CarbonylContact O-C 3.34Å; I17-I384 WeakPolarHBondContact O-CA 3.26Å; I18-I384 HydrophobicContact CG1-CD1 4.38Å; I18-I384 HydrophobicContact CG1-CG1 4.17Å; I18-I384 HydrophobicContact CG1-CG2 3.83Å; I18-I384 HydrophobicContact CG2-CG1 4.39Å; E356-I384 HydrophobicContact CB-CD1 4.03Å; Y375-I384 CarbonylContact C-O 3.12Å; Y375-I384 WeakPolarHBondContact CA-O 3.25Å; T376-I384 PolarHBondContact N-O 3.12Å; T376-I384 PolarHBondContact O-N 2.79Å; L382-I384 HydrophobicContact CB-CD1 4.34Å; L382-I384 HydrophobicContact CB-CG1 4.13Å; L382-I384 HydrophobicContact CD1-CD1 4.17Å |
| 385 | R | 92.7 | Very high | 90.6 | Very high | 29 Ų | 29 | 27.6 Ų | 27.6 | 11% | 0.109 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 100.1 | 162.2 | -178.5 | -170.5 | -177.7 | -163.7 | 4.8 | 106.8 | T16 I17 E52 F55 E370 N373 F374 Y375 | T16-R385 CarbonylContact C-O 3.49Å; T16-R385 VanDerWaalsContact CA-O 3.3Å; T16-R385 WeakPolarHBondContact CA-O 3.46Å; I17-R385 HydrophobicContact CB-CB 4.29Å; I17-R385 PolarHBondContact N-O 2.94Å; I17-R385 PolarHBondContact O-N 3.29Å; E52-R385 PolarHBondContact O-NH1 2.93Å; F55-R385 HydrophobicContact CZ-CB 4.06Å; E370-R385 IonicContact OE1-NH2 2.77Å; E370-R385 PolarHBondContact OE1-NH2 3.03Å; E370-R385 IonicContact OE2-CZ 3.44Å; E370-R385 IonicContact OE2-NE 3.73Å; E370-R385 IonicContact OE2-NH2 2.76Å; E370-R385 PolarHBondContact OE2-NH2 2.91Å; N373-R385 HydrophobicContact CB-CG 4.5Å; F374-R385 CarbonylContact O-C 3.48Å; F374-R385 WeakPolarHBondContact O-CA 3.36Å; Y375-R385 HydrophobicContact CD1-CB 3.75Å; Y375-R385 HydrophobicContact CD1-CG 4.07Å; Y375-R385 HydrophobicContact CE1-CB 3.6Å; Y375-R385 HydrophobicContact CE1-CG 3.61Å |
| 386 | H | 92.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 139.9 | 175.7 | -56.6 | -74.8 | 0 | 0 | 0 | 110.3 | T16 F354 E356 N373 F374 T376 | T16-H386 WeakPolarHBondContact OG1-CA 3.5Å; F354-H386 HydrophobicContact CD1-CB 4.17Å; F354-H386 AromaticContact CD1-CG 3.99Å; F354-H386 AromaticContact CD1-ND1 3.69Å; F354-H386 HydrophobicContact CE1-CB 3.91Å; F354-H386 HydrophobicContact CZ-CB 4.34Å; E356-H386 IonicContact OE2-CE1 2.71Å; E356-H386 PolarHBondContact OE2-CE1 2.95Å; E356-H386 IonicContact OE2-ND1 3.96Å; E356-H386 PolarHBondContact OE2-ND1 2.85Å; N373-H386 WeakPolarHBondContact CA-O 3.32Å; F374-H386 HydrophobicContact CD1-CB 4.21Å; F374-H386 HydrophobicContact CE1-CB 3.68Å; F374-H386 HydrophobicContact CE2-CB 4.19Å; F374-H386 AromaticContact CE2-CD2 3.45Å; F374-H386 VanDerWaalsContact CE2-CD2 3.45Å; F374-H386 WeakPolarHBondContact CE2-CD2 3.43Å; F374-H386 HydrophobicContact CZ-CB 3.67Å; F374-H386 AromaticContact CZ-CD2 3.65Å; F374-H386 AromaticContact CZ-CG 3.93Å; F374-H386 PolarHBondContact N-O 3.4Å; F374-H386 PolarHBondContact O-N 3.33Å; T376-H386 PolarHBondContact OG1-CD2 3.19Å; T376-H386 PolarHBondContact OG1-NE2 2.77Å |
| 387 | S | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 141 | 157.2 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | T16 F354 N373 E389 D390 | T16-S387 PolarHBondContact OG1-N 3.31Å; T16-S387 VanDerWaalsContact OG1-N 3.15Å; F354-S387 WeakPolarHBondContact CE1-O 3.39Å; F354-S387 WeakPolarHBondContact CZ-O 3.41Å; N373-S387 WeakPolarHBondContact OD1-CA 3.22Å; N373-S387 WeakPolarHBondContact OD1-CB 3.42Å; S387-E389 PolarHBondContact O-N 3.21Å; S387-E389 WeakPolarHBondContact OG-CB 3.22Å; S387-E389 PolarHBondContact OG-N 2.79Å; S387-E389 VanDerWaalsContact OG-N 3.14Å; S387-E389 PolarHBondContact OG-OE1 2.8Å; S387-D390 PolarHBondContact O-N 3.16Å |
| 388 | V | 91.7 | Very high | 87.6 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -59.3 | -24.8 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | I341 Y351 W366 N372 F374 | I341-V388 HydrophobicContact CD1-CB 4.43Å; I341-V388 HydrophobicContact CD1-CG1 4.16Å; I341-V388 HydrophobicContact CD1-CG2 3.7Å; Y351-V388 HydrophobicContact CE1-CG1 4.38Å; W366-V388 HydrophobicContact CH2-CG2 4.08Å; W366-V388 HydrophobicContact CZ3-CG2 3.97Å; N372-V388 VanDerWaalsContact O-CG2 3.27Å; N372-V388 WeakPolarHBondContact O-CG2 3.47Å; N372-V388 PolarHBondContact O-N 2.91Å; F374-V388 HydrophobicContact CD1-CG2 4.34Å; F374-V388 HydrophobicContact CE1-CG2 4.35Å |
| 389 | E | 87.3 | Confident | 86.2 | Confident | 72 Ų | 72 | 45.6 Ų | 45.6 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -72 | -34 | 179.3 | -59.2 | 163.2 | -123.1 | 0 | 0 | 113.1 | K15 S387 G391 | K15-E389 WeakPolarHBondContact CE-OE2 3.15Å; K15-E389 IonicContact NZ-OE1 3.71Å; K15-E389 PolarHBondContact NZ-OE1 2.97Å; K15-E389 IonicContact NZ-OE2 3.17Å; K15-E389 PolarHBondContact NZ-OE2 2.88Å; S387-E389 PolarHBondContact O-N 3.21Å; S387-E389 WeakPolarHBondContact OG-CB 3.22Å; S387-E389 PolarHBondContact OG-N 2.79Å; S387-E389 VanDerWaalsContact OG-N 3.14Å; S387-E389 PolarHBondContact OG-OE1 2.8Å; E389-G391 VanDerWaalsContact C-N 3.29Å; E389-G391 PolarHBondContact O-N 3.09Å |
| 390 | D | 88.2 | Confident | 85.1 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -80.6 | -4.1 | -171.7 | -70.9 | -39.7 | 0 | 0 | 0 | 114.5 | K14 K15 T16 S387 | K14-D390 VanDerWaalsContact CA-OD1 3.25Å; K14-D390 WeakPolarHBondContact CA-OD1 3.38Å; K14-D390 WeakPolarHBondContact CB-OD1 3.23Å; K14-D390 HydrophobicContact CD-CB 3.94Å; K14-D390 WeakPolarHBondContact CE-O 2.96Å; K14-D390 HydrophobicContact CG-CB 4.21Å; K14-D390 PolarHBondContact NZ-O 2.81Å; K15-D390 WeakPolarHBondContact CA-OD2 3.09Å; K15-D390 PolarHBondContact N-OD1 2.83Å; K15-D390 VanDerWaalsContact N-OD1 3.09Å; K15-D390 PolarHBondContact N-OD2 3.08Å; T16-D390 WeakPolarHBondContact CA-OD2 3.13Å; T16-D390 VanDerWaalsContact CB-OD2 3.24Å; T16-D390 WeakPolarHBondContact CB-OD2 3.31Å; T16-D390 PolarHBondContact N-OD2 2.98Å; T16-D390 PolarHBondContact OG1-OD2 3.02Å; S387-D390 PolarHBondContact O-N 3.16Å |
| 391 | G | 87.4 | Confident | 84.1 | Confident | 11 Ų | 11 | 44 Ų | 44 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -90.5 | 153.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V352 F354 E389 R393 | V352-G391 VanDerWaalsContact CG1-CA 3.48Å; F354-G391 VanDerWaalsContact CE1-CA 3.47Å; E389-G391 VanDerWaalsContact C-N 3.29Å; E389-G391 PolarHBondContact O-N 3.09Å; G391-R393 PolarHBondContact O-N 2.85Å |
| 392 | V | 89.1 | Confident | 83.2 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 129.4 | -179.7 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | V352 S353 P394 | V352-V392 CarbonylContact C-O 3.45Å; V352-V392 WeakPolarHBondContact CA-O 3.47Å; S353-V392 PolarHBondContact N-O 3.12Å; S353-V392 PolarHBondContact O-N 3.03Å; V392-P394 VanDerWaalsContact O-CD 3.25Å; V392-P394 WeakPolarHBondContact O-CD 3.12Å |
| 393 | R | 89 | Confident | 82.8 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 25% | 0.249 | 28% | 0.276 | C | S | . | . | trans | -94.9 | 99 | 176.5 | -66.4 | 170.3 | -173.3 | -79.2 | 5 | 109.7 | Y351 V352 G391 I395 E396 | Y351-R393 VanDerWaalsContact CZ-NH1 3.3Å; Y351-R393 PolarHBondContact OH-NH1 2.95Å; V352-R393 HydrophobicContact CG2-CG 4.04Å; G391-R393 PolarHBondContact O-N 2.85Å; R393-I395 PolarHBondContact O-N 2.76Å; R393-I395 VanDerWaalsContact O-N 3.1Å; R393-E396 HydrophobicContact CB-CG 4.01Å; R393-E396 WeakPolarHBondContact CD-OE1 3.37Å; R393-E396 WeakPolarHBondContact O-CB 2.99Å; R393-E396 PolarHBondContact O-N 3.35Å | ||
| 394 | P | 85.2 | Confident | 82.4 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.6 | -21.4 | -166.4 | -24.2 | 39.4 | 0 | 0 | 0 | 114 | P350 S353 V392 E396 N397 A398 | P350-P394 HydrophobicContact CG-CG 4.24Å; P350-P394 WeakPolarHBondContact O-CD 3.41Å; S353-P394 WeakPolarHBondContact OG-CG 3.13Å; V392-P394 VanDerWaalsContact O-CD 3.25Å; V392-P394 WeakPolarHBondContact O-CD 3.12Å; P394-E396 VanDerWaalsContact C-N 3.25Å; P394-E396 PolarHBondContact O-N 2.84Å; P394-N397 PolarHBondContact O-N 2.91Å; P394-A398 PolarHBondContact O-N 3.36Å; P394-A398 VanDerWaalsContact O-N 3.08Å |
| 395 | I | 80.8 | Confident | 82.1 | Confident | 88 Ų | 88 | 57 Ų | 57 | 45% | 0.451 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -28.2 | 172.6 | -167.7 | 167.6 | 0 | 0 | 0 | 113.3 | R393 N397 A398 | R393-I395 PolarHBondContact O-N 2.76Å; R393-I395 VanDerWaalsContact O-N 3.1Å; I395-N397 VanDerWaalsContact C-N 3.34Å; I395-A398 WeakPolarHBondContact O-CB 3.15Å; I395-A398 PolarHBondContact O-N 2.83Å |
| 396 | E | 78.8 | Confident | 81.4 | Confident | 128 Ų | 128 | 56.2 Ų | 56.2 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -78 | -24.7 | 177.5 | -61.8 | 172.9 | 177.2 | 0 | 0 | 112 | R393 P394 R419 | R393-E396 HydrophobicContact CB-CG 4.01Å; R393-E396 WeakPolarHBondContact CD-OE1 3.37Å; R393-E396 WeakPolarHBondContact O-CB 2.99Å; R393-E396 PolarHBondContact O-N 3.35Å; P394-E396 VanDerWaalsContact C-N 3.25Å; P394-E396 PolarHBondContact O-N 2.84Å; E396-R419 PolarHBondContact O-NH2 2.81Å |
| 397 | N | 72.5 | Confident | 80.3 | Confident | 108 Ų | 108 | 59.9 Ų | 59.9 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -90.1 | -11.2 | 174.7 | -74.9 | -37.7 | 0 | 0 | 0 | 113.3 | P394 I395 | P394-N397 PolarHBondContact O-N 2.91Å; I395-N397 VanDerWaalsContact C-N 3.34Å |
| 398 | A | 70.2 | Confident | 80 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -58.2 | 130.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | P394 I395 P400 | P394-A398 PolarHBondContact O-N 3.36Å; P394-A398 VanDerWaalsContact O-N 3.08Å; I395-A398 WeakPolarHBondContact O-CB 3.15Å; I395-A398 PolarHBondContact O-N 2.83Å; A398-P400 VanDerWaalsContact O-CD 3.24Å; A398-P400 WeakPolarHBondContact O-CD 3.48Å |
| 399 | P | 63.4 | Low | 79.4 | Confident | 102 Ų | 102 | 69.7 Ų | 69.7 | 66% | 0.662 | 39% | 0.389 | S | S | * | . | trans | -66.4 | 118.1 | 179.1 | 26.8 | -32.7 | 0 | 0 | 0 | 108.9 | V401 | P399-V401 PolarHBondContact O-N 3.04Š| ||
| 400 | P | 66.9 | Low | 79 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | trans | -85.2 | 59.4 | -177.2 | 37.7 | -36.8 | 0 | 0 | 0 | 109.3 | A398 V415 R416 | A398-P400 VanDerWaalsContact O-CD 3.24Å; A398-P400 WeakPolarHBondContact O-CD 3.48Å; P400-V415 WeakPolarHBondContact O-CA 3.38Å; P400-R416 HydrophobicContact CB-CB 3.54Å; P400-R416 HydrophobicContact CB-CG 4.41Å; P400-R416 HydrophobicContact CG-CB 3.67Å; P400-R416 HydrophobicContact CG-CG 4.49Å; P400-R416 PolarHBondContact O-N 3.22Å | ||
| 401 | V | 70.7 | Confident | 78.8 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 45% | 0.448 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 113.9 | -172.1 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | P399 A414 V415 | P399-V401 PolarHBondContact O-N 3.04Å; V401-A414 CarbonylContact C-O 3.37Å; V401-A414 VanDerWaalsContact CA-O 3.26Å; V401-A414 WeakPolarHBondContact CA-O 3.47Å; V401-V415 HydrophobicContact CG1-CG2 4.22Å; V401-V415 HydrophobicContact CG2-CG1 4.3Å; V401-V415 HydrophobicContact CG2-CG2 4.25Å |
| 402 | A | 70.9 | Confident | 78.4 | Confident | 18 Ų | 18 | 79.3 Ų | 79.3 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 147.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | H413 A414 I930 | A402-H413 WeakPolarHBondContact O-CA 3.29Å; A402-A414 HydrophobicContact CB-CB 4.32Å; A402-A414 PolarHBondContact N-O 3.48Å; A402-A414 PolarHBondContact O-N 2.99Å; A402-I930 HydrophobicContact CB-CD1 4.06Å |
| 403 | L | 83.6 | Confident | 78.1 | Confident | 118 Ų | 118 | 82 Ų | 82 | 62% | 0.618 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127.2 | 176 | -67 | 172.8 | 0 | 0 | 0 | 108.6 | L411 L412 H413 | L403-L411 HydrophobicContact CB-CD1 4.4Å; L403-L411 HydrophobicContact CD2-CD1 4.25Å; L403-L412 WeakPolarHBondContact CA-O 3.13Å; L403-H413 HydrophobicContact CD2-CB 3.52Å |
| 404 | S | 85 | Confident | 77.4 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 15% | 0.154 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139.5 | -178.6 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | L412 | S404-L412 PolarHBondContact N-O 2.95Å; S404-L412 PolarHBondContact O-N 2.8Å |
| 405 | F | 87.3 | Confident | 76.8 | Confident | 135 Ų | 135 | 82.3 Ų | 82.3 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127 | 177 | -74.5 | -87.3 | 0 | 0 | 0 | 110 | H410 L411 | F405-H410 CarbonylContact C-O 3.45Å; F405-H410 WeakPolarHBondContact CA-O 3.4Å; F405-L411 HydrophobicContact CD1-CB 4.45Å; F405-L411 HydrophobicContact CD1-CD1 4.21Å; F405-L411 HydrophobicContact CD2-CD1 4.29Å; F405-L411 HydrophobicContact CE1-CB 4.25Å; F405-L411 HydrophobicContact CE1-CD1 3.93Å; F405-L411 HydrophobicContact CE2-CD1 4Å; F405-L411 HydrophobicContact CG-CD1 4.4Å; F405-L411 HydrophobicContact CZ-CD1 3.82Å |
| 406 | S | 77.3 | Confident | 76.1 | Confident | 12 Ų | 12 | 85 Ų | 85 | 8% | 0.084 | 46% | 0.461 | C | S | . | . | trans | -70.3 | 157.7 | 169.8 | 82.3 | 0 | 0 | 0 | 0 | 110.9 | Y408 G409 H410 N925 | S406-Y408 PolarHBondContact O-N 3.38Å; S406-Y408 PolarHBondContact OG-N 3.1Å; S406-G409 PolarHBondContact O-N 3.12Å; S406-H410 PolarHBondContact N-O 2.75Å; S406-H410 WeakPolarHBondContact OG-CB 3.28Å; S406-H410 PolarHBondContact OG-N 3.09Å; S406-H410 VanDerWaalsContact OG-N 3.1Å; S406-N925 WeakPolarHBondContact CA-OD1 3.43Å; S406-N925 WeakPolarHBondContact CB-OD1 3.42Å | ||
| 407 | P | 69.9 | Low | 75.2 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -17.7 | 171.3 | -25.8 | 35.5 | 0 | 0 | 0 | 114.6 | N925 Y926 | P407-N925 WeakPolarHBondContact CD-OD1 3.24Å; P407-Y926 HydrophobicContact CG-CE2 4.48Å |
| 408 | Y | 85.2 | Confident | 74.4 | Confident | 153 Ų | 153 | 85.5 Ų | 85.5 | 60% | 0.6 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.6 | 178.1 | -49.5 | -72 | 0 | 0 | 0 | 113.5 | S406 H924 | S406-Y408 PolarHBondContact O-N 3.38Å; S406-Y408 PolarHBondContact OG-N 3.1Å; Y408-H924 PolarHBondContact OH-CD2 3.47Å; Y408-H924 VanDerWaalsContact OH-CD2 3.3Å |
| 409 | G | 78.1 | Confident | 73.3 | Confident | 58 Ų | 58 | 89.4 Ų | 89.4 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 81.2 | 15.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S406 | S406-G409 PolarHBondContact O-N 3.12Š|
| 410 | H | 80 | Confident | 72.7 | Confident | 127 Ų | 127 | 88 Ų | 88 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 137.1 | 170.9 | -52.5 | -34.2 | 0 | 0 | 0 | 109.9 | F405 S406 | F405-H410 CarbonylContact C-O 3.45Å; F405-H410 WeakPolarHBondContact CA-O 3.4Å; S406-H410 PolarHBondContact N-O 2.75Å; S406-H410 WeakPolarHBondContact OG-CB 3.28Å; S406-H410 PolarHBondContact OG-N 3.09Å; S406-H410 VanDerWaalsContact OG-N 3.1Å |
| 411 | L | 83.2 | Confident | 71.5 | Confident | 97 Ų | 97 | 90.7 Ų | 90.7 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116 | 175.4 | 178.6 | 63.5 | 0 | 0 | 0 | 110 | L403 F405 | L403-L411 HydrophobicContact CB-CD1 4.4Å; L403-L411 HydrophobicContact CD2-CD1 4.25Å; F405-L411 HydrophobicContact CD1-CB 4.45Å; F405-L411 HydrophobicContact CD1-CD1 4.21Å; F405-L411 HydrophobicContact CD2-CD1 4.29Å; F405-L411 HydrophobicContact CE1-CB 4.25Å; F405-L411 HydrophobicContact CE1-CD1 3.93Å; F405-L411 HydrophobicContact CE2-CD1 4Å; F405-L411 HydrophobicContact CG-CD1 4.4Å; F405-L411 HydrophobicContact CZ-CD1 3.82Å |
| 412 | L | 79.6 | Confident | 70.4 | Confident | 88 Ų | 88 | 92.7 Ų | 92.7 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 141.7 | 163.4 | -177.7 | 64 | 0 | 0 | 0 | 108.9 | L403 S404 | L403-L412 WeakPolarHBondContact CA-O 3.13Å; S404-L412 PolarHBondContact N-O 2.95Å; S404-L412 PolarHBondContact O-N 2.8Å |
| 413 | H | 82.1 | Confident | 68.8 | Low | 128 Ų | 128 | 98 Ų | 98 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141 | 168.9 | 74.8 | -61.7 | 0 | 0 | 0 | 109.6 | A402 L403 | A402-H413 WeakPolarHBondContact O-CA 3.29Å; L403-H413 HydrophobicContact CD2-CB 3.52Å |
| 414 | A | 75.7 | Confident | 66.6 | Low | 48 Ų | 48 | 98.8 Ų | 98.8 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.8 | 170 | 0 | 0 | 0 | 0 | 0 | 108.4 | V401 A402 | V401-A414 CarbonylContact C-O 3.37Å; V401-A414 VanDerWaalsContact CA-O 3.26Å; V401-A414 WeakPolarHBondContact CA-O 3.47Å; A402-A414 HydrophobicContact CB-CB 4.32Å; A402-A414 PolarHBondContact N-O 3.48Å; A402-A414 PolarHBondContact O-N 2.99Å |
| 415 | V | 72.8 | Confident | 64.2 | Low | 61 Ų | 61 | 106.8 Ų | 106.8 | 37% | 0.37 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.6 | 179.2 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | P400 V401 K417 V420 | P400-V415 WeakPolarHBondContact O-CA 3.38Å; V401-V415 HydrophobicContact CG1-CG2 4.22Å; V401-V415 HydrophobicContact CG2-CG1 4.3Å; V401-V415 HydrophobicContact CG2-CG2 4.25Å; V415-K417 PolarHBondContact O-N 3.45Å; V415-V420 HydrophobicContact CB-CG2 4.38Å; V415-V420 HydrophobicContact CG1-CG2 3.77Å |
| 416 | R | 65.8 | Low | 61.5 | Low | 146 Ų | 146 | 106.8 Ų | 106.8 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | trans | -63.3 | 124.8 | 174.2 | 176.9 | 173 | 169.7 | 175.1 | -4.9 | 110.8 | P400 D418 R419 | P400-R416 HydrophobicContact CB-CB 3.54Å; P400-R416 HydrophobicContact CB-CG 4.41Å; P400-R416 HydrophobicContact CG-CB 3.67Å; P400-R416 HydrophobicContact CG-CG 4.49Å; P400-R416 PolarHBondContact O-N 3.22Å; R416-D418 HydrophobicContact CG-CB 4.35Å; R416-D418 IonicContact CZ-OD2 3.02Å; R416-D418 IonicContact NE-OD1 2.79Å; R416-D418 IonicContact NE-OD2 2.8Å; R416-D418 PolarHBondContact NE-OD2 3.13Å; R416-D418 IonicContact NH2-OD2 2.98Å; R416-D418 PolarHBondContact NH2-OD2 2.94Å; R416-D418 PolarHBondContact O-N 3.49Å; R416-R419 PolarHBondContact O-N 2.98Å | ||
| 417 | K | 58.8 | Low | 59.3 | Low | 152 Ų | 152 | 111.3 Ų | 111.3 | 66% | 0.661 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -45.2 | -43.5 | -171.2 | -148.3 | 174.5 | -175 | -178.1 | 0 | 113.1 | V415 R419 V420 | V415-K417 PolarHBondContact O-N 3.45Å; K417-R419 PolarHBondContact O-N 2.93Å; K417-R419 VanDerWaalsContact O-N 3.08Å; K417-V420 WeakPolarHBondContact O-CB 3.4Å; K417-V420 PolarHBondContact O-N 3.28Å |
| 418 | D | 55.9 | Low | 57.3 | Low | 94 Ų | 94 | 114.7 Ų | 114.7 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -54.9 | -27.8 | -173.5 | -38.8 | 13.4 | 0 | 0 | 0 | 114.2 | R416 | R416-D418 HydrophobicContact CG-CB 4.35Å; R416-D418 IonicContact CZ-OD2 3.02Å; R416-D418 IonicContact NE-OD1 2.79Å; R416-D418 IonicContact NE-OD2 2.8Å; R416-D418 PolarHBondContact NE-OD2 3.13Å; R416-D418 IonicContact NH2-OD2 2.98Å; R416-D418 PolarHBondContact NH2-OD2 2.94Å; R416-D418 PolarHBondContact O-N 3.49Å |
| 419 | R | 47.9 | Very low | 54.8 | Low | 124 Ų | 124 | 112.6 Ų | 112.6 | 47% | 0.468 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -98.3 | -9.2 | 178.5 | -70.7 | -165.2 | -178.8 | -167.9 | 4.9 | 114.4 | E396 R416 K417 I422 | E396-R419 PolarHBondContact O-NH2 2.81Å; R416-R419 PolarHBondContact O-N 2.98Å; K417-R419 PolarHBondContact O-N 2.93Å; K417-R419 VanDerWaalsContact O-N 3.08Å; R419-I422 HydrophobicContact CG-CD1 4.5Å |
| 420 | V | 49.6 | Very low | 52.3 | Low | 72 Ų | 72 | 118.2 Ų | 118.2 | 44% | 0.436 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -35.2 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | V415 K417 I422 | V415-V420 HydrophobicContact CB-CG2 4.38Å; V415-V420 HydrophobicContact CG1-CG2 3.77Å; K417-V420 WeakPolarHBondContact O-CB 3.4Å; K417-V420 PolarHBondContact O-N 3.28Å; V420-I422 VanDerWaalsContact C-N 3.27Å; V420-I422 PolarHBondContact O-N 3.47Å |
| 421 | E | 42.7 | Very low | 49.9 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 46% | 0.458 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | -19.3 | -176.6 | -58.4 | -163.7 | 153 | 0 | 0 | 114 | ||
| 422 | I | 47.6 | Very low | 47.2 | Very low | 115 Ų | 115 | 123 Ų | 123 | 59% | 0.59 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -37.3 | -175.5 | -58.9 | 177.8 | 0 | 0 | 0 | 111.6 | R419 V420 | R419-I422 HydrophobicContact CG-CD1 4.5Å; V420-I422 VanDerWaalsContact C-N 3.27Å; V420-I422 PolarHBondContact O-N 3.47Å |
| 423 | N | 37.7 | Very low | 44.7 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 70% | 0.695 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -84.8 | -20.6 | -178 | -74.6 | -10.9 | 0 | 0 | 0 | 113.8 | K425 L426 | N423-K425 PolarHBondContact O-N 3.44Å; N423-K425 VanDerWaalsContact O-N 3.08Å; N423-L426 PolarHBondContact O-N 3.36Å |
| 424 | N | 36 | Very low | 41.9 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -74.9 | 7.8 | 179.3 | -74 | -14.1 | 0 | 0 | 0 | 114 | ||
| 425 | K | 35.7 | Very low | 39.7 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -95.1 | 0.2 | 170.7 | -77.4 | -174.9 | 175 | 177.5 | 0 | 114.2 | N423 | N423-K425 PolarHBondContact O-N 3.44Å; N423-K425 VanDerWaalsContact O-N 3.08Å |
| 426 | L | 30.3 | Very low | 37.5 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 71% | 0.712 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -113.9 | 153.6 | 170.8 | -86.4 | 77.7 | 0 | 0 | 0 | 111.5 | N423 | N423-L426 PolarHBondContact O-N 3.36Š|
| 427 | S | 31.3 | Very low | 35.8 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | trans | 63.4 | 59.2 | 175.7 | 59.4 | 0 | 0 | 0 | 0 | 117.5 | V429 | S427-V429 PolarHBondContact O-N 2.89Š| ||
| 428 | T | 27.5 | Very low | 34.3 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 93% | 0.926 | 70% | 0.698 | S | S | * | * | trans | -68.3 | 86.1 | 138.9 | 48.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 429 | V | 31.8 | Very low | 33 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | trans | -122.8 | 124.9 | 172 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | S427 E431 | S427-V429 PolarHBondContact O-N 2.89Å; V429-E431 HydrophobicContact CG1-CG 4.37Å; V429-E431 PolarHBondContact O-N 3.39Å; V429-E431 VanDerWaalsContact O-N 3.15Å | ||
| 430 | E | 27.1 | Very low | 32.1 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -85 | 76.2 | -174 | -61.2 | -171.9 | 134 | 0 | 0 | 112.7 | N432 | E430-N432 VanDerWaalsContact C-N 3.34Å; E430-N432 PolarHBondContact O-N 3.08Å | ||
| 431 | E | 29 | Very low | 31 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -81.1 | 81.9 | 170.1 | -69.5 | -144.6 | 133.1 | 0 | 0 | 112.3 | V429 S433 | V429-E431 HydrophobicContact CG1-CG 4.37Å; V429-E431 PolarHBondContact O-N 3.39Å; V429-E431 VanDerWaalsContact O-N 3.15Å; E431-S433 PolarHBondContact O-N 2.88Å | ||
| 432 | N | 25.4 | Very low | 30.2 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -62.2 | 88.6 | 167.5 | -81.5 | -75.7 | 0 | 0 | 0 | 111.6 | E430 | E430-N432 VanDerWaalsContact C-N 3.34Å; E430-N432 PolarHBondContact O-N 3.08Å | ||
| 433 | S | 28.1 | Very low | 29.4 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -128.5 | 117.3 | 168.6 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | E431 | E431-S433 PolarHBondContact O-N 2.88Š| ||
| 434 | K | 24.1 | Very low | 28.9 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 118.7 | -178.7 | -62.3 | 168.1 | -178.6 | 170.7 | 0 | 110.1 | ||||
| 435 | V | 29.4 | Very low | 28.8 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -132.7 | 96.4 | 156.4 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 436 | S | 25 | Very low | 28.3 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 48% | 0.483 | 76% | 0.764 | S | S | . | * | trans | -114.8 | 148 | 163.9 | 54.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 437 | Y | 29.9 | Very low | 28 | Very low | 212 Ų | 212 | 142.3 Ų | 142.3 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | cis | -164.2 | -163.8 | 45.5 | -63.9 | -86.9 | 0 | 0 | 0 | 107.6 | ||||
| 438 | P | 28 | Very low | 27.8 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | cis | -126.6 | 153.6 | -17.6 | 26.3 | -5.8 | 0 | 0 | 0 | 114.7 | ||||
| 439 | T | 28.4 | Very low | 27.8 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -83 | 133.3 | 150.7 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 440 | T | 30 | Very low | 27.9 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -122 | 127 | 161.3 | 38.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 441 | T | 26 | Very low | 27.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -101.1 | 156.6 | 179.4 | 51 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 442 | K | 26.2 | Very low | 27.7 | Very low | 181 Ų | 181 | 141 Ų | 141 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | 170.1 | 149 | 123.3 | -95.9 | 172.5 | -179.4 | -177.4 | 0 | 116.3 | |||||
| 443 | N | 30.2 | Very low | 27.7 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 65.5 | 109.2 | 153 | -54.7 | -0.3 | 0 | 0 | 0 | 119 | ||||
| 444 | Q | 28.5 | Very low | 27.5 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | 56.3 | 150.8 | 57.9 | -74.8 | -167.2 | -25.5 | 0 | 0 | 116.1 | |||||
| 445 | P | 32.6 | Very low | 27.6 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | cis | -147.3 | -164.8 | -29.8 | 40.5 | -20.9 | 0 | 0 | 0 | 114.5 | ||||
| 446 | T | 24.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | 68.5 | 158.6 | 152.4 | 51.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 447 | F | 23.8 | Very low | 27.4 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | -150.6 | 174.6 | -2.8 | -139.8 | -77.8 | 0 | 0 | 0 | 110.2 | ||||
| 448 | V | 28.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 134 Ų | 134 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | 98.2 | 140 | 161.5 | -166.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 449 | Q | 28.3 | Very low | 27.1 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -141.4 | -169.6 | -165.8 | -113.4 | -171.6 | -16.1 | 0 | 0 | 107.3 | ||||
| 450 | P | 32.7 | Very low | 27.3 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | -136.4 | 163.2 | -39.3 | 37.3 | -21.8 | 0 | 0 | 0 | 113.9 | ||||
| 451 | S | 26.8 | Very low | 26.9 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 178.8 | 113.8 | 144.1 | 40.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 452 | N | 25.1 | Very low | 26.7 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | 85.7 | 108 | 68.2 | -80.1 | 16.2 | 0 | 0 | 0 | 112.9 | |||||
| 453 | G | 24.7 | Very low | 26.7 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 140.2 | 113.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 454 | N | 24.6 | Very low | 26.4 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | 48.4 | 85.1 | 154.1 | -57.7 | -3.7 | 0 | 0 | 0 | 118.4 | ||||
| 455 | G | 25.4 | Very low | 26.8 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -165.4 | 114.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | S457 | G455-S457 PolarHBondContact O-N 3.05Š| ||
| 456 | C | 25.9 | Very low | 26.5 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 96% | 0.959 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 87.4 | -171.5 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | L458 | C456-L458 PolarHBondContact O-N 3.39Å; C456-L458 VanDerWaalsContact O-N 3.14Å | ||
| 457 | S | 24.8 | Very low | 26.5 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | -68.5 | 104.2 | 166.5 | 56.7 | 0 | 0 | 0 | 0 | 109.8 | G455 S459 | G455-S457 PolarHBondContact O-N 3.05Å; S457-S459 PolarHBondContact O-N 3.24Å | ||
| 458 | L | 27.4 | Very low | 26.4 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | trans | -74.5 | 65.1 | 173.8 | -159.9 | 80.9 | 0 | 0 | 0 | 111 | C456 | C456-L458 PolarHBondContact O-N 3.39Å; C456-L458 VanDerWaalsContact O-N 3.14Å | ||
| 459 | S | 24.5 | Very low | 26.2 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | -81 | 117.1 | -179.7 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | S457 Y461 | S457-S459 PolarHBondContact O-N 3.24Å; S459-Y461 PolarHBondContact O-N 3.24Å | ||
| 460 | Y | 32.1 | Very low | 25.9 | Very low | 223 Ų | 223 | 124.2 Ų | 124.2 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | -1.2 | 108.5 | 151.1 | -107.5 | -100 | 0 | 0 | 0 | 115.9 | ||||
| 461 | Y | 22.4 | Very low | 25.5 | Very low | 232 Ų | 232 | 123.8 Ų | 123.8 | 91% | 0.91 | 76% | 0.759 | S | S | * | * | trans | -161.5 | 122.2 | 148.7 | -107.9 | -69.9 | 0 | 0 | 0 | 112.5 | S459 | S459-Y461 PolarHBondContact O-N 3.24Š| ||
| 462 | G | 22.5 | Very low | 25.5 | Very low | 53 Ų | 53 | 124.4 Ų | 124.4 | 55% | 0.546 | 76% | 0.758 | S | S | . | * | trans | 67.1 | 121.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | S464 | G462-S464 PolarHBondContact O-N 3.31Š| ||
| 463 | P | 25.7 | Very low | 25.3 | Very low | 128 Ų | 128 | 121 Ų | 121 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | trans | -75 | 69.3 | 147.7 | 34 | -32.8 | 0 | 0 | 0 | 109.3 | N465 | P463-N465 PolarHBondContact O-N 3.37Å; P463-N465 VanDerWaalsContact O-N 3.14Å | ||
| 464 | S | 23.9 | Very low | 25.3 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -79.9 | 91.5 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | G462 | G462-S464 PolarHBondContact O-N 3.31Š| ||
| 465 | N | 37.1 | Very low | 25.3 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 57% | 0.567 | 75% | 0.749 | S | S | * | * | trans | -54.8 | 150.9 | 154.6 | -61.3 | -31 | 0 | 0 | 0 | 109.2 | P463 T467 | P463-N465 PolarHBondContact O-N 3.37Å; P463-N465 VanDerWaalsContact O-N 3.14Å; N465-T467 HydrophobicContact CB-CG2 4.03Å | ||
| 466 | P | 26.8 | Very low | 25.2 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | -107.5 | 138.4 | 83.5 | -12.7 | 31.1 | 0 | 0 | 0 | 111.1 | |||||
| 467 | T | 23.8 | Very low | 25.2 | Very low | 100 Ų | 100 | 125 Ų | 125 | 61% | 0.613 | 74% | 0.738 | S | S | * | * | 51.6 | 116 | 54.5 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | N465 | N465-T467 HydrophobicContact CB-CG2 4.03Š| |||
| 468 | S | 22.7 | Very low | 25.2 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | 64 | 170.6 | 165.2 | 80.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 469 | A | 23.4 | Very low | 25 | Very low | 74 Ų | 74 | 123 Ų | 123 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | cis | -152.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 470 | L | 22.2 | Very low | 25.1 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | trans | 28.6 | 122 | 144.7 | -81 | 81.9 | 0 | 0 | 0 | 119.5 | ||||
| 471 | S | 23.8 | Very low | 24.7 | Very low | 88 Ų | 88 | 120.4 Ų | 120.4 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | S | Bend | -0.5 | 136.4 | 121.7 | 55.5 | 0 | 0 | 0 | 0 | 118.7 | |||
| 472 | T | 26.3 | Very low | 24.9 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | trans | 63.8 | 98.5 | 153 | 52.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 473 | A | 22.2 | Very low | 25 | Very low | 94 Ų | 94 | 117.3 Ų | 117.3 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | -158.3 | 101.6 | 129 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 474 | I | 24.7 | Very low | 24.9 | Very low | 145 Ų | 145 | 120 Ų | 120 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | 48.5 | 81.2 | 81.8 | -48.3 | 176.6 | 0 | 0 | 0 | 112.5 | |||||
| 475 | I | 24.3 | Very low | 25 | Very low | 163 Ų | 163 | 118.3 Ų | 118.3 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | trans | -126.6 | 104.8 | 130.8 | -64.1 | -171.3 | 0 | 0 | 0 | 108.6 | ||||
| 476 | T | 22.8 | Very low | 24.5 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 61% | 0.607 | 71% | 0.713 | S | S | * | * | trans | -25.1 | 122.3 | 159.9 | 49.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 477 | T | 26.5 | Very low | 24.4 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | -156 | 87.2 | 115.2 | 29.7 | 0 | 0 | 0 | 0 | 108 | |||||
| 478 | T | 23.6 | Very low | 24.5 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 61% | 0.613 | 72% | 0.715 | S | S | * | * | 91.5 | 133.3 | 71.6 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 479 | I | 25.3 | Very low | 24.6 | Very low | 139 Ų | 139 | 122 Ų | 122 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | trans | 82.8 | 105.2 | 150.4 | -67.9 | 160.7 | 0 | 0 | 0 | 116.8 | ||||
| 480 | N | 25.2 | Very low | 24.7 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | 77.6 | 129.7 | 154.2 | -58.4 | -10.8 | 0 | 0 | 0 | 117.3 | ||||
| 481 | N | 24.2 | Very low | 24.8 | Very low | 140 Ų | 140 | 120.2 Ų | 120.2 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | cis | 65.1 | 157.7 | 41.2 | -62.6 | -24.9 | 0 | 0 | 0 | 113.6 | ||||
| 482 | N | 25.5 | Very low | 24.9 | Very low | 135 Ų | 135 | 124 Ų | 124 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | 68.5 | 91.9 | 172.9 | -56 | -11.5 | 0 | 0 | 0 | 112.2 | ||||
| 483 | S | 24.6 | Very low | 25.1 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | 83.7 | 163.9 | 71.7 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 484 | F | 25.3 | Very low | 25.5 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | trans | 64.4 | 135.7 | -157.2 | -47.7 | -80.1 | 0 | 0 | 0 | 108.9 | ||||
| 485 | G | 24.9 | Very low | 25.7 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | cis | 103.8 | 148.6 | 37.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 486 | D | 26.2 | Very low | 25.9 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | cis | -159.9 | 157.4 | 26.9 | -125.3 | -23.3 | 0 | 0 | 0 | 110.9 | ||||
| 487 | T | 26.2 | Very low | 26.2 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 68% | 0.681 | 70% | 0.699 | S | S | * | * | trans | 67.3 | 156.7 | 147.4 | 67.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 488 | L | 24.8 | Very low | 26.2 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 71% | 0.707 | 69% | 0.693 | S | S | * | * | cis | -159.6 | 150.6 | -20.3 | -111.6 | 167.3 | 0 | 0 | 0 | 109.4 | ||||
| 489 | L | 25.8 | Very low | 26.2 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | trans | 66.7 | 144.5 | 153.2 | -59.3 | 161.1 | 0 | 0 | 0 | 118.5 | ||||
| 490 | S | 24.4 | Very low | 26.2 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | cis | -172.8 | 133.6 | -22 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 491 | S | 24.6 | Very low | 26.1 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | 32.9 | 138.7 | 132.9 | 72.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 492 | K | 26.8 | Very low | 26.3 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | -167.9 | 152.4 | 59.8 | -102.6 | -173.6 | 159.4 | -153.6 | 0 | 114.1 | |||||
| 493 | D | 29.6 | Very low | 26.4 | Very low | 111 Ų | 111 | 126 Ų | 126 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | trans | 66.1 | 136.2 | 141.2 | -54.7 | -10.8 | 0 | 0 | 0 | 118.8 | ||||
| 494 | F | 29.8 | Very low | 26.6 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -154.4 | 148.3 | 7.6 | -135.8 | -134.9 | 0 | 0 | 0 | 113.3 | ||||
| 495 | E | 29.4 | Very low | 26.6 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 39.7 | 118.1 | 154 | -60.2 | 178.8 | 155.6 | 0 | 0 | 121.5 | ||||
| 496 | H | 29 | Very low | 26.7 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 82% | 0.819 | 74% | 0.738 | S | S | * | * | 61.9 | 151.6 | 69.7 | -78.7 | -37.2 | 0 | 0 | 0 | 115.8 | |||||
| 497 | P | 29.5 | Very low | 26.6 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -138.1 | 156 | 23.5 | 42.9 | -25.1 | 0 | 0 | 0 | 119.5 | ||||
| 498 | T | 25.4 | Very low | 26.6 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | 36.7 | 132.8 | 142.9 | 61.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 499 | V | 23.8 | Very low | 26.7 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | cis | 95.6 | 150.6 | 34 | 172.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 500 | T | 25.6 | Very low | 26.6 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 84.1 | 118.4 | 167.1 | 21.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 501 | A | 23.7 | Very low | 26.7 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -84.6 | 162.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 502 | T | 28.6 | Very low | 26.8 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -151.9 | 154.3 | 145.2 | 27.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 503 | S | 26.4 | Very low | 26.8 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -65.4 | 146.4 | 175.2 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 504 | G | 28.4 | Very low | 26.7 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -163.4 | 119.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 505 | N | 26.5 | Very low | 26.8 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -84.3 | 156.2 | -173.7 | -122.8 | 2.2 | 0 | 0 | 0 | 113.3 | ||||
| 506 | V | 25.7 | Very low | 26.8 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | 73.7 | 114.5 | 143.9 | 172 | 0 | 0 | 0 | 0 | 120 | ||||
| 507 | D | 24.4 | Very low | 26.9 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 59.4 | 167.8 | 146 | -66.5 | -28.9 | 0 | 0 | 0 | 122.8 | ||||
| 508 | E | 26.5 | Very low | 26.8 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | 79.9 | 124.4 | 169 | -73.7 | -150.4 | 120 | 0 | 0 | 121.6 | ||||
| 509 | L | 26.3 | Very low | 27 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | 78.1 | 98.6 | 135.6 | -65.2 | 170.6 | 0 | 0 | 0 | 122.5 | ||||
| 510 | V | 25 | Very low | 27.2 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | 76.9 | 95.8 | 111.4 | 166.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 511 | T | 26.1 | Very low | 27.4 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | 79.7 | 153.5 | 118.7 | -49.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 512 | Q | 26.6 | Very low | 27.8 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 91.4 | 133 | 174.5 | -53.3 | -168.4 | 6.5 | 0 | 0 | 115.1 | ||||
| 513 | V | 26.6 | Very low | 28 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | cis | -145.5 | 165 | -2.9 | 112.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 514 | F | 27.6 | Very low | 28 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -141.5 | 174.4 | -162.1 | -146.8 | -77.5 | 0 | 0 | 0 | 111.8 | ||||
| 515 | T | 31.5 | Very low | 28 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | trans | 85.1 | 157.5 | 160 | 77.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 516 | N | 30.3 | Very low | 28.1 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | cis | -172.5 | 167.3 | -28.8 | -94.8 | -17.4 | 0 | 0 | 0 | 109.5 | ||||
| 517 | T | 29.3 | Very low | 28.1 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | -162.4 | 155.3 | 129.6 | 5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 518 | L | 29.5 | Very low | 28.2 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -146.7 | 178.6 | -162 | -115.2 | 170.2 | 0 | 0 | 0 | 114.7 | ||||
| 519 | I | 28.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -84.3 | 147.3 | -174.1 | -60.2 | 162.9 | 0 | 0 | 0 | 111.2 | ||||
| 520 | P | 28.2 | Very low | 28.3 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -93.6 | 143.4 | 179.5 | 35.3 | -34.4 | 0 | 0 | 0 | 115 | ||||
| 521 | S | 30.8 | Very low | 28.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -158.9 | 145.2 | 156.6 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 522 | E | 30.3 | Very low | 28.7 | Very low | 200 Ų | 200 | 140.3 Ų | 140.3 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | trans | -141.9 | 162.2 | 169.4 | -62.1 | -173.8 | 153.9 | 0 | 0 | 106.8 | ||||
| 523 | S | 33.5 | Very low | 28.7 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | cis | -145.3 | 169.7 | 11.8 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 524 | T | 27 | Very low | 28.8 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -95.3 | 175.4 | -177.3 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 525 | V | 27.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | 176.6 | 123.8 | 129.1 | 148.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 526 | N | 28.1 | Very low | 28.7 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 57.5 | 152 | 150.6 | -60.7 | -4.7 | 0 | 0 | 0 | 125.2 | ||||
| 527 | I | 26.2 | Very low | 28.6 | Very low | 157 Ų | 157 | 134 Ų | 134 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -135.3 | 154.2 | -177.3 | -59.3 | 162.4 | 0 | 0 | 0 | 108.6 | ||||
| 528 | P | 27 | Very low | 28.6 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | trans | -131.8 | 155.7 | 135.3 | 37.3 | -28.1 | 0 | 0 | 0 | 113.9 | ||||
| 529 | S | 26.7 | Very low | 28.4 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -103.3 | 162.9 | -172.8 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 530 | N | 28.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 129 Ų | 129 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | 177.3 | 165.3 | 130.2 | -88.4 | -14.3 | 0 | 0 | 0 | 113.4 | ||||
| 531 | N | 31.7 | Very low | 28.3 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | 68.2 | 100.5 | 178 | -52.5 | -16.1 | 0 | 0 | 0 | 114.1 | ||||
| 532 | I | 26.5 | Very low | 28 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | cis | 76.9 | 132.8 | 23.5 | -55.4 | 179.2 | 0 | 0 | 0 | 114.8 | ||||
| 533 | N | 27.2 | Very low | 27.7 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 74.5 | 131.7 | -175.2 | -58.4 | -33.1 | 0 | 0 | 0 | 115.1 | ||||
| 534 | T | 29.2 | Very low | 27.3 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | cis | -133.3 | 124.4 | 0.6 | 34.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 535 | I | 26.5 | Very low | 27.3 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | 73.7 | 121.6 | 81.8 | -66.5 | 171.5 | 0 | 0 | 0 | 113.7 | |||||
| 536 | G | 29.2 | Very low | 27.1 | Very low | 60 Ų | 60 | 123 Ų | 123 | 62% | 0.619 | 74% | 0.74 | S | S | * | * | trans | 139.6 | 48.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 537 | T | 28.2 | Very low | 26.9 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | 55.3 | 131.5 | 96.6 | 63.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 538 | T | 29.1 | Very low | 26.8 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | cis | -168.6 | 136.3 | -3.8 | 21.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 539 | A | 25.2 | Very low | 26.8 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | 48.2 | 126.2 | 81.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 540 | I | 26.8 | Very low | 26.7 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | 176.8 | 146.8 | 85.2 | -89 | 166.7 | 0 | 0 | 0 | 109.7 | |||||
| 541 | N | 28 | Very low | 26.5 | Very low | 149 Ų | 149 | 117.1 Ų | 117.1 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | trans | 62.1 | 164.4 | 162.8 | -69.6 | 0.9 | 0 | 0 | 0 | 121 | ||||
| 542 | S | 26.1 | Very low | 26.2 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | cis | -175.5 | 129.3 | -47.4 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 543 | V | 23.7 | Very low | 26.2 | Very low | 137 Ų | 137 | 114 Ų | 114 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | trans | 24.7 | 111.1 | 156.1 | -171 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 544 | T | 25.1 | Very low | 26.2 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | -178.7 | 135.9 | 124.9 | 32.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 545 | S | 25.9 | Very low | 25.9 | Very low | 106 Ų | 106 | 118.1 Ų | 118.1 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | 46.5 | 112.1 | 148.8 | 63.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 546 | A | 24.3 | Very low | 25.8 | Very low | 66 Ų | 66 | 117.1 Ų | 117.1 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | 77.2 | 128.9 | 114.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 547 | I | 22.6 | Very low | 25.6 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 51% | 0.508 | 72% | 0.721 | S | S | . | * | trans | 78.9 | 118 | 139.9 | -63.6 | 164.9 | 0 | 0 | 0 | 121.4 | F986 | I547-F986 VanDerWaalsContact CA-CB 3.48Å; I547-F986 HydrophobicContact CB-CB 4.29Å; I547-F986 HydrophobicContact CG1-CB 3.88Å; I547-F986 HydrophobicContact CG1-CD2 4.46Å; I547-F986 HydrophobicContact CG1-CG 4.47Å | ||
| 548 | F | 25.2 | Very low | 25.4 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 50% | 0.496 | 72% | 0.723 | S | S | . | * | trans | 54.9 | 151.2 | 166 | -77 | -61.7 | 0 | 0 | 0 | 118.5 | E984 F986 | F548-E984 WeakPolarHBondContact CZ-OE2 3.35Å; F548-F986 HydrophobicContact CB-CE2 4.5Å; F548-F986 HydrophobicContact CB-CZ 4.39Å; F548-F986 HydrophobicContact CD1-CD2 4.32Å; F548-F986 HydrophobicContact CD1-CE1 4.2Å; F548-F986 AromaticContact CD1-CE2 3.29Å; F548-F986 HydrophobicContact CD1-CE2 3.29Å; F548-F986 AromaticContact CD1-CZ 3.22Å; F548-F986 HydrophobicContact CD1-CZ 3.22Å; F548-F986 HydrophobicContact CD2-CD2 4.4Å; F548-F986 HydrophobicContact CD2-CE2 4.01Å; F548-F986 HydrophobicContact CE1-CD2 4.47Å; F548-F986 AromaticContact CE1-CE2 3.32Å; F548-F986 HydrophobicContact CE1-CE2 3.32Å; F548-F986 AromaticContact CE1-CZ 3.55Å; F548-F986 HydrophobicContact CE1-CZ 3.55Å; F548-F986 AromaticContact CE2-CE2 3.99Å; F548-F986 HydrophobicContact CE2-CE2 3.99Å; F548-F986 HydrophobicContact CG-CD2 4.29Å; F548-F986 AromaticContact CG-CE2 3.66Å; F548-F986 HydrophobicContact CG-CE2 3.66Å; F548-F986 AromaticContact CG-CZ 3.84Å; F548-F986 HydrophobicContact CG-CZ 3.84Å; F548-F986 AromaticContact CZ-CE2 3.67Å; F548-F986 HydrophobicContact CZ-CE2 3.67Å; F548-F986 HydrophobicContact CZ-CZ 4.36Å; F548-F986 VanDerWaalsContact N-CD1 3.3Å | ||
| 549 | T | 26.1 | Very low | 25.1 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | cis | -150.8 | 163.7 | 1.9 | 10.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 550 | N | 24.4 | Very low | 25.1 | Very low | 140 Ų | 140 | 123.1 Ų | 123.1 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | 53.3 | 100.1 | 144.7 | -65.5 | -9.9 | 0 | 0 | 0 | 124 | ||||
| 551 | S | 25.6 | Very low | 24.9 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | 37.2 | 129.2 | 118.2 | 68 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 552 | T | 26 | Very low | 24.8 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | -167.9 | 147 | 120.7 | 11 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 553 | S | 26.4 | Very low | 24.8 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | trans | 44.7 | 108.3 | 152.4 | 64.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 554 | N | 26 | Very low | 24.9 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | 168.4 | 96.8 | 93.7 | -88.2 | -39.5 | 0 | 0 | 0 | 113.5 | |||||
| 555 | E | 24.2 | Very low | 25 | Very low | 195 Ų | 195 | 121.5 Ų | 121.5 | 91% | 0.911 | 73% | 0.726 | S | S | * | * | trans | -161.4 | 58 | 142.9 | -122.8 | 173.9 | -139.6 | 0 | 0 | 111.5 | T557 | E555-T557 PolarHBondContact O-N 3.07Å; E555-T557 VanDerWaalsContact O-N 3.09Å | ||
| 556 | C | 24.3 | Very low | 24.9 | Very low | 130 Ų | 130 | 123 Ų | 123 | 88% | 0.878 | 73% | 0.73 | S | S | * | * | trans | -67.6 | 107.8 | 170.2 | -75.6 | 0 | 0 | 0 | 0 | 109.8 | T558 | C556-T558 PolarHBondContact O-N 2.63Š| ||
| 557 | T | 24.8 | Very low | 25.1 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -50 | 128 | 171.9 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | E555 I559 | E555-T557 PolarHBondContact O-N 3.07Å; E555-T557 VanDerWaalsContact O-N 3.09Å; T557-I559 PolarHBondContact O-N 2.95Å | ||
| 558 | T | 23.4 | Very low | 25.3 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -62 | 103.8 | -177.5 | 41.7 | 0 | 0 | 0 | 0 | 112.1 | C556 T560 | C556-T558 PolarHBondContact O-N 2.63Å; T558-T560 PolarHBondContact O-N 2.81Å | ||
| 559 | I | 23.8 | Very low | 25.4 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | -69.2 | 94.2 | 164.6 | -61.2 | 177.7 | 0 | 0 | 0 | 107.6 | T557 T561 | T557-I559 PolarHBondContact O-N 2.95Å; I559-T561 VanDerWaalsContact C-N 3.26Å; I559-T561 HydrophobicContact CG2-CG2 3.91Å; I559-T561 PolarHBondContact O-N 3.35Å | ||
| 560 | T | 23.6 | Very low | 25.3 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -77.5 | 75 | 174.8 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | T558 T562 | T558-T560 PolarHBondContact O-N 2.81Å; T560-T562 PolarHBondContact O-N 3.29Å | ||
| 561 | T | 24.3 | Very low | 25.4 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | -73.4 | 88.5 | 166.9 | 38.1 | 0 | 0 | 0 | 0 | 110.8 | I559 | I559-T561 VanDerWaalsContact C-N 3.26Å; I559-T561 HydrophobicContact CG2-CG2 3.91Å; I559-T561 PolarHBondContact O-N 3.35Å | ||
| 562 | T | 25.8 | Very low | 25.6 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -134.7 | 130.3 | 164.4 | 49.8 | 0 | 0 | 0 | 0 | 109 | T560 | T560-T562 PolarHBondContact O-N 3.29Š| ||
| 563 | S | 24.8 | Very low | 26 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | cis | -154 | 134.6 | 0.5 | 53 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 564 | V | 26.4 | Very low | 26.7 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -112.1 | 119.4 | 151.5 | 176.9 | 0 | 0 | 0 | 0 | 106.5 | T566 | V564-T566 PolarHBondContact O-N 2.77Š| ||
| 565 | T | 26.3 | Very low | 27.4 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | trans | -83.1 | 112.1 | -171.2 | 43.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 566 | T | 25.4 | Very low | 28.3 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | 49 | 105.8 | 138.4 | 57.3 | 0 | 0 | 0 | 0 | 119 | V564 | V564-T566 PolarHBondContact O-N 2.77Š| ||
| 567 | A | 28.1 | Very low | 29.3 | Very low | 102 Ų | 102 | 115.7 Ų | 115.7 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | trans | -121.4 | 155 | 139.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 568 | S | 25.6 | Very low | 30.2 | Very low | 119 Ų | 119 | 110.8 Ų | 110.8 | 83% | 0.832 | 69% | 0.693 | S | S | * | * | trans | -72.9 | 159.9 | -162.4 | -48.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 569 | P | 28.1 | Very low | 31 | Very low | 125 Ų | 125 | 108.3 Ų | 108.3 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | trans | -95.2 | 149.9 | -164.2 | 36.6 | -35.7 | 0 | 0 | 0 | 115.1 | ||||
| 570 | S | 24.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 104.3 Ų | 104.3 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | trans | -171 | 164.7 | 144.6 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 571 | S | 26.9 | Very low | 33.4 | Very low | 120 Ų | 120 | 104.8 Ų | 104.8 | 84% | 0.839 | 67% | 0.674 | S | S | * | * | trans | 66.6 | 129.3 | -175.2 | 69.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 572 | S | 28.7 | Very low | 34.5 | Very low | 92 Ų | 92 | 106.5 Ų | 106.5 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | trans | -70.7 | 150.6 | 161.8 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | D574 | S572-D574 PolarHBondContact O-N 3.21Š| ||
| 573 | P | 35.9 | Very low | 35.6 | Very low | 128 Ų | 128 | 101.2 Ų | 101.2 | 83% | 0.831 | 64% | 0.639 | S | S | * | * | trans | -66.4 | 107.1 | 170.4 | 28.4 | -33.2 | 0 | 0 | 0 | 109.7 | L575 | P573-L575 PolarHBondContact O-N 2.96Å; P573-L575 VanDerWaalsContact O-N 3.13Å | ||
| 574 | D | 40.8 | Very low | 37 | Very low | 123 Ų | 123 | 96.7 Ų | 96.7 | 66% | 0.658 | 61% | 0.608 | S | S | * | * | trans | -63.4 | 114.3 | 175.2 | -105.6 | -50.6 | 0 | 0 | 0 | 110.1 | S572 K630 | S572-D574 PolarHBondContact O-N 3.21Å; D574-K630 IonicContact OD1-NZ 3.17Å | ||
| 575 | L | 40.4 | Very low | 38.2 | Very low | 81 Ų | 81 | 94.3 Ų | 94.3 | 42% | 0.424 | 59% | 0.587 | S | S | . | * | trans | -53.7 | 127.7 | 168.4 | -82.5 | 161.8 | 0 | 0 | 0 | 108.9 | P573 Q577 K630 | P573-L575 PolarHBondContact O-N 2.96Å; P573-L575 VanDerWaalsContact O-N 3.13Å; L575-Q577 PolarHBondContact O-N 2.57Å; L575-Q577 VanDerWaalsContact O-N 3.08Å; L575-K630 HydrophobicContact CB-CB 3.83Å; L575-K630 HydrophobicContact CB-CD 4.37Å | ||
| 576 | P | 42.1 | Very low | 39.4 | Very low | 54 Ų | 54 | 92.9 Ų | 92.9 | 35% | 0.351 | 57% | 0.574 | S | S | . | * | trans | -62.1 | 115.7 | -168.9 | 23.2 | -33.5 | 0 | 0 | 0 | 111.2 | ||||
| 577 | Q | 45.1 | Very low | 40.8 | Very low | 112 Ų | 112 | 86.6 Ų | 86.6 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | B | Isolated β-bridge | trans | -63.8 | 137.3 | 175.8 | -76 | -169.1 | -74.8 | 0 | 0 | 111.5 | L575 G579 S583 K630 I632 | L575-Q577 PolarHBondContact O-N 2.57Å; L575-Q577 VanDerWaalsContact O-N 3.08Å; Q577-G579 PolarHBondContact O-N 3.37Å; Q577-S583 VanDerWaalsContact O-CB 3.3Å; Q577-S583 WeakPolarHBondContact O-CB 3.38Å; Q577-S583 PolarHBondContact O-OG 2.79Å; Q577-K630 HydrophobicContact CG-CD 4.24Å; Q577-I632 HydrophobicContact CB-CD1 3.88Å; Q577-I632 HydrophobicContact CG-CD1 3.96Å |
| 578 | M | 44.5 | Very low | 42 | Very low | 25 Ų | 25 | 82.7 Ų | 82.7 | 12% | 0.123 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 95.1 | 158.9 | -76 | -83 | -166.8 | 0 | 0 | 108.9 | F587 I632 N643 V646 | M578-F587 HydrophobicContact CE-CB 4.44Å; M578-F587 HydrophobicContact CE-CD1 3.71Å; M578-F587 HydrophobicContact CE-CD2 3.48Å; M578-F587 VanDerWaalsContact CE-CD2 3.48Å; M578-F587 HydrophobicContact CE-CE1 3.77Å; M578-F587 HydrophobicContact CE-CE2 3.54Å; M578-F587 HydrophobicContact CE-CG 3.58Å; M578-F587 HydrophobicContact CE-CZ 3.69Å; M578-F587 HydrophobicContact SD-CG 4.45Å; M578-I632 HydrophobicContact CB-CD1 4.35Å; M578-N643 HydrophobicContact CE-CB 4.08Å; M578-N643 WeakPolarHBondContact CG-OD1 3.36Å; M578-V646 HydrophobicContact SD-CB 4.18Å; M578-V646 HydrophobicContact SD-CG1 4.01Å; M578-V646 HydrophobicContact SD-CG2 4.09Å |
| 579 | G | 41 | Very low | 43.2 | Very low | 74 Ų | 74 | 79.4 Ų | 79.4 | 76% | 0.763 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 176.5 | -18.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q577 | Q577-G579 PolarHBondContact O-N 3.37Š|
| 580 | S | 49.3 | Very low | 44.5 | Very low | 59 Ų | 59 | 76.9 Ų | 76.9 | 41% | 0.413 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -112.2 | 152.3 | 172.4 | 83.2 | 0 | 0 | 0 | 0 | 111.3 | K582 S583 A584 | S580-K582 PolarHBondContact O-N 3.37Å; S580-K582 PolarHBondContact OG-N 3.29Å; S580-S583 PolarHBondContact N-OG 3.48Å; S580-S583 PolarHBondContact O-N 3.27Å; S580-S583 PolarHBondContact O-OG 2.95Å; S580-S583 WeakPolarHBondContact OG-CB 3.33Å; S580-S583 PolarHBondContact OG-N 3.48Å; S580-S583 PolarHBondContact OG-OG 3.1Å; S580-A584 WeakPolarHBondContact O-CB 3.29Å; S580-A584 PolarHBondContact O-N 3.44Å |
| 581 | L | 48.3 | Very low | 45.9 | Very low | 126 Ų | 126 | 71.8 Ų | 71.8 | 66% | 0.66 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.5 | -35.8 | 174.8 | -161.9 | 82.4 | 0 | 0 | 0 | 111.5 | Q585 F650 | L581-Q585 VanDerWaalsContact O-CG 3.31Å; L581-Q585 WeakPolarHBondContact O-CG 3.33Å; L581-Q585 PolarHBondContact O-N 2.84Å; L581-F650 HydrophobicContact CD1-CE1 4.14Å; L581-F650 HydrophobicContact CD1-CE2 4.43Å; L581-F650 HydrophobicContact CD1-CZ 3.55Å; L581-F650 HydrophobicContact CG-CE1 4.36Å; L581-F650 HydrophobicContact CG-CZ 3.91Å |
| 582 | K | 46 | Very low | 47.1 | Very low | 161 Ų | 161 | 69.2 Ų | 69.2 | 70% | 0.7 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -77 | -39.6 | -175.2 | -138.9 | 170.2 | -174.4 | 178.3 | 0 | 112.5 | S580 Q585 L586 | S580-K582 PolarHBondContact O-N 3.37Å; S580-K582 PolarHBondContact OG-N 3.29Å; K582-Q585 PolarHBondContact O-N 3.04Å; K582-L586 PolarHBondContact O-N 3.05Å; K582-L586 VanDerWaalsContact O-N 3.12Å |
| 583 | S | 50.6 | Low | 48.2 | Very low | 15 Ų | 15 | 67.6 Ų | 67.6 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.8 | -34 | 172.6 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | Q577 S580 L586 F587 | Q577-S583 VanDerWaalsContact O-CB 3.3Å; Q577-S583 WeakPolarHBondContact O-CB 3.38Å; Q577-S583 PolarHBondContact O-OG 2.79Å; S580-S583 PolarHBondContact N-OG 3.48Å; S580-S583 PolarHBondContact O-N 3.27Å; S580-S583 PolarHBondContact O-OG 2.95Å; S580-S583 WeakPolarHBondContact OG-CB 3.33Å; S580-S583 PolarHBondContact OG-N 3.48Å; S580-S583 PolarHBondContact OG-OG 3.1Å; S583-L586 PolarHBondContact O-N 3.1Å; S583-F587 WeakPolarHBondContact O-CB 3.36Å; S583-F587 PolarHBondContact O-N 3.01Å |
| 584 | A | 52.4 | Low | 49 | Very low | 4 Ų | 4 | 64.7 Ų | 64.7 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.5 | -35.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S580 F587 V588 V646 F650 | S580-A584 WeakPolarHBondContact O-CB 3.29Å; S580-A584 PolarHBondContact O-N 3.44Å; A584-F587 PolarHBondContact O-N 3.08Å; A584-V588 WeakPolarHBondContact O-CB 3.49Å; A584-V588 WeakPolarHBondContact O-CG2 3.26Å; A584-V588 PolarHBondContact O-N 2.75Å; A584-V646 HydrophobicContact CB-CG1 3.55Å; A584-F650 HydrophobicContact CB-CD2 3.96Å; A584-F650 HydrophobicContact CB-CE2 3.22Å; A584-F650 HydrophobicContact CB-CZ 3.69Å |
| 585 | Q | 51.9 | Low | 49.5 | Very low | 103 Ų | 103 | 59.1 Ų | 59.1 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 169 | -78.9 | 174.3 | -34.5 | 0 | 0 | 112 | L581 K582 V588 S589 F650 | L581-Q585 VanDerWaalsContact O-CG 3.31Å; L581-Q585 WeakPolarHBondContact O-CG 3.33Å; L581-Q585 PolarHBondContact O-N 2.84Å; K582-Q585 PolarHBondContact O-N 3.04Å; Q585-V588 PolarHBondContact O-N 3.27Å; Q585-S589 PolarHBondContact O-N 2.89Å; Q585-F650 HydrophobicContact CG-CD1 4.31Å; Q585-F650 HydrophobicContact CG-CE1 3.56Å; Q585-F650 HydrophobicContact CG-CZ 4.19Å |
| 586 | L | 52.4 | Low | 49.9 | Very low | 82 Ų | 82 | 61.4 Ų | 61.4 | 43% | 0.429 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 174.6 | -81.9 | 161.7 | 0 | 0 | 0 | 112.3 | K582 S583 V588 S589 Q590 | K582-L586 PolarHBondContact O-N 3.05Å; K582-L586 VanDerWaalsContact O-N 3.12Å; S583-L586 PolarHBondContact O-N 3.1Å; L586-V588 PolarHBondContact O-N 3.17Å; L586-S589 PolarHBondContact O-N 3.38Å; L586-S589 PolarHBondContact O-OG 3.33Å; L586-Q590 VanDerWaalsContact O-CB 3.25Å; L586-Q590 WeakPolarHBondContact O-CB 3.42Å; L586-Q590 VanDerWaalsContact O-CG 3.26Å; L586-Q590 WeakPolarHBondContact O-CG 3.47Å; L586-Q590 PolarHBondContact O-N 3.09Å |
| 587 | F | 53.6 | Low | 50.1 | Low | 5 Ų | 5 | 66.7 Ų | 66.7 | 2% | 0.022 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 173.7 | 176.6 | -96.5 | 0 | 0 | 0 | 111 | M578 S583 A584 A591 Y629 L655 W659 | M578-F587 HydrophobicContact CE-CB 4.44Å; M578-F587 HydrophobicContact CE-CD1 3.71Å; M578-F587 HydrophobicContact CE-CD2 3.48Å; M578-F587 VanDerWaalsContact CE-CD2 3.48Å; M578-F587 HydrophobicContact CE-CE1 3.77Å; M578-F587 HydrophobicContact CE-CE2 3.54Å; M578-F587 HydrophobicContact CE-CG 3.58Å; M578-F587 HydrophobicContact CE-CZ 3.69Å; M578-F587 HydrophobicContact SD-CG 4.45Å; S583-F587 WeakPolarHBondContact O-CB 3.36Å; S583-F587 PolarHBondContact O-N 3.01Å; A584-F587 PolarHBondContact O-N 3.08Å; F587-A591 HydrophobicContact CD2-CB 4.35Å; F587-A591 HydrophobicContact CE1-CB 4.19Å; F587-A591 HydrophobicContact CE2-CB 4.01Å; F587-A591 HydrophobicContact CZ-CB 3.92Å; F587-A591 WeakPolarHBondContact O-CA 3.48Å; F587-A591 WeakPolarHBondContact O-CB 3.23Å; F587-A591 PolarHBondContact O-N 3.15Å; F587-Y629 HydrophobicContact CB-CE1 4.45Å; F587-Y629 AromaticContact CD2-CD1 3.83Å; F587-Y629 HydrophobicContact CD2-CD1 3.83Å; F587-Y629 AromaticContact CD2-CD2 3.86Å; F587-Y629 HydrophobicContact CD2-CD2 3.86Å; F587-Y629 AromaticContact CD2-CE1 3.8Å; F587-Y629 HydrophobicContact CD2-CE1 3.8Å; F587-Y629 AromaticContact CD2-CE2 3.8Å; F587-Y629 HydrophobicContact CD2-CE2 3.8Å; F587-Y629 AromaticContact CD2-CG 3.89Å; F587-Y629 HydrophobicContact CD2-CG 3.89Å; F587-Y629 AromaticContact CD2-CZ 3.8Å; F587-Y629 AromaticContact CE2-CD2 3.81Å; F587-Y629 HydrophobicContact CE2-CD2 3.81Å; F587-Y629 AromaticContact CE2-CE2 3.87Å; F587-Y629 HydrophobicContact CE2-CE2 3.87Å; F587-Y629 HydrophobicContact CE2-CG 4.19Å; F587-L655 HydrophobicContact CE1-CD1 4.31Å; F587-W659 HydrophobicContact CE2-CZ2 4.42Å; F587-W659 AromaticContact CZ-CZ2 3.97Å; F587-W659 HydrophobicContact CZ-CZ2 3.97Å; F587-W659 AromaticContact CZ-NE1 3.72Å |
| 588 | V | 54.2 | Low | 50.4 | Low | 19 Ų | 19 | 65.6 Ų | 65.6 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 179.9 | 166.1 | 0 | 0 | 0 | 0 | 112.1 | A584 Q585 L586 H592 F650 Q652 L655 | A584-V588 WeakPolarHBondContact O-CB 3.49Å; A584-V588 WeakPolarHBondContact O-CG2 3.26Å; A584-V588 PolarHBondContact O-N 2.75Å; Q585-V588 PolarHBondContact O-N 3.27Å; L586-V588 PolarHBondContact O-N 3.17Å; V588-H592 WeakPolarHBondContact O-CB 3.48Å; V588-H592 PolarHBondContact O-N 2.81Å; V588-H592 VanDerWaalsContact O-N 3.1Å; V588-F650 HydrophobicContact CG2-CB 3.83Å; V588-F650 HydrophobicContact CG2-CG 4.18Å; V588-Q652 HydrophobicContact CG1-CG 3.66Å; V588-Q652 HydrophobicContact CG2-CG 4.02Å; V588-L655 HydrophobicContact CG2-CD1 4.49Å |
| 589 | S | 51.6 | Low | 50.2 | Low | 50 Ų | 50 | 67.4 Ų | 67.4 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 179.6 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | Q585 L586 S593 | Q585-S589 PolarHBondContact O-N 2.89Å; L586-S589 PolarHBondContact O-N 3.38Å; L586-S589 PolarHBondContact O-OG 3.33Å; S589-S593 WeakPolarHBondContact O-CB 3.49Å; S589-S593 PolarHBondContact O-N 3.22Å; S589-S593 VanDerWaalsContact O-N 3.09Å |
| 590 | Q | 53.9 | Low | 50.3 | Low | 73 Ų | 73 | 68.1 Ų | 68.1 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.6 | -45 | -176.9 | -67.8 | 173 | -14 | 0 | 0 | 112.8 | L586 S593 L594 Y629 | L586-Q590 VanDerWaalsContact O-CB 3.25Å; L586-Q590 WeakPolarHBondContact O-CB 3.42Å; L586-Q590 VanDerWaalsContact O-CG 3.26Å; L586-Q590 WeakPolarHBondContact O-CG 3.47Å; L586-Q590 PolarHBondContact O-N 3.09Å; Q590-S593 WeakPolarHBondContact O-CB 3.44Å; Q590-S593 PolarHBondContact O-N 3.49Å; Q590-S593 VanDerWaalsContact O-N 3.12Å; Q590-L594 WeakPolarHBondContact O-CG 3.25Å; Q590-L594 PolarHBondContact O-N 3.44Å; Q590-Y629 WeakPolarHBondContact CB-OH 3.31Å; Q590-Y629 PolarHBondContact OE1-OH 3.19Å |
| 591 | A | 53.9 | Low | 50 | Low | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F587 S593 L594 L595 | F587-A591 HydrophobicContact CD2-CB 4.35Å; F587-A591 HydrophobicContact CE1-CB 4.19Å; F587-A591 HydrophobicContact CE2-CB 4.01Å; F587-A591 HydrophobicContact CZ-CB 3.92Å; F587-A591 WeakPolarHBondContact O-CA 3.48Å; F587-A591 WeakPolarHBondContact O-CB 3.23Å; F587-A591 PolarHBondContact O-N 3.15Å; A591-S593 VanDerWaalsContact C-N 3.25Å; A591-S593 PolarHBondContact O-N 2.98Å; A591-L594 PolarHBondContact O-N 2.99Å; A591-L595 HydrophobicContact CB-CD1 4.4Å; A591-L595 WeakPolarHBondContact O-CB 3.39Å; A591-L595 WeakPolarHBondContact O-CD1 3.45Å; A591-L595 VanDerWaalsContact O-CG 3.25Å; A591-L595 WeakPolarHBondContact O-CG 3.36Å; A591-L595 PolarHBondContact O-N 2.86Å |
| 592 | H | 53.3 | Low | 49.9 | Very low | 66 Ų | 66 | 62.3 Ų | 62.3 | 31% | 0.306 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.3 | -28.9 | 172.4 | -171.8 | -55.2 | 0 | 0 | 0 | 112 | V588 F596 | V588-H592 WeakPolarHBondContact O-CB 3.48Å; V588-H592 PolarHBondContact O-N 2.81Å; V588-H592 VanDerWaalsContact O-N 3.1Å; H592-F596 AromaticContact CE1-CD2 3.58Å; H592-F596 AromaticContact CE1-CE2 3.77Å; H592-F596 AromaticContact ND1-CD2 3.83Å; H592-F596 WeakPolarHBondContact O-CB 3.45Å; H592-F596 PolarHBondContact O-N 3.23Å |
| 593 | S | 51.8 | Low | 49.9 | Very low | 59 Ų | 59 | 59.5 Ų | 59.5 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.3 | -50.7 | 173.7 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | S589 Q590 A591 L595 F596 | S589-S593 WeakPolarHBondContact O-CB 3.49Å; S589-S593 PolarHBondContact O-N 3.22Å; S589-S593 VanDerWaalsContact O-N 3.09Å; Q590-S593 WeakPolarHBondContact O-CB 3.44Å; Q590-S593 PolarHBondContact O-N 3.49Å; Q590-S593 VanDerWaalsContact O-N 3.12Å; A591-S593 VanDerWaalsContact C-N 3.25Å; A591-S593 PolarHBondContact O-N 2.98Å; S593-L595 PolarHBondContact O-N 3.03Å; S593-F596 WeakPolarHBondContact O-CB 3.35Å; S593-F596 PolarHBondContact O-N 3.48Å |
| 594 | L | 52.5 | Low | 49.8 | Very low | 67 Ų | 67 | 61.5 Ų | 61.5 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 178.4 | -70.6 | 167.6 | 0 | 0 | 0 | 112.4 | Q590 A591 F596 Y598 | Q590-L594 WeakPolarHBondContact O-CG 3.25Å; Q590-L594 PolarHBondContact O-N 3.44Å; A591-L594 PolarHBondContact O-N 2.99Å; L594-F596 VanDerWaalsContact C-N 3.32Å; L594-Y598 WeakPolarHBondContact O-CD2 3.46Å |
| 595 | L | 51.6 | Low | 49.4 | Very low | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.8 | -16.1 | 178.7 | -65.6 | 162.9 | 0 | 0 | 0 | 112.9 | A591 S593 H597 Y598 K599 L602 L621 F654 L655 | A591-L595 HydrophobicContact CB-CD1 4.4Å; A591-L595 WeakPolarHBondContact O-CB 3.39Å; A591-L595 WeakPolarHBondContact O-CD1 3.45Å; A591-L595 VanDerWaalsContact O-CG 3.25Å; A591-L595 WeakPolarHBondContact O-CG 3.36Å; A591-L595 PolarHBondContact O-N 2.86Å; S593-L595 PolarHBondContact O-N 3.03Å; L595-H597 VanDerWaalsContact C-N 3.31Å; L595-H597 PolarHBondContact O-N 3.05Å; L595-Y598 CarbonylContact O-C 3.54Å; L595-Y598 PolarHBondContact O-N 3.41Å; L595-K599 PolarHBondContact O-N 3.24Å; L595-K599 VanDerWaalsContact O-N 3.09Å; L595-L602 HydrophobicContact CB-CD1 4.14Å; L595-L602 HydrophobicContact CD2-CD1 3.62Å; L595-L602 HydrophobicContact CG-CD1 4.49Å; L595-L621 HydrophobicContact CD2-CD1 3.86Å; L595-L621 HydrophobicContact CD2-CD2 3.98Å; L595-L621 HydrophobicContact CD2-CG 4.32Å; L595-F654 HydrophobicContact CB-CE1 4.2Å; L595-F654 HydrophobicContact CD1-CE1 4.41Å; L595-L655 HydrophobicContact CD1-CD2 3.34Å |
| 596 | F | 48.1 | Very low | 48.9 | Very low | 129 Ų | 129 | 61.3 Ų | 61.3 | 57% | 0.566 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.5 | -37.8 | 173.9 | -142.6 | -102.7 | 0 | 0 | 0 | 111.6 | H592 S593 L594 Y598 K599 | H592-F596 AromaticContact CE1-CD2 3.58Å; H592-F596 AromaticContact CE1-CE2 3.77Å; H592-F596 AromaticContact ND1-CD2 3.83Å; H592-F596 WeakPolarHBondContact O-CB 3.45Å; H592-F596 PolarHBondContact O-N 3.23Å; S593-F596 WeakPolarHBondContact O-CB 3.35Å; S593-F596 PolarHBondContact O-N 3.48Å; L594-F596 VanDerWaalsContact C-N 3.32Å; F596-Y598 PolarHBondContact O-N 3.42Å; F596-K599 HydrophobicContact CE2-CD 4.48Å; F596-K599 WeakPolarHBondContact O-CB 3.48Å; F596-K599 PolarHBondContact O-N 3.14Å; F596-K599 VanDerWaalsContact O-N 3.15Å |
| 597 | H | 47.2 | Very low | 48.6 | Very low | 164 Ų | 164 | 60.7 Ų | 60.7 | 76% | 0.759 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.1 | 174.8 | -83.8 | -80.8 | 0 | 0 | 0 | 113.2 | L595 | L595-H597 VanDerWaalsContact C-N 3.31Å; L595-H597 PolarHBondContact O-N 3.05Å |
| 598 | Y | 49.8 | Very low | 47.7 | Very low | 90 Ų | 90 | 66 Ų | 66 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 7.9 | 177 | -67 | -81.2 | 0 | 0 | 0 | 113.1 | L594 L595 F596 C601 L602 L621 | L594-Y598 WeakPolarHBondContact O-CD2 3.46Å; L595-Y598 CarbonylContact O-C 3.54Å; L595-Y598 PolarHBondContact O-N 3.41Å; F596-Y598 PolarHBondContact O-N 3.42Å; Y598-C601 CarbonylContact O-C 3.53Å; Y598-C601 PolarHBondContact O-N 3.18Å; Y598-C601 VanDerWaalsContact O-N 3.08Å; Y598-L602 WeakPolarHBondContact O-CB 3.27Å; Y598-L602 WeakPolarHBondContact O-CG 3.48Å; Y598-L602 PolarHBondContact O-N 2.77Å; Y598-L621 HydrophobicContact CD2-CD1 4.12Å; Y598-L621 HydrophobicContact CE2-CD1 4.34Å |
| 599 | K | 41.9 | Very low | 47 | Very low | 62 Ų | 62 | 71.8 Ų | 71.8 | 27% | 0.27 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -52.8 | -45.5 | -174.8 | -170.1 | -177.9 | 178.7 | -81.6 | 0 | 113.3 | L595 F596 C601 L602 E603 | L595-K599 PolarHBondContact O-N 3.24Å; L595-K599 VanDerWaalsContact O-N 3.09Å; F596-K599 HydrophobicContact CE2-CD 4.48Å; F596-K599 WeakPolarHBondContact O-CB 3.48Å; F596-K599 PolarHBondContact O-N 3.14Å; F596-K599 VanDerWaalsContact O-N 3.15Å; K599-C601 PolarHBondContact O-N 3.23Å; K599-L602 PolarHBondContact O-N 2.77Å; K599-E603 VanDerWaalsContact CE-OE1 3.28Å; K599-E603 WeakPolarHBondContact CE-OE1 3.21Å; K599-E603 HydrophobicContact CG-CG 4.43Å; K599-E603 IonicContact NZ-OE1 2.83Å; K599-E603 PolarHBondContact NZ-OE1 3.35Å; K599-E603 IonicContact NZ-OE2 2.69Å; K599-E603 PolarHBondContact NZ-OE2 3.1Å; K599-E603 WeakPolarHBondContact O-CG 3.34Å; K599-E603 PolarHBondContact O-N 3.22Å |
| 600 | P | 42.4 | Very low | 46.4 | Very low | 90 Ų | 90 | 71.8 Ų | 71.8 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 177.2 | -21.8 | 34.3 | 0 | 0 | 0 | 112.5 | L602 E603 T604 | P600-L602 VanDerWaalsContact C-N 3.29Å; P600-L602 PolarHBondContact O-N 2.83Å; P600-E603 PolarHBondContact O-N 3.36Å; P600-T604 PolarHBondContact O-N 3.12Å; P600-T604 PolarHBondContact O-OG1 3.37Å |
| 601 | C | 43 | Very low | 45.5 | Very low | 52 Ų | 52 | 75.8 Ų | 75.8 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.7 | -25.4 | 179.4 | -48.3 | 0 | 0 | 0 | 0 | 113.1 | Y598 K599 T604 I605 L617 | Y598-C601 CarbonylContact O-C 3.53Å; Y598-C601 PolarHBondContact O-N 3.18Å; Y598-C601 VanDerWaalsContact O-N 3.08Å; K599-C601 PolarHBondContact O-N 3.23Å; C601-T604 WeakPolarHBondContact CA-OG1 3.46Å; C601-T604 PolarHBondContact O-OG1 2.99Å; C601-I605 WeakPolarHBondContact O-CD1 3.44Å; C601-I605 VanDerWaalsContact O-CG1 3.27Å; C601-I605 WeakPolarHBondContact O-CG1 3.38Å; C601-I605 PolarHBondContact O-N 2.83Å; C601-L617 HydrophobicContact CB-CD1 4.37Å |
| 602 | L | 46.3 | Very low | 44.9 | Very low | 11 Ų | 11 | 82.6 Ų | 82.6 | 6% | 0.058 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -83.6 | -26.9 | 175.8 | -73.9 | 161.3 | 0 | 0 | 0 | 111.9 | L595 Y598 K599 P600 I605 F606 L621 F654 | L595-L602 HydrophobicContact CB-CD1 4.14Å; L595-L602 HydrophobicContact CD2-CD1 3.62Å; L595-L602 HydrophobicContact CG-CD1 4.49Å; Y598-L602 WeakPolarHBondContact O-CB 3.27Å; Y598-L602 WeakPolarHBondContact O-CG 3.48Å; Y598-L602 PolarHBondContact O-N 2.77Å; K599-L602 PolarHBondContact O-N 2.77Å; P600-L602 VanDerWaalsContact C-N 3.29Å; P600-L602 PolarHBondContact O-N 2.83Å; L602-I605 HydrophobicContact CD2-CD1 4.19Å; L602-I605 PolarHBondContact O-N 3.32Å; L602-F606 WeakPolarHBondContact O-CD2 3.38Å; L602-F606 WeakPolarHBondContact O-CE2 3.37Å; L602-L621 HydrophobicContact CD2-CD2 4.47Å; L602-F654 HydrophobicContact CB-CE2 4.44Å; L602-F654 HydrophobicContact CB-CZ 4.05Å; L602-F654 HydrophobicContact CD1-CZ 3.94Å |
| 603 | E | 46.6 | Very low | 44.3 | Very low | 101 Ų | 101 | 84 Ų | 84 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.1 | -34.5 | 173 | -73.8 | 177.1 | 146 | 0 | 0 | 111.4 | K599 P600 F606 | K599-E603 VanDerWaalsContact CE-OE1 3.28Å; K599-E603 WeakPolarHBondContact CE-OE1 3.21Å; K599-E603 HydrophobicContact CG-CG 4.43Å; K599-E603 IonicContact NZ-OE1 2.83Å; K599-E603 PolarHBondContact NZ-OE1 3.35Å; K599-E603 IonicContact NZ-OE2 2.69Å; K599-E603 PolarHBondContact NZ-OE2 3.1Å; K599-E603 WeakPolarHBondContact O-CG 3.34Å; K599-E603 PolarHBondContact O-N 3.22Å; P600-E603 PolarHBondContact O-N 3.36Å; E603-F606 PolarHBondContact O-N 2.89Å |
| 604 | T | 46.7 | Very low | 43.7 | Very low | 57 Ų | 57 | 82.7 Ų | 82.7 | 35% | 0.35 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.5 | -32.2 | 169.1 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | P600 C601 F606 Q607 | P600-T604 PolarHBondContact O-N 3.12Å; P600-T604 PolarHBondContact O-OG1 3.37Å; C601-T604 WeakPolarHBondContact CA-OG1 3.46Å; C601-T604 PolarHBondContact O-OG1 2.99Å; T604-F606 PolarHBondContact O-N 3.42Å; T604-F606 VanDerWaalsContact O-N 3.12Å; T604-Q607 PolarHBondContact O-N 2.88Å; T604-Q607 VanDerWaalsContact O-N 3.1Å |
| 605 | I | 44.2 | Very low | 43.4 | Very low | 39 Ų | 39 | 85.6 Ų | 85.6 | 20% | 0.2 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.7 | 174.5 | -75.6 | 166.4 | 0 | 0 | 0 | 113.2 | C601 L602 L661 | C601-I605 WeakPolarHBondContact O-CD1 3.44Å; C601-I605 VanDerWaalsContact O-CG1 3.27Å; C601-I605 WeakPolarHBondContact O-CG1 3.38Å; C601-I605 PolarHBondContact O-N 2.83Å; L602-I605 HydrophobicContact CD2-CD1 4.19Å; L602-I605 PolarHBondContact O-N 3.32Å; I605-L661 HydrophobicContact CG2-CD2 3.54Å |
| 606 | F | 42.9 | Very low | 43.3 | Very low | 64 Ų | 64 | 88.6 Ų | 88.6 | 28% | 0.281 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 5.6 | 174.9 | -63.6 | -59.4 | 0 | 0 | 0 | 114.7 | L602 E603 T604 F654 R657 L661 | L602-F606 WeakPolarHBondContact O-CD2 3.38Å; L602-F606 WeakPolarHBondContact O-CE2 3.37Å; E603-F606 PolarHBondContact O-N 2.89Å; T604-F606 PolarHBondContact O-N 3.42Å; T604-F606 VanDerWaalsContact O-N 3.12Å; F606-F654 HydrophobicContact CE2-CE2 4.13Å; F606-R657 HydrophobicContact CD1-CG 4.48Å; F606-R657 HydrophobicContact CE1-CB 4.44Å; F606-R657 HydrophobicContact CE1-CG 3.74Å; F606-R657 HydrophobicContact CZ-CB 4.28Å; F606-R657 HydrophobicContact CZ-CG 4.04Å; F606-L661 HydrophobicContact CE1-CD2 4.46Å |
| 607 | Q | 44.4 | Very low | 43.4 | Very low | 70 Ų | 70 | 86 Ų | 86 | 33% | 0.327 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -76 | 143.6 | 171.8 | -74.4 | -152.4 | 27.4 | 0 | 0 | 112.1 | T604 N609 E979 | T604-Q607 PolarHBondContact O-N 2.88Å; T604-Q607 VanDerWaalsContact O-N 3.1Å; Q607-N609 VanDerWaalsContact C-N 3.25Å; Q607-N609 PolarHBondContact O-N 2.88Å; Q607-E979 PolarHBondContact NE2-OE1 2.85Å; Q607-E979 VanDerWaalsContact NE2-OE1 3.13Å |
| 608 | P | 35.8 | Very low | 43.7 | Very low | 115 Ų | 115 | 78.9 Ų | 78.9 | 75% | 0.747 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -17.3 | -176.7 | -21.9 | 34 | 0 | 0 | 0 | 116.2 | ||
| 609 | N | 38.9 | Very low | 43.8 | Very low | 142 Ų | 142 | 77.3 Ų | 77.3 | 76% | 0.759 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 2.5 | -165.5 | -63 | -14.4 | 0 | 0 | 0 | 114.2 | Q607 | Q607-N609 VanDerWaalsContact C-N 3.25Å; Q607-N609 PolarHBondContact O-N 2.88Å |
| 610 | Y | 38.6 | Very low | 44.4 | Very low | 50 Ų | 50 | 79.2 Ų | 79.2 | 20% | 0.196 | 43% | 0.43 | C | S | . | . | trans | -111.3 | 85.1 | -170.9 | -94.9 | -125.2 | 0 | 0 | 0 | 111.5 | L981 | Y610-L981 HydrophobicContact CD1-CD1 4.44Å; Y610-L981 HydrophobicContact CE1-CD1 3.74Å; Y610-L981 HydrophobicContact CE1-CD2 3.96Å; Y610-L981 HydrophobicContact CE1-CG 4.17Å | ||
| 611 | F | 36.8 | Very low | 45.1 | Very low | 156 Ų | 156 | 75.8 Ų | 75.8 | 68% | 0.684 | 41% | 0.407 | S | S | * | . | trans | -96.4 | -36.1 | 179.3 | -103.5 | -88.8 | 0 | 0 | 0 | 114.3 | F613 T614 | F611-F613 PolarHBondContact O-N 3.24Å; F611-T614 WeakPolarHBondContact O-CB 3.49Å; F611-T614 WeakPolarHBondContact O-CG2 3.49Å; F611-T614 PolarHBondContact O-N 2.85Å; F611-T614 VanDerWaalsContact O-N 3.15Å; F611-T614 PolarHBondContact O-OG1 3.33Å | ||
| 612 | D | 40.6 | Very low | 46 | Very low | 144 Ų | 144 | 75.6 Ų | 75.6 | 77% | 0.77 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -37.3 | -168.3 | -57.1 | -64 | 0 | 0 | 0 | 113.7 | T614 | D612-T614 PolarHBondContact O-N 3.03Å; D612-T614 VanDerWaalsContact O-N 3.15Å |
| 613 | F | 39.4 | Very low | 46.8 | Very low | 96 Ų | 96 | 78.8 Ų | 78.8 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.6 | 178 | -95.3 | -95.9 | 0 | 0 | 0 | 114.9 | F611 N615 L981 P982 | F611-F613 PolarHBondContact O-N 3.24Å; F613-N615 VanDerWaalsContact C-N 3.33Å; F613-N615 PolarHBondContact O-N 2.83Å; F613-L981 HydrophobicContact CD2-CD1 4.35Å; F613-L981 HydrophobicContact CD2-CD2 4.38Å; F613-L981 HydrophobicContact CE2-CD1 4.18Å; F613-L981 HydrophobicContact CE2-CD2 3.83Å; F613-L981 HydrophobicContact CE2-CG 4.5Å; F613-L981 HydrophobicContact CZ-CD2 4.27Å; F613-P982 HydrophobicContact CZ-CG 4.18Å |
| 614 | T | 40.7 | Very low | 47.3 | Very low | 32 Ų | 32 | 77 Ų | 77 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.9 | -23.4 | -175 | 63 | 0 | 0 | 0 | 0 | 113.7 | F611 D612 L618 | F611-T614 WeakPolarHBondContact O-CB 3.49Å; F611-T614 WeakPolarHBondContact O-CG2 3.49Å; F611-T614 PolarHBondContact O-N 2.85Å; F611-T614 VanDerWaalsContact O-N 3.15Å; F611-T614 PolarHBondContact O-OG1 3.33Å; D612-T614 PolarHBondContact O-N 3.03Å; D612-T614 VanDerWaalsContact O-N 3.15Å; T614-L618 WeakPolarHBondContact O-CB 3.47Å |
| 615 | N | 45.3 | Very low | 47.9 | Very low | 127 Ų | 127 | 74.6 Ų | 74.6 | 68% | 0.679 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -78.4 | -30.9 | -173.5 | -71.6 | -51.6 | 0 | 0 | 0 | 114.3 | F613 P619 | F613-N615 VanDerWaalsContact C-N 3.33Å; F613-N615 PolarHBondContact O-N 2.83Å; N615-P619 WeakPolarHBondContact O-CD 3.4Å |
| 616 | A | 49.2 | Very low | 48.6 | Very low | 70 Ų | 70 | 75 Ų | 75 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -81.3 | -45.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 617 | L | 50.4 | Low | 49.3 | Very low | 73 Ų | 73 | 79.2 Ų | 79.2 | 38% | 0.382 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -87.7 | -23.9 | -170.2 | -71.2 | 166 | 0 | 0 | 0 | 114.2 | C601 L621 | C601-L617 HydrophobicContact CB-CD1 4.37Å; L617-L621 PolarHBondContact O-N 2.85Å |
| 618 | L | 54 | Low | 49.7 | Very low | 16 Ų | 16 | 79.2 Ų | 79.2 | 8% | 0.084 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.5 | -39.7 | -173.4 | -161.2 | 65.8 | 0 | 0 | 0 | 114.1 | T614 L621 I622 L662 I665 Y666 | T614-L618 WeakPolarHBondContact O-CB 3.47Å; L618-L621 PolarHBondContact O-N 2.95Å; L618-I622 HydrophobicContact CG-CD1 4.16Å; L618-I622 VanDerWaalsContact O-CG1 3.3Å; L618-I622 WeakPolarHBondContact O-CG1 3.24Å; L618-I622 PolarHBondContact O-N 2.91Å; L618-L662 HydrophobicContact CD1-CD2 4.02Å; L618-L662 HydrophobicContact CD2-CD2 4.29Å; L618-L662 HydrophobicContact CG-CD2 4.27Å; L618-I665 HydrophobicContact CD2-CD1 3.63Å; L618-I665 HydrophobicContact CD2-CG2 4.11Å; L618-Y666 HydrophobicContact CD2-CE2 3.74Å; L618-Y666 HydrophobicContact CG-CE2 4.38Å |
| 619 | P | 51.9 | Low | 50.6 | Low | 57 Ų | 57 | 74.3 Ų | 74.3 | 37% | 0.37 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.4 | -23.8 | 35.2 | 0 | 0 | 0 | 113.1 | N615 L621 I622 I623 | N615-P619 WeakPolarHBondContact O-CD 3.4Å; P619-L621 VanDerWaalsContact C-N 3.33Å; P619-L621 PolarHBondContact O-N 2.92Å; P619-I622 PolarHBondContact O-N 2.82Å; P619-I623 VanDerWaalsContact O-CG1 3.29Å; P619-I623 WeakPolarHBondContact O-CG1 3.25Å; P619-I623 PolarHBondContact O-N 3.43Å |
| 620 | D | 54.5 | Low | 51.5 | Low | 102 Ų | 102 | 71.6 Ų | 71.6 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 179.8 | -85 | -23.2 | 0 | 0 | 0 | 112.2 | I623 L624 | D620-I623 PolarHBondContact O-N 2.79Å; D620-L624 WeakPolarHBondContact O-CB 3.26Å; D620-L624 PolarHBondContact O-N 2.92Å |
| 621 | L | 58 | Low | 52.5 | Low | 18 Ų | 18 | 72.2 Ų | 72.2 | 9% | 0.094 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 174.3 | -164.7 | 71.7 | 0 | 0 | 0 | 111.7 | L595 Y598 L602 L617 L618 P619 L624 L625 F658 | L595-L621 HydrophobicContact CD2-CD1 3.86Å; L595-L621 HydrophobicContact CD2-CD2 3.98Å; L595-L621 HydrophobicContact CD2-CG 4.32Å; Y598-L621 HydrophobicContact CD2-CD1 4.12Å; Y598-L621 HydrophobicContact CE2-CD1 4.34Å; L602-L621 HydrophobicContact CD2-CD2 4.47Å; L617-L621 PolarHBondContact O-N 2.85Å; L618-L621 PolarHBondContact O-N 2.95Å; P619-L621 VanDerWaalsContact C-N 3.33Å; P619-L621 PolarHBondContact O-N 2.92Å; L621-L624 PolarHBondContact O-N 3.36Å; L621-L625 WeakPolarHBondContact O-CG 3.47Å; L621-L625 PolarHBondContact O-N 2.87Å; L621-F658 HydrophobicContact CD2-CE2 3.66Å; L621-F658 HydrophobicContact CD2-CZ 4.08Å |
| 622 | I | 61.5 | Low | 53.4 | Low | 48 Ų | 48 | 67.3 Ų | 67.3 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 174.7 | -67.6 | 164.5 | 0 | 0 | 0 | 110.7 | L618 P619 L625 A626 L662 Y666 | L618-I622 HydrophobicContact CG-CD1 4.16Å; L618-I622 VanDerWaalsContact O-CG1 3.3Å; L618-I622 WeakPolarHBondContact O-CG1 3.24Å; L618-I622 PolarHBondContact O-N 2.91Å; P619-I622 PolarHBondContact O-N 2.82Å; I622-L625 PolarHBondContact O-N 3.44Å; I622-A626 VanDerWaalsContact O-CB 3.29Å; I622-A626 WeakPolarHBondContact O-CB 3.42Å; I622-A626 PolarHBondContact O-N 2.9Å; I622-L662 HydrophobicContact CD1-CD2 3.81Å; I622-L662 HydrophobicContact CG1-CD2 4.12Å; I622-Y666 HydrophobicContact CD1-CD2 4.43Å; I622-Y666 HydrophobicContact CD1-CE2 3.57Å |
| 623 | I | 61.9 | Low | 54.4 | Low | 77 Ų | 77 | 62 Ų | 62 | 40% | 0.395 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 176.2 | -70.3 | 164.2 | 0 | 0 | 0 | 111.2 | P619 D620 A626 K627 | P619-I623 VanDerWaalsContact O-CG1 3.29Å; P619-I623 WeakPolarHBondContact O-CG1 3.25Å; P619-I623 PolarHBondContact O-N 3.43Å; D620-I623 PolarHBondContact O-N 2.79Å; I623-A626 PolarHBondContact O-N 2.85Å; I623-K627 HydrophobicContact CG2-CD 4.06Å; I623-K627 WeakPolarHBondContact O-CB 3.46Å; I623-K627 VanDerWaalsContact O-CG 3.27Å; I623-K627 WeakPolarHBondContact O-CG 3.44Å; I623-K627 PolarHBondContact O-N 2.94Å |
| 624 | L | 56.7 | Low | 55.4 | Low | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.335 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 174.3 | -97.8 | 157.5 | 0 | 0 | 0 | 112.4 | D620 L621 N628 | D620-L624 WeakPolarHBondContact O-CB 3.26Å; D620-L624 PolarHBondContact O-N 2.92Å; L621-L624 PolarHBondContact O-N 3.36Å; L624-N628 PolarHBondContact O-ND2 3.34Å |
| 625 | L | 59.3 | Low | 56.4 | Low | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.3 | -43.2 | 174.2 | -68 | 170.9 | 0 | 0 | 0 | 111.7 | L621 I622 K627 N628 Y629 F631 F658 | L621-L625 WeakPolarHBondContact O-CG 3.47Å; L621-L625 PolarHBondContact O-N 2.87Å; I622-L625 PolarHBondContact O-N 3.44Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 3.4Å; L625-N628 PolarHBondContact O-N 2.8Å; L625-Y629 HydrophobicContact CB-CD2 4.4Å; L625-Y629 HydrophobicContact CD2-CD2 4Å; L625-Y629 HydrophobicContact CD2-CE2 3.84Å; L625-Y629 WeakPolarHBondContact O-CD2 3.46Å; L625-Y629 PolarHBondContact O-N 2.84Å; L625-F631 HydrophobicContact CB-CE1 4.45Å; L625-F631 HydrophobicContact CB-CZ 3.95Å; L625-F658 HydrophobicContact CD1-CE1 3.72Å; L625-F658 HydrophobicContact CD1-CZ 3.64Å |
| 626 | A | 60.2 | Low | 57.4 | Low | 47 Ų | 47 | 62.2 Ų | 62.2 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I622 I623 N628 F631 | I622-A626 VanDerWaalsContact O-CB 3.29Å; I622-A626 WeakPolarHBondContact O-CB 3.42Å; I622-A626 PolarHBondContact O-N 2.9Å; I623-A626 PolarHBondContact O-N 2.85Å; A626-N628 PolarHBondContact O-N 2.93Å; A626-F631 HydrophobicContact CB-CE2 3.87Å; A626-F631 HydrophobicContact CB-CZ 4.37Å |
| 627 | K | 57.1 | Low | 58.3 | Low | 153 Ų | 153 | 60.2 Ų | 60.2 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.8 | 174 | -77.8 | 168.5 | 179.2 | 169.7 | 0 | 113.8 | I623 L625 | I623-K627 HydrophobicContact CG2-CD 4.06Å; I623-K627 WeakPolarHBondContact O-CB 3.46Å; I623-K627 VanDerWaalsContact O-CG 3.27Å; I623-K627 WeakPolarHBondContact O-CG 3.44Å; I623-K627 PolarHBondContact O-N 2.94Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 3.4Å |
| 628 | N | 52.4 | Low | 59.2 | Low | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -19.5 | -173.9 | -70.1 | -73.3 | 0 | 0 | 0 | 114.2 | L624 L625 A626 | L624-N628 PolarHBondContact O-ND2 3.34Å; L625-N628 PolarHBondContact O-N 2.8Å; A626-N628 PolarHBondContact O-N 2.93Å |
| 629 | Y | 56.3 | Low | 60 | Low | 12 Ų | 12 | 61.3 Ų | 61.3 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | trans | -134.2 | 140.8 | -172.6 | -54.3 | -60.8 | 0 | 0 | 0 | 113.7 | F587 Q590 L625 F631 | F587-Y629 HydrophobicContact CB-CE1 4.45Å; F587-Y629 AromaticContact CD2-CD1 3.83Å; F587-Y629 HydrophobicContact CD2-CD1 3.83Å; F587-Y629 AromaticContact CD2-CD2 3.86Å; F587-Y629 HydrophobicContact CD2-CD2 3.86Å; F587-Y629 AromaticContact CD2-CE1 3.8Å; F587-Y629 HydrophobicContact CD2-CE1 3.8Å; F587-Y629 AromaticContact CD2-CE2 3.8Å; F587-Y629 HydrophobicContact CD2-CE2 3.8Å; F587-Y629 AromaticContact CD2-CG 3.89Å; F587-Y629 HydrophobicContact CD2-CG 3.89Å; F587-Y629 AromaticContact CD2-CZ 3.8Å; F587-Y629 AromaticContact CE2-CD2 3.81Å; F587-Y629 HydrophobicContact CE2-CD2 3.81Å; F587-Y629 AromaticContact CE2-CE2 3.87Å; F587-Y629 HydrophobicContact CE2-CE2 3.87Å; F587-Y629 HydrophobicContact CE2-CG 4.19Å; Q590-Y629 WeakPolarHBondContact CB-OH 3.31Å; Q590-Y629 PolarHBondContact OE1-OH 3.19Å; L625-Y629 HydrophobicContact CB-CD2 4.4Å; L625-Y629 HydrophobicContact CD2-CD2 4Å; L625-Y629 HydrophobicContact CD2-CE2 3.84Å; L625-Y629 WeakPolarHBondContact O-CD2 3.46Å; L625-Y629 PolarHBondContact O-N 2.84Å; Y629-F631 PolarHBondContact O-N 3.37Å | ||
| 630 | K | 57.3 | Low | 61.2 | Low | 85 Ų | 85 | 58.7 Ų | 58.7 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -87.4 | 99.6 | 173.9 | -170 | 170.8 | -174.3 | 174.1 | 0 | 109.6 | D574 L575 Q577 | D574-K630 IonicContact OD1-NZ 3.17Å; L575-K630 HydrophobicContact CB-CB 3.83Å; L575-K630 HydrophobicContact CB-CD 4.37Å; Q577-K630 HydrophobicContact CG-CD 4.24Å |
| 631 | F | 60.2 | Low | 62.2 | Low | 63 Ų | 63 | 58.6 Ų | 58.6 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | trans | -63.7 | 143.4 | 174 | -58 | -41.3 | 0 | 0 | 0 | 111.4 | L625 A626 Y629 I639 W659 | L625-F631 HydrophobicContact CB-CE1 4.45Å; L625-F631 HydrophobicContact CB-CZ 3.95Å; A626-F631 HydrophobicContact CB-CE2 3.87Å; A626-F631 HydrophobicContact CB-CZ 4.37Å; Y629-F631 PolarHBondContact O-N 3.37Å; F631-I639 HydrophobicContact CB-CD1 4.11Å; F631-I639 HydrophobicContact CB-CG1 4.29Å; F631-I639 HydrophobicContact CB-CG2 3.86Å; F631-I639 HydrophobicContact CD1-CG2 4.18Å; F631-I639 HydrophobicContact CG-CG2 4.02Å; F631-W659 HydrophobicContact CD1-CH2 4.34Å; F631-W659 AromaticContact CE1-CH2 3.75Å; F631-W659 HydrophobicContact CE1-CH2 3.75Å; F631-W659 HydrophobicContact CE1-CZ2 4.5Å; F631-W659 HydrophobicContact CZ-CH2 4.37Å | ||
| 632 | I | 54.1 | Low | 62.9 | Low | 53 Ų | 53 | 60.8 Ų | 60.8 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | trans | -129.6 | 104.1 | -177.5 | -54 | 177 | 0 | 0 | 0 | 109 | Q577 M578 N642 | Q577-I632 HydrophobicContact CB-CD1 3.88Å; Q577-I632 HydrophobicContact CG-CD1 3.96Å; M578-I632 HydrophobicContact CB-CD1 4.35Å; I632-N642 PolarHBondContact O-ND2 3.01Å | ||
| 633 | G | 62 | Low | 63.4 | Low | 31 Ų | 31 | 58.5 Ų | 58.5 | 32% | 0.32 | 31% | 0.312 | S | S | . | . | trans | 179.3 | 161.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 634 | T | 61.3 | Low | 64.1 | Low | 126 Ų | 126 | 55.3 Ų | 55.3 | 77% | 0.773 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -96.5 | -16.4 | 179.3 | 45 | 0 | 0 | 0 | 0 | 112.6 | M638 | T634-M638 HydrophobicContact CG2-CE 4.1Å; T634-M638 WeakPolarHBondContact OG1-CE 3.42Å |
| 635 | N | 61.9 | Low | 64.9 | Low | 71 Ų | 71 | 54.5 Ų | 54.5 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -143.5 | 170.8 | 172.3 | 60.9 | 5.4 | 0 | 0 | 0 | 108.9 | D637 M638 I639 | N635-D637 VanDerWaalsContact C-N 3.31Å; N635-D637 PolarHBondContact O-N 3.07Å; N635-M638 PolarHBondContact O-N 3.06Å; N635-M638 WeakPolarHBondContact OD1-CB 3.3Å; N635-M638 PolarHBondContact OD1-N 3.31Å; N635-I639 PolarHBondContact O-N 3.49Å |
| 636 | V | 65.5 | Low | 65.4 | Low | 64 Ų | 64 | 55.2 Ų | 55.2 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -35.3 | -176.6 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | M638 I639 C640 | V636-M638 PolarHBondContact O-N 3.1Å; V636-I639 PolarHBondContact O-N 3.08Å; V636-C640 WeakPolarHBondContact O-CB 3.4Å; V636-C640 PolarHBondContact O-N 3.44Å; V636-C640 PolarHBondContact O-SG 2.96Å |
| 637 | D | 68.3 | Low | 65.8 | Low | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -50.8 | -54.3 | 170.7 | -81.2 | -84.3 | 0 | 0 | 0 | 112.6 | N635 I639 C640 E641 R663 G667 S668 | N635-D637 VanDerWaalsContact C-N 3.31Å; N635-D637 PolarHBondContact O-N 3.07Å; D637-I639 VanDerWaalsContact C-N 3.31Å; D637-I639 PolarHBondContact O-N 2.73Å; D637-C640 PolarHBondContact O-N 3.42Å; D637-E641 VanDerWaalsContact O-CB 3.23Å; D637-E641 WeakPolarHBondContact O-CB 3.19Å; D637-E641 PolarHBondContact O-N 3.02Å; D637-R663 WeakPolarHBondContact OD1-CG 3.38Å; D637-R663 IonicContact OD1-CZ 3.64Å; D637-R663 IonicContact OD1-NE 3.53Å; D637-R663 PolarHBondContact OD1-NE 3.12Å; D637-R663 IonicContact OD1-NH2 2.68Å; D637-R663 PolarHBondContact OD1-NH2 3.16Å; D637-G667 VanDerWaalsContact OD2-CA 3.27Å; D637-G667 WeakPolarHBondContact OD2-CA 3.4Å; D637-S668 PolarHBondContact OD2-N 3.44Å |
| 638 | M | 69.2 | Low | 66.6 | Low | 78 Ų | 78 | 51.6 Ų | 51.6 | 38% | 0.384 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.2 | -25.8 | -175.9 | -164.4 | 162.9 | 92.3 | 0 | 0 | 112.8 | T634 N635 V636 N642 | T634-M638 HydrophobicContact CG2-CE 4.1Å; T634-M638 WeakPolarHBondContact OG1-CE 3.42Å; N635-M638 PolarHBondContact O-N 3.06Å; N635-M638 WeakPolarHBondContact OD1-CB 3.3Å; N635-M638 PolarHBondContact OD1-N 3.31Å; V636-M638 PolarHBondContact O-N 3.1Å; M638-N642 VanDerWaalsContact O-CB 3.28Å; M638-N642 WeakPolarHBondContact O-CB 3.31Å; M638-N642 PolarHBondContact O-N 3.39Å; M638-N642 PolarHBondContact O-ND2 2.98Å |
| 639 | I | 70.5 | Confident | 67.4 | Low | 35 Ų | 35 | 58.3 Ų | 58.3 | 18% | 0.179 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -51.4 | 168.7 | -65.9 | 170.9 | 0 | 0 | 0 | 109.8 | F631 N635 V636 D637 N643 W659 | F631-I639 HydrophobicContact CB-CD1 4.11Å; F631-I639 HydrophobicContact CB-CG1 4.29Å; F631-I639 HydrophobicContact CB-CG2 3.86Å; F631-I639 HydrophobicContact CD1-CG2 4.18Å; F631-I639 HydrophobicContact CG-CG2 4.02Å; N635-I639 PolarHBondContact O-N 3.49Å; V636-I639 PolarHBondContact O-N 3.08Å; D637-I639 VanDerWaalsContact C-N 3.31Å; D637-I639 PolarHBondContact O-N 2.73Å; I639-N643 WeakPolarHBondContact O-CB 3.12Å; I639-N643 PolarHBondContact O-N 3.08Å; I639-N643 VanDerWaalsContact O-N 3.11Å; I639-N643 PolarHBondContact O-ND2 2.96Å; I639-N643 PolarHBondContact O-OD1 3.04Å; I639-W659 HydrophobicContact CG2-CZ3 4.36Å |
| 640 | C | 77 | Confident | 67.7 | Low | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | -176.3 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | V636 D637 N643 A644 W659 R663 | V636-C640 WeakPolarHBondContact O-CB 3.4Å; V636-C640 PolarHBondContact O-N 3.44Å; V636-C640 PolarHBondContact O-SG 2.96Å; D637-C640 PolarHBondContact O-N 3.42Å; C640-N643 PolarHBondContact O-N 3.12Å; C640-A644 WeakPolarHBondContact O-CB 3.27Å; C640-A644 PolarHBondContact O-N 3.49Å; C640-W659 HydrophobicContact CB-CE3 4.31Å; C640-W659 WeakPolarHBondContact CB-O 3.45Å; C640-R663 HydrophobicContact CB-CB 3.88Å; C640-R663 HydrophobicContact CB-CG 4.43Å |
| 641 | E | 75.2 | Confident | 68.2 | Low | 100 Ų | 100 | 58.9 Ų | 58.9 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | -179.6 | -170.4 | 158.9 | -116.9 | 0 | 0 | 112.1 | D637 S645 R663 | D637-E641 VanDerWaalsContact O-CB 3.23Å; D637-E641 WeakPolarHBondContact O-CB 3.19Å; D637-E641 PolarHBondContact O-N 3.02Å; E641-S645 WeakPolarHBondContact O-CB 3.45Å; E641-S645 PolarHBondContact O-N 3.22Å; E641-R663 IonicContact OE1-CZ 3.61Å; E641-R663 IonicContact OE1-NH1 3.33Å; E641-R663 PolarHBondContact OE1-NH1 3.31Å; E641-R663 IonicContact OE1-NH2 3.44Å; E641-R663 PolarHBondContact OE1-NH2 3.42Å; E641-R663 VanDerWaalsContact OE1-NH2 3.14Å; E641-R663 IonicContact OE2-NH2 2.78Å; E641-R663 PolarHBondContact OE2-NH2 3.34Å |
| 642 | N | 72.9 | Confident | 68.2 | Low | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.342 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57 | -53.4 | 170.3 | -89.2 | -31.9 | 0 | 0 | 0 | 111 | I632 M638 A644 S645 V646 | I632-N642 PolarHBondContact O-ND2 3.01Å; M638-N642 VanDerWaalsContact O-CB 3.28Å; M638-N642 WeakPolarHBondContact O-CB 3.31Å; M638-N642 PolarHBondContact O-N 3.39Å; M638-N642 PolarHBondContact O-ND2 2.98Å; N642-A644 PolarHBondContact O-N 3.14Å; N642-S645 WeakPolarHBondContact O-CB 3.44Å; N642-S645 PolarHBondContact O-N 3.47Å; N642-S645 VanDerWaalsContact O-N 3.15Å; N642-S645 PolarHBondContact O-OG 3.15Å; N642-V646 PolarHBondContact O-N 2.75Å |
| 643 | N | 71.9 | Confident | 69 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | -173.4 | -61.2 | -13.8 | 0 | 0 | 0 | 112.1 | M578 I639 C640 V646 C647 W659 | M578-N643 HydrophobicContact CE-CB 4.08Å; M578-N643 WeakPolarHBondContact CG-OD1 3.36Å; I639-N643 WeakPolarHBondContact O-CB 3.12Å; I639-N643 PolarHBondContact O-N 3.08Å; I639-N643 VanDerWaalsContact O-N 3.11Å; I639-N643 PolarHBondContact O-ND2 2.96Å; I639-N643 PolarHBondContact O-OD1 3.04Å; C640-N643 PolarHBondContact O-N 3.12Å; N643-V646 PolarHBondContact O-N 3.24Å; N643-C647 PolarHBondContact O-N 3.21Å; N643-C647 PolarHBondContact O-SG 3.08Å; N643-W659 HydrophobicContact CB-CD2 3.46Å; N643-W659 VanDerWaalsContact CB-CD2 3.46Å; N643-W659 HydrophobicContact CB-CE3 3.96Å; N643-W659 HydrophobicContact CB-CG 3.8Å; N643-W659 HydrophobicContact CB-CH2 4.34Å; N643-W659 HydrophobicContact CB-CZ2 3.86Å; N643-W659 HydrophobicContact CB-CZ3 4.36Å; N643-W659 WeakPolarHBondContact ND2-CH2 3.2Å; N643-W659 VanDerWaalsContact ND2-CZ2 3.3Å; N643-W659 WeakPolarHBondContact ND2-CZ2 3.25Å; N643-W659 VanDerWaalsContact ND2-CZ3 3.35Å; N643-W659 WeakPolarHBondContact ND2-CZ3 3.19Å |
| 644 | A | 76.7 | Confident | 69 | Low | 9 Ų | 9 | 61.7 Ų | 61.7 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C640 N642 V646 C647 L648 W659 | C640-A644 WeakPolarHBondContact O-CB 3.27Å; C640-A644 PolarHBondContact O-N 3.49Å; N642-A644 PolarHBondContact O-N 3.14Å; A644-V646 VanDerWaalsContact C-N 3.28Å; A644-V646 PolarHBondContact O-N 2.86Å; A644-C647 PolarHBondContact O-N 3.01Å; A644-L648 WeakPolarHBondContact O-CB 3.38Å; A644-L648 PolarHBondContact O-N 2.75Å; A644-W659 HydrophobicContact CB-CB 3.84Å |
| 645 | S | 74.8 | Confident | 69.3 | Low | 48 Ų | 48 | 55.7 Ų | 55.7 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.7 | -34.2 | 177.8 | 85.3 | 0 | 0 | 0 | 0 | 112.8 | E641 N642 R649 | E641-S645 WeakPolarHBondContact O-CB 3.45Å; E641-S645 PolarHBondContact O-N 3.22Å; N642-S645 WeakPolarHBondContact O-CB 3.44Å; N642-S645 PolarHBondContact O-N 3.47Å; N642-S645 VanDerWaalsContact O-N 3.15Å; N642-S645 PolarHBondContact O-OG 3.15Å; S645-R649 WeakPolarHBondContact O-CG 3.19Å; S645-R649 PolarHBondContact O-N 3.26Å |
| 646 | V | 69.2 | Low | 70 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.8 | -49.4 | 173.6 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | M578 A584 N642 N643 A644 L648 R649 F650 | M578-V646 HydrophobicContact SD-CB 4.18Å; M578-V646 HydrophobicContact SD-CG1 4.01Å; M578-V646 HydrophobicContact SD-CG2 4.09Å; A584-V646 HydrophobicContact CB-CG1 3.55Å; N642-V646 PolarHBondContact O-N 2.75Å; N643-V646 PolarHBondContact O-N 3.24Å; A644-V646 VanDerWaalsContact C-N 3.28Å; A644-V646 PolarHBondContact O-N 2.86Å; V646-L648 PolarHBondContact O-N 2.66Å; V646-R649 PolarHBondContact O-N 3.43Å; V646-R649 VanDerWaalsContact O-N 3.07Å; V646-F650 HydrophobicContact CG1-CD2 4.27Å; V646-F650 HydrophobicContact CG1-CE2 4.4Å; V646-F650 WeakPolarHBondContact O-CD2 3.31Å; V646-F650 PolarHBondContact O-N 3.42Å |
| 647 | C | 68.9 | Low | 70.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 179.1 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | N643 A644 F650 G651 Q652 L655 V656 | N643-C647 PolarHBondContact O-N 3.21Å; N643-C647 PolarHBondContact O-SG 3.08Å; A644-C647 PolarHBondContact O-N 3.01Å; C647-F650 PolarHBondContact O-N 2.88Å; C647-G651 PolarHBondContact O-N 3.3Å; C647-Q652 HydrophobicContact CB-CB 4.42Å; C647-Q652 PolarHBondContact O-N 2.69Å; C647-L655 HydrophobicContact CB-CB 3.78Å; C647-L655 WeakPolarHBondContact SG-CB 3.08Å; C647-V656 HydrophobicContact CB-CG2 3.66Å |
| 648 | L | 73.6 | Confident | 70.5 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 174.9 | -166.6 | 75.2 | 0 | 0 | 0 | 111.7 | A644 V646 F650 G651 V656 | A644-L648 WeakPolarHBondContact O-CB 3.38Å; A644-L648 PolarHBondContact O-N 2.75Å; V646-L648 PolarHBondContact O-N 2.66Å; L648-F650 PolarHBondContact O-N 3.39Å; L648-G651 PolarHBondContact O-N 2.96Å; L648-V656 HydrophobicContact CB-CG2 3.99Å; L648-V656 HydrophobicContact CD1-CG2 4.17Å |
| 649 | R | 68.8 | Low | 70.8 | Confident | 212 Ų | 212 | 52.2 Ų | 52.2 | 80% | 0.8 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66 | -18.1 | 178.8 | -72 | 177 | -176.5 | -166 | 3 | 114.3 | S645 V646 | S645-R649 WeakPolarHBondContact O-CG 3.19Å; S645-R649 PolarHBondContact O-N 3.26Å; V646-R649 PolarHBondContact O-N 3.43Å; V646-R649 VanDerWaalsContact O-N 3.07Å |
| 650 | F | 62.7 | Low | 71.1 | Confident | 53 Ų | 53 | 54.7 Ų | 54.7 | 23% | 0.232 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 13.1 | 178.1 | -74.4 | -82.7 | 0 | 0 | 0 | 113.8 | L581 A584 Q585 V588 V646 C647 L648 Q652 | L581-F650 HydrophobicContact CD1-CE1 4.14Å; L581-F650 HydrophobicContact CD1-CE2 4.43Å; L581-F650 HydrophobicContact CD1-CZ 3.55Å; L581-F650 HydrophobicContact CG-CE1 4.36Å; L581-F650 HydrophobicContact CG-CZ 3.91Å; A584-F650 HydrophobicContact CB-CD2 3.96Å; A584-F650 HydrophobicContact CB-CE2 3.22Å; A584-F650 HydrophobicContact CB-CZ 3.69Å; Q585-F650 HydrophobicContact CG-CD1 4.31Å; Q585-F650 HydrophobicContact CG-CE1 3.56Å; Q585-F650 HydrophobicContact CG-CZ 4.19Å; V588-F650 HydrophobicContact CG2-CB 3.83Å; V588-F650 HydrophobicContact CG2-CG 4.18Å; V646-F650 HydrophobicContact CG1-CD2 4.27Å; V646-F650 HydrophobicContact CG1-CE2 4.4Å; V646-F650 WeakPolarHBondContact O-CD2 3.31Å; V646-F650 PolarHBondContact O-N 3.42Å; C647-F650 PolarHBondContact O-N 2.88Å; L648-F650 PolarHBondContact O-N 3.39Å; F650-Q652 VanDerWaalsContact C-N 3.35Å; F650-Q652 HydrophobicContact CB-CG 4.4Å; F650-Q652 PolarHBondContact O-N 3.1Å; F650-Q652 PolarHBondContact O-NE2 2.75Å |
| 651 | G | 66.6 | Low | 70.9 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 57% | 0.567 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 34.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C647 L648 P653 | C647-G651 PolarHBondContact O-N 3.3Å; L648-G651 PolarHBondContact O-N 2.96Å; G651-P653 VanDerWaalsContact C-CD 3.4Å; G651-P653 WeakPolarHBondContact O-CD 3.35Å |
| 652 | Q | 61.6 | Low | 70.7 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 20% | 0.201 | 27% | 0.27 | C | S | . | . | trans | -109.5 | 72.2 | -177.9 | -62.4 | -58.2 | -49.6 | 0 | 0 | 111.7 | V588 C647 F650 F654 L655 V656 | V588-Q652 HydrophobicContact CG1-CG 3.66Å; V588-Q652 HydrophobicContact CG2-CG 4.02Å; C647-Q652 HydrophobicContact CB-CB 4.42Å; C647-Q652 PolarHBondContact O-N 2.69Å; F650-Q652 VanDerWaalsContact C-N 3.35Å; F650-Q652 HydrophobicContact CB-CG 4.4Å; F650-Q652 PolarHBondContact O-N 3.1Å; F650-Q652 PolarHBondContact O-NE2 2.75Å; Q652-F654 PolarHBondContact O-N 2.89Å; Q652-L655 HydrophobicContact CB-CB 4.09Å; Q652-L655 HydrophobicContact CB-CD1 3.88Å; Q652-L655 HydrophobicContact CB-CG 4.06Å; Q652-L655 HydrophobicContact CG-CD1 4.12Å; Q652-L655 PolarHBondContact O-N 3.17Å; Q652-L655 VanDerWaalsContact O-N 3.08Å; Q652-V656 PolarHBondContact O-N 2.83Å; Q652-V656 VanDerWaalsContact O-N 3.1Å | ||
| 653 | P | 69.3 | Low | 70.7 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 62% | 0.623 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.1 | -30.5 | -175.1 | 25.9 | -35.1 | 0 | 0 | 0 | 113 | G651 V656 R657 | G651-P653 VanDerWaalsContact C-CD 3.4Å; G651-P653 WeakPolarHBondContact O-CD 3.35Å; P653-V656 PolarHBondContact O-N 3.29Å; P653-R657 PolarHBondContact O-N 3.15Å |
| 654 | F | 63.6 | Low | 70.4 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 172.8 | 177.9 | -101.1 | 0 | 0 | 0 | 112.2 | L595 L602 F606 Q652 V656 R657 F658 | L595-F654 HydrophobicContact CB-CE1 4.2Å; L595-F654 HydrophobicContact CD1-CE1 4.41Å; L602-F654 HydrophobicContact CB-CE2 4.44Å; L602-F654 HydrophobicContact CB-CZ 4.05Å; L602-F654 HydrophobicContact CD1-CZ 3.94Å; F606-F654 HydrophobicContact CE2-CE2 4.13Å; Q652-F654 PolarHBondContact O-N 2.89Å; F654-V656 VanDerWaalsContact C-N 3.34Å; F654-V656 PolarHBondContact O-N 3.38Å; F654-R657 WeakPolarHBondContact O-CB 3.45Å; F654-R657 PolarHBondContact O-N 3.03Å; F654-F658 PolarHBondContact O-N 2.89Å |
| 655 | L | 67.7 | Low | 69.7 | Low | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.5 | -31.8 | 178.8 | -59 | 179.7 | 0 | 0 | 0 | 112 | F587 V588 L595 C647 Q652 F658 W659 | F587-L655 HydrophobicContact CE1-CD1 4.31Å; V588-L655 HydrophobicContact CG2-CD1 4.49Å; L595-L655 HydrophobicContact CD1-CD2 3.34Å; C647-L655 HydrophobicContact CB-CB 3.78Å; C647-L655 WeakPolarHBondContact SG-CB 3.08Å; Q652-L655 HydrophobicContact CB-CB 4.09Å; Q652-L655 HydrophobicContact CB-CD1 3.88Å; Q652-L655 HydrophobicContact CB-CG 4.06Å; Q652-L655 HydrophobicContact CG-CD1 4.12Å; Q652-L655 PolarHBondContact O-N 3.17Å; Q652-L655 VanDerWaalsContact O-N 3.08Å; L655-F658 PolarHBondContact O-N 3.34Å; L655-W659 PolarHBondContact O-N 3.25Å |
| 656 | V | 75 | Confident | 69 | Low | 22 Ų | 22 | 62.8 Ų | 62.8 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 169.9 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | C647 L648 Q652 P653 F654 F658 W659 L660 | C647-V656 HydrophobicContact CB-CG2 3.66Å; L648-V656 HydrophobicContact CB-CG2 3.99Å; L648-V656 HydrophobicContact CD1-CG2 4.17Å; Q652-V656 PolarHBondContact O-N 2.83Å; Q652-V656 VanDerWaalsContact O-N 3.1Å; P653-V656 PolarHBondContact O-N 3.29Å; F654-V656 VanDerWaalsContact C-N 3.34Å; F654-V656 PolarHBondContact O-N 3.38Å; V656-F658 VanDerWaalsContact C-N 3.34Å; V656-F658 PolarHBondContact O-N 3.31Å; V656-W659 PolarHBondContact O-N 3.31Å; V656-L660 HydrophobicContact CG1-CD1 3.9Å; V656-L660 HydrophobicContact CG1-CG 4.43Å; V656-L660 WeakPolarHBondContact O-CG 3.49Å; V656-L660 PolarHBondContact O-N 3.25Å |
| 657 | R | 70.5 | Confident | 68.3 | Low | 134 Ų | 134 | 62.4 Ų | 62.4 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 178.5 | -153.2 | 176.7 | -169.1 | 155.3 | 2.6 | 111.7 | F606 P653 F654 L660 L661 | F606-R657 HydrophobicContact CD1-CG 4.48Å; F606-R657 HydrophobicContact CE1-CB 4.44Å; F606-R657 HydrophobicContact CE1-CG 3.74Å; F606-R657 HydrophobicContact CZ-CB 4.28Å; F606-R657 HydrophobicContact CZ-CG 4.04Å; P653-R657 PolarHBondContact O-N 3.15Å; F654-R657 WeakPolarHBondContact O-CB 3.45Å; F654-R657 PolarHBondContact O-N 3.03Å; R657-L660 PolarHBondContact O-N 2.79Å; R657-L661 WeakPolarHBondContact O-CB 3.21Å; R657-L661 PolarHBondContact O-N 3.18Å |
| 658 | F | 74.4 | Confident | 67.1 | Low | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 173.6 | 170.6 | -104.3 | 0 | 0 | 0 | 113.3 | L621 L625 F654 L655 V656 L660 L661 L662 | L621-F658 HydrophobicContact CD2-CE2 3.66Å; L621-F658 HydrophobicContact CD2-CZ 4.08Å; L625-F658 HydrophobicContact CD1-CE1 3.72Å; L625-F658 HydrophobicContact CD1-CZ 3.64Å; F654-F658 PolarHBondContact O-N 2.89Å; L655-F658 PolarHBondContact O-N 3.34Å; V656-F658 VanDerWaalsContact C-N 3.34Å; V656-F658 PolarHBondContact O-N 3.31Å; F658-L660 VanDerWaalsContact C-N 3.34Å; F658-L660 PolarHBondContact O-N 2.85Å; F658-L661 WeakPolarHBondContact O-CB 3.08Å; F658-L661 PolarHBondContact O-N 3.28Å; F658-L662 HydrophobicContact CD1-CD1 4.34Å; F658-L662 HydrophobicContact CE1-CD1 3.6Å; F658-L662 HydrophobicContact CE1-CG 4.48Å; F658-L662 HydrophobicContact CE2-CD1 4.09Å; F658-L662 HydrophobicContact CE2-CG 4.25Å; F658-L662 HydrophobicContact CZ-CD1 3.47Å; F658-L662 VanDerWaalsContact CZ-CD1 3.47Å; F658-L662 HydrophobicContact CZ-CG 4.12Å; F658-L662 PolarHBondContact O-N 3.48Å |
| 659 | W | 75.9 | Confident | 65.3 | Low | 5 Ų | 5 | 69.7 Ų | 69.7 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.6 | -33.8 | 179.3 | -76.3 | 114.1 | 0 | 0 | 0 | 112.9 | F587 F631 I639 C640 N643 A644 L655 V656 L662 R663 | F587-W659 HydrophobicContact CE2-CZ2 4.42Å; F587-W659 AromaticContact CZ-CZ2 3.97Å; F587-W659 HydrophobicContact CZ-CZ2 3.97Å; F587-W659 AromaticContact CZ-NE1 3.72Å; F631-W659 HydrophobicContact CD1-CH2 4.34Å; F631-W659 AromaticContact CE1-CH2 3.75Å; F631-W659 HydrophobicContact CE1-CH2 3.75Å; F631-W659 HydrophobicContact CE1-CZ2 4.5Å; F631-W659 HydrophobicContact CZ-CH2 4.37Å; I639-W659 HydrophobicContact CG2-CZ3 4.36Å; C640-W659 HydrophobicContact CB-CE3 4.31Å; C640-W659 WeakPolarHBondContact CB-O 3.45Å; N643-W659 HydrophobicContact CB-CD2 3.46Å; N643-W659 VanDerWaalsContact CB-CD2 3.46Å; N643-W659 HydrophobicContact CB-CE3 3.96Å; N643-W659 HydrophobicContact CB-CG 3.8Å; N643-W659 HydrophobicContact CB-CH2 4.34Å; N643-W659 HydrophobicContact CB-CZ2 3.86Å; N643-W659 HydrophobicContact CB-CZ3 4.36Å; N643-W659 WeakPolarHBondContact ND2-CH2 3.2Å; N643-W659 VanDerWaalsContact ND2-CZ2 3.3Å; N643-W659 WeakPolarHBondContact ND2-CZ2 3.25Å; N643-W659 VanDerWaalsContact ND2-CZ3 3.35Å; N643-W659 WeakPolarHBondContact ND2-CZ3 3.19Å; A644-W659 HydrophobicContact CB-CB 3.84Å; L655-W659 PolarHBondContact O-N 3.25Å; V656-W659 PolarHBondContact O-N 3.31Å; W659-L662 HydrophobicContact CD2-CD1 4.49Å; W659-L662 HydrophobicContact CE3-CD1 3.7Å; W659-L662 HydrophobicContact CH2-CD1 4.32Å; W659-L662 HydrophobicContact CZ3-CD1 3.6Å; W659-R663 PolarHBondContact O-N 2.89Å |
| 660 | L | 76.8 | Confident | 63.4 | Low | 86 Ų | 86 | 64.1 Ų | 64.1 | 45% | 0.45 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.1 | -32.1 | 172.1 | -67.1 | 174.5 | 0 | 0 | 0 | 112.3 | V656 R657 F658 R663 S664 | V656-L660 HydrophobicContact CG1-CD1 3.9Å; V656-L660 HydrophobicContact CG1-CG 4.43Å; V656-L660 WeakPolarHBondContact O-CG 3.49Å; V656-L660 PolarHBondContact O-N 3.25Å; R657-L660 PolarHBondContact O-N 2.79Å; F658-L660 VanDerWaalsContact C-N 3.34Å; F658-L660 PolarHBondContact O-N 2.85Å; L660-R663 WeakPolarHBondContact O-CB 3.29Å; L660-R663 PolarHBondContact O-N 2.86Å; L660-S664 PolarHBondContact O-N 3.39Å |
| 661 | L | 71.9 | Confident | 61.8 | Low | 46 Ų | 46 | 66.8 Ų | 66.8 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 172.6 | -166.8 | 78.1 | 0 | 0 | 0 | 111.2 | I605 F606 R657 F658 R663 S664 I665 | I605-L661 HydrophobicContact CG2-CD2 3.54Å; F606-L661 HydrophobicContact CE1-CD2 4.46Å; R657-L661 WeakPolarHBondContact O-CB 3.21Å; R657-L661 PolarHBondContact O-N 3.18Å; F658-L661 WeakPolarHBondContact O-CB 3.08Å; F658-L661 PolarHBondContact O-N 3.28Å; L661-R663 PolarHBondContact O-N 3.47Å; L661-S664 WeakPolarHBondContact CA-OG 3.35Å; L661-S664 PolarHBondContact O-N 3.23Å; L661-S664 PolarHBondContact O-OG 3.21Å; L661-I665 HydrophobicContact CD2-CD1 4.29Å; L661-I665 HydrophobicContact CG-CD1 3.95Å; L661-I665 WeakPolarHBondContact O-CG1 3.07Å; L661-I665 PolarHBondContact O-N 2.92Å |
| 662 | L | 71.5 | Confident | 60 | Low | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.9 | -36.5 | 172.9 | -76 | 177.9 | 0 | 0 | 0 | 112.2 | L618 I622 F658 W659 I665 Y666 | L618-L662 HydrophobicContact CD1-CD2 4.02Å; L618-L662 HydrophobicContact CD2-CD2 4.29Å; L618-L662 HydrophobicContact CG-CD2 4.27Å; I622-L662 HydrophobicContact CD1-CD2 3.81Å; I622-L662 HydrophobicContact CG1-CD2 4.12Å; F658-L662 HydrophobicContact CD1-CD1 4.34Å; F658-L662 HydrophobicContact CE1-CD1 3.6Å; F658-L662 HydrophobicContact CE1-CG 4.48Å; F658-L662 HydrophobicContact CE2-CD1 4.09Å; F658-L662 HydrophobicContact CE2-CG 4.25Å; F658-L662 HydrophobicContact CZ-CD1 3.47Å; F658-L662 VanDerWaalsContact CZ-CD1 3.47Å; F658-L662 HydrophobicContact CZ-CG 4.12Å; F658-L662 PolarHBondContact O-N 3.48Å; W659-L662 HydrophobicContact CD2-CD1 4.49Å; W659-L662 HydrophobicContact CE3-CD1 3.7Å; W659-L662 HydrophobicContact CH2-CD1 4.32Å; W659-L662 HydrophobicContact CZ3-CD1 3.6Å; L662-I665 PolarHBondContact O-N 2.87Å; L662-Y666 HydrophobicContact CD2-CD2 3.92Å; L662-Y666 HydrophobicContact CD2-CE2 3.79Å; L662-Y666 PolarHBondContact O-N 2.72Å |
| 663 | R | 73 | Confident | 58.3 | Low | 75 Ų | 75 | 74.8 Ų | 74.8 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 171.8 | -166.4 | -173.1 | -172.1 | 162.1 | 13.8 | 112.6 | D637 C640 E641 W659 L660 L661 I665 G667 | D637-R663 WeakPolarHBondContact OD1-CG 3.38Å; D637-R663 IonicContact OD1-CZ 3.64Å; D637-R663 IonicContact OD1-NE 3.53Å; D637-R663 PolarHBondContact OD1-NE 3.12Å; D637-R663 IonicContact OD1-NH2 2.68Å; D637-R663 PolarHBondContact OD1-NH2 3.16Å; C640-R663 HydrophobicContact CB-CB 3.88Å; C640-R663 HydrophobicContact CB-CG 4.43Å; E641-R663 IonicContact OE1-CZ 3.61Å; E641-R663 IonicContact OE1-NH1 3.33Å; E641-R663 PolarHBondContact OE1-NH1 3.31Å; E641-R663 IonicContact OE1-NH2 3.44Å; E641-R663 PolarHBondContact OE1-NH2 3.42Å; E641-R663 VanDerWaalsContact OE1-NH2 3.14Å; E641-R663 IonicContact OE2-NH2 2.78Å; E641-R663 PolarHBondContact OE2-NH2 3.34Å; W659-R663 PolarHBondContact O-N 2.89Å; L660-R663 WeakPolarHBondContact O-CB 3.29Å; L660-R663 PolarHBondContact O-N 2.86Å; L661-R663 PolarHBondContact O-N 3.47Å; R663-I665 VanDerWaalsContact C-N 3.33Å; R663-G667 WeakPolarHBondContact O-CA 3.48Å; R663-G667 PolarHBondContact O-N 2.78Å |
| 664 | S | 65 | Low | 56.4 | Low | 89 Ų | 89 | 77.8 Ų | 77.8 | 62% | 0.622 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.8 | -24 | 176.3 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | L660 L661 | L660-S664 PolarHBondContact O-N 3.39Å; L661-S664 WeakPolarHBondContact CA-OG 3.35Å; L661-S664 PolarHBondContact O-N 3.23Å; L661-S664 PolarHBondContact O-OG 3.21Å |
| 665 | I | 62.4 | Low | 54.6 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -90.9 | -36 | -179 | -64 | 169.2 | 0 | 0 | 0 | 111.8 | L618 L661 L662 R663 | L618-I665 HydrophobicContact CD2-CD1 3.63Å; L618-I665 HydrophobicContact CD2-CG2 4.11Å; L661-I665 HydrophobicContact CD2-CD1 4.29Å; L661-I665 HydrophobicContact CG-CD1 3.95Å; L661-I665 WeakPolarHBondContact O-CG1 3.07Å; L661-I665 PolarHBondContact O-N 2.92Å; L662-I665 PolarHBondContact O-N 2.87Å; R663-I665 VanDerWaalsContact C-N 3.33Å |
| 666 | Y | 61.5 | Low | 52.5 | Low | 100 Ų | 100 | 94 Ų | 94 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -124.6 | -0.7 | -172.5 | -59.7 | -72.7 | 0 | 0 | 0 | 114.9 | L618 I622 L662 | L618-Y666 HydrophobicContact CD2-CE2 3.74Å; L618-Y666 HydrophobicContact CG-CE2 4.38Å; I622-Y666 HydrophobicContact CD1-CD2 4.43Å; I622-Y666 HydrophobicContact CD1-CE2 3.57Å; L662-Y666 HydrophobicContact CD2-CD2 3.92Å; L662-Y666 HydrophobicContact CD2-CE2 3.79Å; L662-Y666 PolarHBondContact O-N 2.72Å |
| 667 | G | 53.2 | Low | 50.1 | Low | 12 Ų | 12 | 98.8 Ų | 98.8 | 12% | 0.124 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -80.8 | 160.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | D637 R663 L669 | D637-G667 VanDerWaalsContact OD2-CA 3.27Å; D637-G667 WeakPolarHBondContact OD2-CA 3.4Å; R663-G667 WeakPolarHBondContact O-CA 3.48Å; R663-G667 PolarHBondContact O-N 2.78Å; G667-L669 VanDerWaalsContact C-N 3.3Å; G667-L669 PolarHBondContact O-N 3.02Å; G667-L669 VanDerWaalsContact O-N 3.08Å |
| 668 | S | 43.2 | Very low | 48 | Very low | 98 Ų | 98 | 97.8 Ų | 97.8 | 69% | 0.685 | 53% | 0.529 | S | S | * | . | trans | 54.4 | 19.2 | 171.6 | 69.6 | 0 | 0 | 0 | 0 | 119.9 | D637 S670 | D637-S668 PolarHBondContact OD2-N 3.44Å; S668-S670 PolarHBondContact O-N 3.15Å | ||
| 669 | L | 37.2 | Very low | 45.7 | Very low | 180 Ų | 180 | 102.2 Ų | 102.2 | 94% | 0.942 | 56% | 0.561 | S | S | * | * | trans | -74.7 | 51.3 | 159.4 | -112 | 169.2 | 0 | 0 | 0 | 112 | G667 | G667-L669 VanDerWaalsContact C-N 3.3Å; G667-L669 PolarHBondContact O-N 3.02Å; G667-L669 VanDerWaalsContact O-N 3.08Å | ||
| 670 | S | 29.5 | Very low | 43.5 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 66% | 0.657 | 60% | 0.597 | S | S | * | * | trans | -150.1 | 78.4 | 178.5 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | S668 | S668-S670 PolarHBondContact O-N 3.15Š| ||
| 671 | S | 28.3 | Very low | 41.2 | Very low | 110 Ų | 110 | 113 Ų | 113 | 77% | 0.769 | 61% | 0.609 | S | S | * | * | trans | -138.1 | 106.1 | 162.2 | 52.4 | 0 | 0 | 0 | 0 | 110.4 | P673 | S671-P673 WeakPolarHBondContact O-CD 3.44Š| ||
| 672 | D | 29.2 | Very low | 39.1 | Very low | 149 Ų | 149 | 117.9 Ų | 117.9 | 80% | 0.797 | 63% | 0.631 | S | S | * | * | trans | -60.5 | 123.3 | 175.1 | -100.5 | -37.4 | 0 | 0 | 0 | 110 | H674 | D672-H674 PolarHBondContact O-N 3.07Š| ||
| 673 | P | 25.3 | Very low | 37.1 | Very low | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -73.5 | 16.2 | -177 | 29.4 | -35.2 | 0 | 0 | 0 | 114.6 | S671 | S671-P673 WeakPolarHBondContact O-CD 3.44Š|
| 674 | H | 28.3 | Very low | 34.9 | Very low | 159 Ų | 159 | 125 Ų | 125 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | trans | -146.1 | 81.5 | -174.3 | -74.3 | -39.4 | 0 | 0 | 0 | 115.1 | D672 | D672-H674 PolarHBondContact O-N 3.07Š| ||
| 675 | K | 26.8 | Very low | 33.1 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | trans | -168.9 | 110.1 | 142.2 | -98.5 | 137.2 | -162.1 | 163.2 | 0 | 115.4 | ||||
| 676 | R | 24 | Very low | 31.4 | Very low | 221 Ų | 221 | 129.7 Ų | 129.7 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | trans | 64 | 94.5 | 133.7 | -65.5 | -175.6 | 176.6 | 177.4 | -2 | 121.6 | ||||
| 677 | T | 24.5 | Very low | 29.8 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | 64.4 | 136.9 | 119.9 | 54.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 678 | S | 25.3 | Very low | 28.9 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 66.9 | 138.8 | 158.8 | 44 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 679 | S | 27.1 | Very low | 28.3 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | -169.2 | 160.7 | -7.2 | 44.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 680 | Q | 29.4 | Very low | 28 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | trans | 71.6 | 121.3 | 169.4 | -67.6 | 165.3 | -10.7 | 0 | 0 | 115.4 | ||||
| 681 | Q | 27.6 | Very low | 28.1 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | 79.5 | 140.3 | 50.5 | -67.1 | 172.1 | -52.1 | 0 | 0 | 112.8 | |||||
| 682 | H | 29.7 | Very low | 28.2 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | cis | -121.7 | 151.4 | 7.9 | -91.7 | -91.8 | 0 | 0 | 0 | 111.6 | ||||
| 683 | T | 27.7 | Very low | 28.2 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 58% | 0.577 | 74% | 0.744 | S | S | * | * | 69.8 | 123.1 | 62.3 | -29.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 684 | I | 28.6 | Very low | 28.3 | Very low | 138 Ų | 138 | 141 Ų | 141 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | -173.3 | 121.2 | 84.5 | -85.5 | 171.3 | 0 | 0 | 0 | 106.8 | |||||
| 685 | Q | 27.2 | Very low | 28.2 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | 68.5 | 151.4 | 91.2 | -73.1 | 177.1 | -25.2 | 0 | 0 | 115 | |||||
| 686 | T | 26.8 | Very low | 28 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | cis | -173.6 | 162.5 | 4.4 | 24.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 687 | Q | 27.2 | Very low | 28.1 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | cis | -163.8 | 176.6 | -9 | -116.1 | 174.9 | -31.5 | 0 | 0 | 109.7 | ||||
| 688 | P | 34.8 | Very low | 28.1 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | trans | -113.7 | 179.2 | -164 | 43.2 | -38.1 | 0 | 0 | 0 | 117.9 | ||||
| 689 | S | 30 | Very low | 28 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -156.8 | 100.2 | 161.3 | -44.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 690 | T | 30.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | 8.4 | 168.2 | 129.2 | 58.1 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 691 | P | 33 | Very low | 27.7 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | cis | -148.4 | 171.9 | -42.5 | 42.9 | -25.8 | 0 | 0 | 0 | 116 | ||||
| 692 | S | 29.6 | Very low | 27.6 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | 167.5 | 110 | 140.5 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 693 | H | 29.7 | Very low | 27.6 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | 68.7 | 112.8 | 89 | -79.8 | -73.1 | 0 | 0 | 0 | 114.6 | |||||
| 694 | Q | 26.9 | Very low | 27.6 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | -151.3 | 155.6 | 52.8 | -77.9 | -179.5 | -26.4 | 0 | 0 | 115.8 | |||||
| 695 | H | 26.5 | Very low | 27.5 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | trans | 39.6 | 96 | 161.8 | -69.8 | -57.9 | 0 | 0 | 0 | 122.1 | ||||
| 696 | Q | 23 | Very low | 27.7 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | -78.5 | 157.5 | 128.1 | -66.5 | 170.7 | -47 | 0 | 0 | 109.7 | |||||
| 697 | Q | 26 | Very low | 28 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | trans | -114.7 | 137.1 | 154.9 | -98.1 | -169.9 | -16.1 | 0 | 0 | 109.6 | ||||
| 698 | I | 23.7 | Very low | 28.1 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | trans | -107.4 | 132.3 | 176.9 | -62.5 | 164.7 | 0 | 0 | 0 | 106.8 | ||||
| 699 | Y | 24.3 | Very low | 27.9 | Very low | 190 Ų | 190 | 143 Ų | 143 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | trans | -120.9 | 126.8 | 163 | -83.8 | -81.8 | 0 | 0 | 0 | 109.5 | ||||
| 700 | N | 24 | Very low | 27.9 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | trans | -81.1 | 127.5 | -173.3 | -63.9 | -34.1 | 0 | 0 | 0 | 110.7 | S702 | N700-S702 PolarHBondContact O-N 3.38Š| ||
| 701 | F | 25.7 | Very low | 27.8 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | trans | -85.3 | 94.6 | 161.3 | -86.4 | -93.4 | 0 | 0 | 0 | 109.2 | L704 | F701-L704 HydrophobicContact CD1-CD1 3.69Å; F701-L704 HydrophobicContact CE1-CD1 3.8Å | ||
| 702 | S | 25.4 | Very low | 27.6 | Very low | 85 Ų | 85 | 147.7 Ų | 147.7 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | trans | -118.3 | -3.6 | -178.3 | 49.2 | 0 | 0 | 0 | 0 | 115.6 | N700 | N700-S702 PolarHBondContact O-N 3.38Š| ||
| 703 | D | 28.5 | Very low | 27.5 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -120.6 | -1.6 | -165.6 | -70.9 | -81.4 | 0 | 0 | 0 | 115.8 | ||
| 704 | L | 28.6 | Very low | 27.5 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 59% | 0.592 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -91.9 | -7.5 | -179.3 | -88.8 | 132 | 0 | 0 | 0 | 115 | F701 N706 | F701-L704 HydrophobicContact CD1-CD1 3.69Å; F701-L704 HydrophobicContact CE1-CD1 3.8Å; L704-N706 PolarHBondContact O-N 3.47Å |
| 705 | D | 27.1 | Very low | 27.5 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 0.4 | -164.8 | -126.2 | 0.2 | 0 | 0 | 0 | 115.6 | ||
| 706 | N | 31.3 | Very low | 27.6 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -6 | -168.5 | -100.5 | -65.2 | 0 | 0 | 0 | 116.6 | L704 | L704-N706 PolarHBondContact O-N 3.47Š|
| 707 | Q | 32.5 | Very low | 27.7 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -48.7 | -175.9 | -65.1 | -166.9 | 1.5 | 0 | 0 | 114.1 | S709 | Q707-S709 PolarHBondContact O-N 3.42Š|
| 708 | Y | 29.6 | Very low | 27.7 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -26.9 | -172.2 | -78.6 | -90 | 0 | 0 | 0 | 114.7 | K710 H711 | Y708-K710 VanDerWaalsContact C-N 3.25Å; Y708-K710 PolarHBondContact O-N 3.02Å; Y708-H711 PolarHBondContact O-N 3.25Å |
| 709 | S | 29.8 | Very low | 27.8 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -54.8 | -35.1 | 178.4 | 179.5 | 0 | 0 | 0 | 0 | 113.9 | Q707 | Q707-S709 PolarHBondContact O-N 3.42Å |
| 710 | K | 30 | Very low | 27.8 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -82.4 | -19.4 | -174.1 | -74.6 | 174.2 | 179.2 | 162.9 | 0 | 114.8 | Y708 S714 | Y708-K710 VanDerWaalsContact C-N 3.25Å; Y708-K710 PolarHBondContact O-N 3.02Å; K710-S714 PolarHBondContact O-OG 3.05Å; K710-S714 VanDerWaalsContact O-OG 3.09Å |
| 711 | H | 29.3 | Very low | 27.9 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 70% | 0.704 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -88.1 | -19.9 | -167.5 | -131.1 | -56.1 | 0 | 0 | 0 | 114.5 | Y708 | Y708-H711 PolarHBondContact O-N 3.25Å |
| 712 | I | 27.8 | Very low | 27.7 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -95.5 | -31.1 | -176.3 | -62.9 | 177.2 | 0 | 0 | 0 | 112.1 | S714 | I712-S714 PolarHBondContact O-N 3.32Å |
| 713 | Q | 28.3 | Very low | 27.8 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -77 | -16.1 | 179.3 | -71.3 | -169.5 | -13.2 | 0 | 0 | 114.7 | ||
| 714 | S | 28.4 | Very low | 27.9 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -91 | -19.9 | -172.4 | 45.9 | 0 | 0 | 0 | 0 | 114.9 | K710 I712 | K710-S714 PolarHBondContact O-OG 3.05Å; K710-S714 VanDerWaalsContact O-OG 3.09Å; I712-S714 PolarHBondContact O-N 3.32Å |
| 715 | S | 28.7 | Very low | 27.8 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -91.1 | -4.6 | -172.3 | -169.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 716 | L | 27.3 | Very low | 27.7 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -120.7 | 4.4 | -168.7 | -89 | 156.8 | 0 | 0 | 0 | 114.8 | ||
| 717 | I | 26.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -137 | 84.3 | -178.3 | -50.1 | 179 | 0 | 0 | 0 | 110.3 | ||
| 718 | N | 26 | Very low | 26.8 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -175 | 41 | 148.8 | -98 | -33.6 | 0 | 0 | 0 | 115.7 | K720 | N718-K720 PolarHBondContact O-N 3.31Š| ||
| 719 | E | 24.9 | Very low | 26.6 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | -71.8 | 106 | 156.8 | -80 | -156.9 | 145.1 | 0 | 0 | 110.1 | ||||
| 720 | K | 24.4 | Very low | 26.3 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -175.6 | 99.1 | 155.4 | -104.3 | 149.1 | -172.1 | 169.9 | 0 | 113.4 | N718 | N718-K720 PolarHBondContact O-N 3.31Š| ||
| 721 | K | 25.2 | Very low | 26 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | 177.6 | 115.6 | 116.7 | -96.9 | 165.1 | -178.3 | 177.9 | 0 | 113 | |||||
| 722 | F | 23.1 | Very low | 25.8 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -72.8 | 134 | 158.6 | -104.8 | -114.4 | 0 | 0 | 0 | 110.4 | ||||
| 723 | V | 26.2 | Very low | 25.5 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -152 | 103 | 145.8 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 724 | P | 31.3 | Very low | 25.5 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | trans | -83.3 | 157.2 | 148.7 | 35.2 | -31.6 | 0 | 0 | 0 | 109.3 | ||||
| 725 | P | 27.5 | Very low | 25.3 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | -158.2 | -160.3 | 62.1 | 43.5 | -20.4 | 0 | 0 | 0 | 116.8 | |||||
| 726 | T | 24.2 | Very low | 25.2 | Very low | 113 Ų | 113 | 147 Ų | 147 | 69% | 0.693 | 79% | 0.785 | S | S | * | * | trans | 66.8 | 107 | 154.3 | 49.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 727 | D | 22.9 | Very low | 25.3 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | 55.7 | 123 | 121.1 | -59.9 | -41 | 0 | 0 | 0 | 123.5 | |||||
| 728 | S | 22.7 | Very low | 25.4 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 58.8 | 102.8 | 139.5 | 67 | 0 | 0 | 0 | 0 | 120 | ||||
| 729 | S | 25.1 | Very low | 25.3 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | -158.1 | 159 | 129.5 | -6.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 730 | L | 22.1 | Very low | 25.3 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -85.7 | -172.9 | 164 | -65.1 | 92.9 | 0 | 0 | 0 | 109.8 | ||||
| 731 | V | 23.3 | Very low | 25.4 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 83.8 | 132.5 | 167.5 | -169.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 732 | H | 25.7 | Very low | 25.6 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | cis | -132.3 | 146.4 | 7.6 | -134.3 | -59 | 0 | 0 | 0 | 112.2 | ||||
| 733 | I | 22.5 | Very low | 25.7 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -102.8 | 140.7 | 161.5 | -65.7 | 170.9 | 0 | 0 | 0 | 108.6 | E735 | I733-E735 HydrophobicContact CG2-CG 4.27Š| ||
| 734 | P | 26.8 | Very low | 25.8 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | -104.2 | 124.2 | 154.1 | 11.6 | 8.5 | 0 | 0 | 0 | 110.8 | ||||
| 735 | E | 24.7 | Very low | 25.7 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -89.1 | 148.3 | 177.8 | -56.7 | 178.4 | 122.1 | 0 | 0 | 112.3 | I733 | I733-E735 HydrophobicContact CG2-CG 4.27Š| ||
| 736 | N | 26.8 | Very low | 25.8 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 165 | 146.8 | 153.1 | -81.8 | -47.1 | 0 | 0 | 0 | 107.3 | ||||
| 737 | R | 30 | Very low | 26.1 | Very low | 205 Ų | 205 | 139.2 Ų | 139.2 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | cis | -164.9 | 143.5 | -9.5 | -105.2 | 173.3 | -150.1 | 178.8 | 10.2 | 106.6 | ||||
| 738 | T | 29.1 | Very low | 26.5 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | cis | -159.3 | 161.8 | -13.3 | -8.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 739 | L | 23.6 | Very low | 26.6 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -140.5 | 127.4 | 174.8 | -116.7 | 172.5 | 0 | 0 | 0 | 109.4 | ||||
| 740 | K | 24.8 | Very low | 26.7 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 162.1 | 152.1 | 139.9 | -95.7 | 168.1 | -179 | 172 | 0 | 116.8 | ||||
| 741 | C | 26.9 | Very low | 27 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 68% | 0.676 | 78% | 0.781 | S | S | * | * | trans | -130.9 | -165.9 | 146.5 | -161.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 742 | F | 27.6 | Very low | 27 | Very low | 188 Ų | 188 | 153.5 Ų | 153.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -80.7 | 140.9 | -179.3 | -66.1 | -85.6 | 0 | 0 | 0 | 112.2 | ||||
| 743 | L | 27.1 | Very low | 26.9 | Very low | 115 Ų | 115 | 155 Ų | 155 | 60% | 0.602 | 78% | 0.781 | S | S | * | * | cis | 83.7 | 97.5 | 11.8 | -144.6 | -172.6 | 0 | 0 | 0 | 115.9 | ||||
| 744 | N | 27.3 | Very low | 27 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | 176.3 | 146.5 | 142.6 | -91 | -24.4 | 0 | 0 | 0 | 110.5 | ||||
| 745 | S | 29.9 | Very low | 26.9 | Very low | 103 Ų | 103 | 156.7 Ų | 156.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | cis | -166.6 | 128.8 | -7.7 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 746 | G | 29.4 | Very low | 26.9 | Very low | 84 Ų | 84 | 156.4 Ų | 156.4 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | 69.5 | 161.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 747 | A | 29.8 | Very low | 26.9 | Very low | 94 Ų | 94 | 156.5 Ų | 156.5 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | cis | -173.5 | 170.4 | -16.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 748 | L | 30.5 | Very low | 26.7 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | cis | -125.6 | -167.9 | 4.3 | -78.1 | 91.3 | 0 | 0 | 0 | 108.8 | ||||
| 749 | R | 26.6 | Very low | 26.6 | Very low | 215 Ų | 215 | 152.6 Ų | 152.6 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | cis | 78.7 | 143.8 | 15 | -64.2 | 171.9 | 177.6 | 175.1 | -2.3 | 115 | ||||
| 750 | R | 27.2 | Very low | 26.7 | Very low | 213 Ų | 213 | 150.5 Ų | 150.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -166.3 | 159.2 | 14.1 | -133.1 | 168.9 | -173.4 | 171.7 | -1.4 | 114.5 | ||||
| 751 | K | 27.5 | Very low | 26.9 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | 88.3 | 130.4 | 161.4 | -66.2 | 178.5 | 174.7 | -179.9 | 0 | 117.2 | ||||
| 752 | K | 24.2 | Very low | 26.9 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | cis | 92.2 | 100.6 | 21.7 | -165.3 | -171.2 | -179.8 | 174 | 0 | 116.3 | ||||
| 753 | R | 23.1 | Very low | 26.8 | Very low | 203 Ų | 203 | 146 Ų | 146 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | 164.3 | 136.4 | 126.6 | -89.3 | -134.8 | -162.9 | 103.5 | -11 | 115.4 | |||||
| 754 | D | 24.8 | Very low | 26.6 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 74.3 | 152.9 | 138.5 | -47 | -11 | 0 | 0 | 0 | 125.4 | ||||
| 755 | M | 25.1 | Very low | 26.6 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 73.5 | 91.7 | 167.2 | -62.2 | -170.5 | 74.2 | 0 | 0 | 121.3 | ||||
| 756 | E | 23.5 | Very low | 26.3 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | 13.7 | 125.2 | 122.1 | -58.3 | 167.2 | 146.7 | 0 | 0 | 119.1 | |||||
| 757 | T | 28.1 | Very low | 26 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | -176.5 | 125.1 | 107.6 | 21.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 758 | N | 25.1 | Very low | 25.8 | Very low | 133 Ų | 133 | 157 Ų | 157 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 46.7 | 136.9 | 139 | -79.5 | 49.4 | 0 | 0 | 0 | 125.6 | ||||
| 759 | D | 26.8 | Very low | 25.6 | Very low | 123 Ų | 123 | 158 Ų | 158 | 66% | 0.658 | 79% | 0.785 | S | S | * | * | trans | 84.4 | 92.9 | 136.5 | -56.2 | -20.2 | 0 | 0 | 0 | 122.9 | ||||
| 760 | T | 26.2 | Very low | 25.5 | Very low | 120 Ų | 120 | 156.6 Ų | 156.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | 57.7 | 104.3 | 129 | 62.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 761 | T | 28.4 | Very low | 25.5 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | -179.8 | 115.4 | 111.4 | 25.1 | 0 | 0 | 0 | 0 | 110.7 | I763 | T761-I763 PolarHBondContact O-N 3.07Š| |||
| 762 | G | 26.3 | Very low | 25.5 | Very low | 85 Ų | 85 | 149.6 Ų | 149.6 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -92.8 | 97.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 763 | I | 25.5 | Very low | 25.6 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -142 | 138.6 | 165.2 | -51.6 | -179.6 | 0 | 0 | 0 | 108.7 | T761 | T761-I763 PolarHBondContact O-N 3.07Š| ||
| 764 | K | 24.7 | Very low | 25.7 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 73.2 | 160.9 | -172.8 | -52.1 | 178.8 | 179.4 | 171.8 | 0 | 113.6 | ||||
| 765 | L | 25.8 | Very low | 25.6 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | cis | -123.1 | 139.9 | 4.8 | -95.9 | 92.2 | 0 | 0 | 0 | 112.6 | ||||
| 766 | S | 23.6 | Very low | 25.5 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -77.8 | 155.2 | 138.3 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 767 | W | 24.3 | Very low | 25.5 | Very low | 203 Ų | 203 | 146 Ų | 146 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 82.5 | 106.3 | -165.7 | -61.2 | 1.6 | 0 | 0 | 0 | 115.2 | ||||
| 768 | I | 25.3 | Very low | 25.3 | Very low | 142 Ų | 142 | 149.2 Ų | 149.2 | 73% | 0.728 | 80% | 0.802 | S | S | * | * | -166.1 | 94.3 | 123.2 | -91.5 | 149.7 | 0 | 0 | 0 | 107.7 | |||||
| 769 | L | 25.8 | Very low | 25.2 | Very low | 177 Ų | 177 | 150 Ų | 150 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -139.2 | 7.5 | 150.2 | -101.7 | 178.5 | 0 | 0 | 0 | 112.1 | ||
| 770 | E | 25.6 | Very low | 25.3 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -111.4 | 65.8 | 170.7 | -70 | -164.9 | 120.2 | 0 | 0 | 110.9 | ||
| 771 | S | 26.2 | Very low | 25.4 | Very low | 81 Ų | 81 | 151.7 Ų | 151.7 | 57% | 0.566 | 82% | 0.817 | S | S | * | * | trans | -159.3 | 36.4 | 173.9 | 50.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 772 | L | 27.6 | Very low | 25.1 | Very low | 182 Ų | 182 | 155 Ų | 155 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -110.3 | 81.6 | 159.9 | -77.2 | 178.7 | 0 | 0 | 0 | 110.6 | ||||
| 773 | G | 26 | Very low | 25.1 | Very low | 73 Ų | 73 | 156 Ų | 156 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -82.7 | 136.2 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 774 | I | 24.7 | Very low | 25.3 | Very low | 171 Ų | 171 | 154.6 Ų | 154.6 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -148.8 | 147.4 | 157.4 | -102.8 | 153.4 | 0 | 0 | 0 | 108.1 | ||||
| 775 | R | 22.7 | Very low | 25.3 | Very low | 232 Ų | 232 | 152.4 Ų | 152.4 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -69 | 143.8 | 177.9 | -58.1 | 167.5 | 178 | 160.6 | -3.4 | 110.5 | ||||
| 776 | C | 23.8 | Very low | 25.2 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 92% | 0.919 | 80% | 0.802 | S | S | * | * | trans | -140.2 | 145.8 | 140 | -123.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 777 | H | 23.8 | Very low | 25.5 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -87.5 | 141.7 | -177.5 | -113.5 | -104.6 | 0 | 0 | 0 | 110.3 | ||||
| 778 | E | 24.1 | Very low | 25.5 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -120 | 103.9 | 143.5 | -83 | -159.2 | 133.9 | 0 | 0 | 109.7 | ||||
| 779 | L | 22.9 | Very low | 25.7 | Very low | 149 Ų | 149 | 154.3 Ų | 154.3 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | -150.1 | 83 | 159.5 | -115.1 | 179.3 | 0 | 0 | 0 | 108.9 | ||||
| 780 | A | 27.4 | Very low | 25.7 | Very low | 92 Ų | 92 | 152 Ų | 152 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -97.5 | 130 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 781 | Q | 28.6 | Very low | 25.7 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | cis | -135 | 169.1 | 5.6 | -67.2 | 172.4 | -31.8 | 0 | 0 | 111.3 | ||||
| 782 | K | 23.5 | Very low | 25.6 | Very low | 213 Ų | 213 | 152 Ų | 152 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -89.9 | 139.7 | 173.7 | -64.5 | 174.6 | 179.9 | 173.6 | 0 | 111.3 | ||||
| 783 | S | 26.4 | Very low | 25.4 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -149.4 | 125.2 | 147.9 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 784 | T | 28.6 | Very low | 25.3 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 32.4 | 105 | 154.1 | 53.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 785 | E | 25.1 | Very low | 25.3 | Very low | 145 Ų | 145 | 155.9 Ų | 155.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | 99 | 131 | 69.4 | -85.4 | -127.4 | 116 | 0 | 0 | 113.5 | |||||
| 786 | K | 24 | Very low | 25.4 | Very low | 156 Ų | 156 | 156.7 Ų | 156.7 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 43.5 | 110.4 | 150.3 | -59.9 | 163.5 | -177.3 | 143.6 | 0 | 119.1 | ||||
| 787 | T | 29.1 | Very low | 25.4 | Very low | 149 Ų | 149 | 155.6 Ų | 155.6 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | -163.4 | 153.1 | 95.8 | 16.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 788 | K | 24.8 | Very low | 25.5 | Very low | 194 Ų | 194 | 155.6 Ų | 155.6 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -96.5 | 148 | 171.2 | -58 | 172.8 | -179.1 | 176 | 0 | 108.9 | ||||
| 789 | T | 29.2 | Very low | 25.6 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | -175.3 | 140.5 | 114.5 | 20.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 790 | N | 25.4 | Very low | 25.7 | Very low | 129 Ų | 129 | 149 Ų | 149 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | 28.2 | 143.2 | 129.8 | -57.8 | 2.1 | 0 | 0 | 0 | 119.7 | |||||
| 791 | M | 25.8 | Very low | 25.7 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -159.8 | 145.4 | 22.8 | -130.9 | 148.3 | -167.1 | 0 | 0 | 113.7 | ||||
| 792 | N | 24.6 | Very low | 25.6 | Very low | 118 Ų | 118 | 147 Ų | 147 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | trans | 32.7 | 130.4 | 138.5 | -64.2 | 6.1 | 0 | 0 | 0 | 123.1 | ||||
| 793 | M | 23.9 | Very low | 25.7 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | 60.8 | 157.8 | 120.2 | -56.5 | 167.8 | 173.1 | 0 | 0 | 119.4 | |||||
| 794 | D | 23.6 | Very low | 25.6 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | -151.9 | 176.9 | 8.5 | -142.4 | -24.7 | 0 | 0 | 0 | 113.5 | ||||
| 795 | Y | 23.7 | Very low | 25.5 | Very low | 209 Ų | 209 | 148 Ų | 148 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | trans | -66 | 139.3 | 162.1 | -99.2 | -112.2 | 0 | 0 | 0 | 112.2 | ||||
| 796 | R | 24.2 | Very low | 25.5 | Very low | 248 Ų | 248 | 147.8 Ų | 147.8 | 94% | 0.936 | 75% | 0.752 | S | S | * | * | trans | -169.2 | 169.9 | 132.5 | -107 | 157.7 | -168.9 | -162 | 1.3 | 115.4 | ||||
| 797 | R | 24.1 | Very low | 25.7 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 43% | 0.43 | 75% | 0.749 | S | S | . | * | trans | -80.1 | -177 | -170.9 | -57.4 | 176.6 | -170.8 | 165 | 1.3 | 113.5 | E1376 S1377 | R797-E1376 WeakPolarHBondContact CD-OE1 3.25Å; R797-E1376 VanDerWaalsContact CG-OE1 3.29Å; R797-E1376 WeakPolarHBondContact CG-OE1 3.28Å; R797-E1376 IonicContact CZ-OE1 3.88Å; R797-E1376 IonicContact CZ-OE2 3.23Å; R797-E1376 VanDerWaalsContact CZ-OE2 3.23Å; R797-E1376 IonicContact NE-OE1 2.95Å; R797-E1376 PolarHBondContact NE-OE1 3.15Å; R797-E1376 IonicContact NE-OE2 2.95Å; R797-E1376 PolarHBondContact NE-OE2 2.9Å; R797-E1376 VanDerWaalsContact NH2-CB 3.35Å; R797-E1376 IonicContact NH2-OE2 2.71Å; R797-E1376 PolarHBondContact NH2-OE2 3.26Å; R797-S1377 PolarHBondContact NH2-OG 2.6Å | ||
| 798 | H | 27.2 | Very low | 25.8 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 73.7 | 155.9 | 165.1 | -61.4 | -76.6 | 0 | 0 | 0 | 116.5 | ||||
| 799 | S | 25.1 | Very low | 26.1 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | cis | -172.3 | 151.8 | -48 | 43.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 800 | S | 26.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | 35.3 | 103.1 | 158.1 | 57.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 801 | G | 27.6 | Very low | 26.5 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -162.7 | 119.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 802 | N | 25.3 | Very low | 26.7 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -94.9 | -173 | 167.2 | -94.4 | -29.3 | 0 | 0 | 0 | 109.7 | ||||
| 803 | V | 26.4 | Very low | 27 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 80.6 | 103.8 | 172.3 | -161.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 804 | R | 23 | Very low | 27 | Very low | 225 Ų | 225 | 143.5 Ų | 143.5 | 85% | 0.849 | 75% | 0.745 | S | S | * | * | 61.2 | 122.1 | 75.5 | -145.1 | -179.5 | -164.8 | 175.7 | 4.4 | 108.5 | |||||
| 805 | V | 27.3 | Very low | 27.3 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | -157.5 | 167.2 | 72.1 | 158.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 806 | Q | 25.2 | Very low | 27.5 | Very low | 141 Ų | 141 | 140 Ų | 140 | 66% | 0.659 | 74% | 0.738 | S | S | * | * | trans | -51.2 | 167.7 | 171.1 | -64.3 | 132.4 | -73.6 | 0 | 0 | 113.1 | ||||
| 807 | H | 29.2 | Very low | 27.6 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 61% | 0.611 | 73% | 0.733 | S | S | * | * | -165.4 | 148.9 | 56.6 | -87.9 | -93.9 | 0 | 0 | 0 | 114.6 | |||||
| 808 | H | 29.9 | Very low | 27.8 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | trans | 58.2 | 153.8 | 142.6 | -63.3 | -29.2 | 0 | 0 | 0 | 119.9 | ||||
| 809 | S | 31 | Very low | 27.9 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | cis | -165.3 | 158.5 | -10.5 | 38.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 810 | G | 31.9 | Very low | 27.9 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | cis | -161.9 | -169.6 | -1.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 811 | S | 32.1 | Very low | 27.9 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -144.8 | 127.9 | 3.6 | -71.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 812 | K | 28.4 | Very low | 27.8 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 70% | 0.7 | 75% | 0.752 | S | S | * | * | 52.7 | 120.3 | 101.2 | -56.6 | 176.5 | 176.7 | 179.7 | 0 | 112 | F814 | K812-F814 HydrophobicContact CD-CE2 4.39Å; K812-F814 HydrophobicContact CG-CE2 4.14Å | |||
| 813 | Q | 30.9 | Very low | 27.6 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | cis | -156.8 | 165.8 | 47.4 | -74.6 | 168.1 | -35.7 | 0 | 0 | 111.1 | ||||
| 814 | F | 25.8 | Very low | 27.5 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | cis | -172.6 | 158.8 | -40.6 | -121.1 | -41.2 | 0 | 0 | 0 | 109.8 | K812 | K812-F814 HydrophobicContact CD-CE2 4.39Å; K812-F814 HydrophobicContact CG-CE2 4.14Å | ||
| 815 | I | 28.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 65% | 0.651 | 75% | 0.75 | S | S | * | * | trans | 76.3 | 93 | 147.5 | -66.2 | 164.7 | 0 | 0 | 0 | 119.7 | ||||
| 816 | D | 27.9 | Very low | 27.4 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | 77.4 | 161.2 | 114.6 | -51.9 | -15.9 | 0 | 0 | 0 | 125 | |||||
| 817 | T | 27.5 | Very low | 27.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | -125.6 | 147.8 | -164.3 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 818 | P | 27.4 | Very low | 27 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -131.2 | 173.2 | 146.4 | 25.8 | -6 | 0 | 0 | 0 | 113.2 | ||||
| 819 | P | 30.4 | Very low | 26.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -97.4 | 163.6 | -175.3 | 37.6 | -35.4 | 0 | 0 | 0 | 114.9 | ||||
| 820 | S | 25.1 | Very low | 26.5 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 70.2 | 172.3 | 161.2 | -59.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 821 | V | 26.5 | Very low | 26.2 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 82.3 | 157.5 | 167.8 | -170.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 822 | Q | 23.6 | Very low | 25.8 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | trans | -75.7 | 176.6 | -170.1 | -48.4 | 168 | -15.6 | 0 | 0 | 113.7 | ||||
| 823 | K | 22.6 | Very low | 25.7 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 74% | 0.735 | 78% | 0.779 | S | S | * | * | trans | 74.7 | 120 | 153.2 | -77.4 | 163.7 | -179.6 | 167.4 | 0 | 114.9 | ||||
| 824 | F | 23 | Very low | 25.4 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | 83.9 | 157.4 | 78.7 | -111.1 | -92.3 | 0 | 0 | 0 | 112.1 | |||||
| 825 | L | 23.2 | Very low | 25.8 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 75.7 | 151.8 | -172.7 | -49.5 | 175.1 | 0 | 0 | 0 | 113.6 | ||||
| 826 | S | 24.8 | Very low | 26 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | -128.3 | 146.4 | 9.7 | -50.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 827 | F | 22.5 | Very low | 26.1 | Very low | 175 Ų | 175 | 130 Ų | 130 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | trans | -67.6 | 161.9 | 149.3 | -109.9 | -108.3 | 0 | 0 | 0 | 109.9 | T1041 | F827-T1041 HydrophobicContact CZ-CG2 4.44Š| ||
| 828 | S | 24.1 | Very low | 26.2 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 51.2 | 119.7 | 150.4 | 62.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 829 | G | 25.8 | Very low | 26.3 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -170.7 | 140.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 830 | S | 24.2 | Very low | 26.1 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | cis | -163.9 | 94.8 | -11 | 51.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 831 | A | 25.9 | Very low | 26.4 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -165.3 | 125.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 832 | S | 24.7 | Very low | 26.5 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | cis | 75.3 | 67.2 | 15.7 | 90.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 833 | N | 25.3 | Very low | 26.6 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | -173.2 | 144.6 | 104.1 | -88.1 | 5.3 | 0 | 0 | 0 | 111.9 | |||||
| 834 | D | 25 | Very low | 26.8 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | trans | 66.9 | 150.1 | 159.3 | -51.3 | -35.2 | 0 | 0 | 0 | 118.9 | ||||
| 835 | P | 33.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 112.4 Ų | 112.4 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | -138.4 | -178.4 | -82.1 | 31.3 | -9.5 | 0 | 0 | 0 | 116 | |||||
| 836 | S | 33.7 | Very low | 26.8 | Very low | 103 Ų | 103 | 110.8 Ų | 110.8 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | trans | 76.2 | 136.5 | 158.7 | 76.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 837 | D | 29.6 | Very low | 26.7 | Very low | 140 Ų | 140 | 110.4 Ų | 110.4 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | cis | -161.7 | 165.8 | -15.2 | -126.2 | -53.7 | 0 | 0 | 0 | 114 | ||||
| 838 | C | 29.8 | Very low | 27 | Very low | 112 Ų | 112 | 109.1 Ų | 109.1 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | trans | 63.2 | 138 | 163.5 | -65.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 839 | V | 28 | Very low | 27 | Very low | 109 Ų | 109 | 109.4 Ų | 109.4 | 66% | 0.661 | 68% | 0.681 | S | S | * | * | cis | 162.6 | 104.6 | -24.9 | 144.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 840 | F | 26.1 | Very low | 26.9 | Very low | 136 Ų | 136 | 115.2 Ų | 115.2 | 60% | 0.596 | 68% | 0.681 | S | S | * | * | trans | 55.5 | -174.1 | 140.9 | -63.8 | -81.4 | 0 | 0 | 0 | 119.8 | N1043 | F840-N1043 HydrophobicContact CD1-CB 4.07Å; F840-N1043 HydrophobicContact CE1-CB 4.42Å | ||
| 841 | P | 32.1 | Very low | 26.8 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 47% | 0.474 | 68% | 0.675 | S | S | . | * | -135.2 | 166.2 | -69.8 | 39.3 | -23.7 | 0 | 0 | 0 | 119.6 | T1042 N1043 | P841-T1042 WeakPolarHBondContact CA-O 3.41Å; P841-N1043 HydrophobicContact CB-CB 3.73Å | |||
| 842 | N | 28.6 | Very low | 26.8 | Very low | 97 Ų | 97 | 115.8 Ų | 115.8 | 52% | 0.519 | 67% | 0.669 | S | S | . | * | trans | 161.9 | 121.6 | 130.3 | -75.1 | 6.7 | 0 | 0 | 0 | 123.8 | N1043 D1044 H1045 | N842-N1043 CarbonylContact C-O 3.39Å; N842-N1043 WeakPolarHBondContact CA-O 3.5Å; N842-D1044 CarbonylContact C-O 3.54Å; N842-D1044 WeakPolarHBondContact CA-O 3.4Å; N842-D1044 WeakPolarHBondContact CB-O 3.46Å; N842-D1044 WeakPolarHBondContact OD1-CA 3.48Å; N842-D1044 PolarHBondContact OD1-N 2.64Å; N842-D1044 PolarHBondContact OD1-O 3.25Å; N842-H1045 PolarHBondContact ND2-O 3.03Å | ||
| 843 | I | 24.9 | Very low | 26.7 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 46% | 0.456 | 67% | 0.671 | S | S | . | * | trans | -58 | -179.3 | 154.3 | -95 | 163.4 | 0 | 0 | 0 | 114.5 | N1043 D1044 H1045 | I843-N1043 WeakPolarHBondContact CB-O 3.15Å; I843-N1043 VanDerWaalsContact CD1-O 3.31Å; I843-N1043 WeakPolarHBondContact CD1-O 3.35Å; I843-N1043 WeakPolarHBondContact CG1-O 3.47Å; I843-N1043 PolarHBondContact N-O 3.22Å; I843-D1044 CarbonylContact C-O 3.51Å; I843-D1044 WeakPolarHBondContact CA-O 3.31Å; I843-D1044 WeakPolarHBondContact CB-O 3.37Å; I843-D1044 PolarHBondContact N-O 2.72Å; I843-H1045 CarbonylContact O-C 3.57Å | ||
| 844 | P | 27.9 | Very low | 26.6 | Very low | 57 Ų | 57 | 116.3 Ų | 116.3 | 37% | 0.37 | 67% | 0.671 | S | S | . | * | cis | -128.1 | -179.4 | -4.6 | 43.8 | -28.5 | 0 | 0 | 0 | 117.1 | W1046 | P844-W1046 VanDerWaalsContact CD-O 3.23Å; P844-W1046 WeakPolarHBondContact CD-O 3.28Å | ||
| 845 | S | 23.2 | Very low | 26.6 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | trans | 20.8 | 136.4 | 139.5 | 75.4 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 846 | V | 23.2 | Very low | 26.3 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 76% | 0.758 | 67% | 0.674 | S | S | * | * | 72.3 | 148.1 | 127.2 | 172.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 847 | T | 22.9 | Very low | 25.9 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 64% | 0.638 | 68% | 0.676 | S | S | * | * | trans | 75.4 | 126.4 | 167.9 | 30.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 848 | N | 27.6 | Very low | 25.8 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | trans | -48.4 | 152 | 148.7 | -108.8 | -5.4 | 0 | 0 | 0 | 110.9 | ||||
| 849 | P | 25.4 | Very low | 25.7 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | -150.5 | -177.6 | 87.1 | 41.8 | -24.4 | 0 | 0 | 0 | 117.4 | |||||
| 850 | Y | 22.7 | Very low | 25.8 | Very low | 197 Ų | 197 | 120.7 Ų | 120.7 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -65 | 164.9 | 168.5 | -96.6 | -116.6 | 0 | 0 | 0 | 114.5 | ||||
| 851 | N | 23.3 | Very low | 25.9 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | trans | 74.9 | 158.1 | 142.4 | -85.9 | 6.8 | 0 | 0 | 0 | 121.7 | ||||
| 852 | S | 24.7 | Very low | 25.6 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | 69.5 | 138.9 | 155.6 | 57.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 853 | D | 23.2 | Very low | 25.7 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | cis | -163.6 | -165.6 | -18.6 | -113.7 | -44.1 | 0 | 0 | 0 | 108.9 | ||||
| 854 | C | 23.8 | Very low | 25.9 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | 72.9 | 94.1 | 163.6 | -57.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 855 | S | 24.4 | Very low | 25.7 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | 82.6 | 92 | 64.2 | 74.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 856 | T | 27.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 179 | 147.4 | 143.6 | 39.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 857 | L | 26.2 | Very low | 25.8 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | cis | -177.7 | 137 | -31.2 | -123.3 | 169.3 | 0 | 0 | 0 | 104.5 | ||||
| 858 | T | 27.2 | Very low | 26 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | 63.9 | 155.5 | 179.3 | 76.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 859 | N | 26.4 | Very low | 25.8 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -156.1 | -177.8 | -32.7 | -102.1 | -11.1 | 0 | 0 | 0 | 107.2 | ||||
| 860 | E | 30 | Very low | 25.6 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 72.8 | 123 | -178 | -49.6 | -76 | 116.3 | 0 | 0 | 115.7 | ||||
| 861 | L | 29.6 | Very low | 25.6 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | cis | -153.5 | 154.4 | -36.9 | -119.9 | 164.9 | 0 | 0 | 0 | 109.1 | ||||
| 862 | S | 25.2 | Very low | 25.6 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | trans | -39.3 | 159.1 | -178.8 | 55.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 863 | L | 30.5 | Very low | 25.5 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | cis | -134.4 | 162 | 15.4 | -72.6 | 82.6 | 0 | 0 | 0 | 112.4 | ||||
| 864 | R | 28.8 | Very low | 25.6 | Very low | 249 Ų | 249 | 134.7 Ų | 134.7 | 94% | 0.94 | 75% | 0.748 | S | S | * | * | trans | -146.1 | 123.1 | 173.2 | -73.7 | -176.8 | 175 | -179.4 | -0.7 | 114.4 | ||||
| 865 | S | 24.5 | Very low | 25.7 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | 179.5 | 167.4 | 151.5 | 59.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 866 | T | 28.1 | Very low | 25.7 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | cis | -138.8 | 176.6 | 18.7 | 54 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 867 | K | 20.7 | Very low | 25.7 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -89 | 142.7 | 158.8 | -56.9 | 170.5 | -176 | 170.4 | 0 | 109 | I869 | K867-I869 HydrophobicContact CB-CG1 4.18Å; K867-I869 HydrophobicContact CD-CD1 3.92Å; K867-I869 HydrophobicContact CD-CG1 3.89Å; K867-I869 PolarHBondContact O-N 3.16Å | ||
| 868 | P | 26.7 | Very low | 25.7 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -83.4 | 93.4 | 144.1 | 31.6 | -27 | 0 | 0 | 0 | 108.4 | ||||
| 869 | I | 22.5 | Very low | 25.8 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | trans | -67.7 | 149.2 | 157.1 | -73.8 | 173.9 | 0 | 0 | 0 | 107.3 | K867 V871 | K867-I869 HydrophobicContact CB-CG1 4.18Å; K867-I869 HydrophobicContact CD-CD1 3.92Å; K867-I869 HydrophobicContact CD-CG1 3.89Å; K867-I869 PolarHBondContact O-N 3.16Å; I869-V871 PolarHBondContact O-N 2.86Å | ||
| 870 | S | 23 | Very low | 25.8 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | -44.2 | 123.9 | 178.2 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 871 | V | 22 | Very low | 25.6 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | trans | -112.9 | 129.2 | 146.3 | -179.4 | 0 | 0 | 0 | 0 | 107.1 | I869 M873 | I869-V871 PolarHBondContact O-N 2.86Å; V871-M873 HydrophobicContact CG1-CE 4.46Å | ||
| 872 | N | 23.2 | Very low | 25.4 | Very low | 118 Ų | 118 | 135 Ų | 135 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | trans | -82 | 118.2 | -177.7 | -171.3 | 49.9 | 0 | 0 | 0 | 109.2 | ||||
| 873 | M | 23.5 | Very low | 25.6 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -134.9 | 115.2 | 171.5 | -73.6 | -169.7 | 169.5 | 0 | 0 | 110.5 | V871 | V871-M873 HydrophobicContact CG1-CE 4.46Š| ||
| 874 | N | 23.6 | Very low | 25.5 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 55% | 0.551 | 70% | 0.704 | S | S | * | * | trans | -73.9 | 134.1 | 164.8 | -54.2 | -40.2 | 0 | 0 | 0 | 107.9 | ||||
| 875 | Y | 25.9 | Very low | 25.4 | Very low | 214 Ų | 214 | 126.5 Ų | 126.5 | 84% | 0.839 | 68% | 0.683 | S | S | * | * | trans | -143.3 | 95.6 | 153.8 | -94.2 | -73 | 0 | 0 | 0 | 109.4 | ||||
| 876 | D | 24.6 | Very low | 25.7 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | trans | -75.7 | 157.5 | 150.7 | -80 | -56.5 | 0 | 0 | 0 | 108.9 | ||||
| 877 | S | 27.2 | Very low | 25.8 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | trans | 81.1 | 148.7 | 169.1 | -37.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 878 | L | 26.8 | Very low | 26.2 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 82% | 0.822 | 67% | 0.666 | S | S | * | * | trans | 72.6 | 150.5 | 163.4 | -57.9 | 140 | 0 | 0 | 0 | 118.3 | ||||
| 879 | H | 28.6 | Very low | 26.3 | Very low | 149 Ų | 149 | 125.6 Ų | 125.6 | 69% | 0.69 | 66% | 0.659 | S | S | * | * | cis | -169.2 | 148.1 | -45.8 | -124.8 | -84.8 | 0 | 0 | 0 | 108.9 | ||||
| 880 | K | 26.6 | Very low | 26.5 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 47% | 0.474 | 67% | 0.668 | S | S | . | * | trans | 60.3 | 165.1 | 161.4 | -71.1 | 174.4 | -175.6 | -177.4 | 0 | 118.5 | L963 E965 | K880-L963 HydrophobicContact CD-CD1 4.28Å; K880-L963 HydrophobicContact CD-CD2 3.65Å; K880-L963 HydrophobicContact CD-CG 4.3Å; K880-L963 VanDerWaalsContact NZ-CD2 3.33Å; K880-E965 IonicContact NZ-OE1 2.57Å; K880-E965 PolarHBondContact NZ-OE1 3.23Å | ||
| 881 | P | 26 | Very low | 26.7 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 69% | 0.688 | 67% | 0.666 | S | S | * | * | trans | -102.5 | -176.2 | -179.6 | 41.1 | -35.2 | 0 | 0 | 0 | 113.5 | ||||
| 882 | L | 24.8 | Very low | 27 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 53% | 0.534 | 66% | 0.663 | S | S | . | * | trans | -127.2 | 124 | -154.1 | -61.6 | 176.8 | 0 | 0 | 0 | 115.4 | Q960 L961 | L882-Q960 VanDerWaalsContact CB-O 3.3Å; L882-Q960 WeakPolarHBondContact CB-O 3.46Å; L882-L961 HydrophobicContact CD2-CB 3.82Å; L882-L961 HydrophobicContact CD2-CD2 3.83Å; L882-L961 HydrophobicContact CD2-CG 3.72Å | ||
| 883 | I | 29.6 | Very low | 27.2 | Very low | 137 Ų | 137 | 128 Ų | 128 | 70% | 0.703 | 67% | 0.672 | S | S | * | * | trans | -151.7 | 95.2 | 170.1 | -40 | 173.7 | 0 | 0 | 0 | 115 | L961 | I883-L961 VanDerWaalsContact C-N 3.34Å; I883-L961 CarbonylContact C-O 2.92Å; I883-L961 VanDerWaalsContact N-N 3.16Å; I883-L961 CarbonylContact O-C 3.59Å | ||
| 884 | I | 29.3 | Very low | 27.4 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 47% | 0.467 | 66% | 0.664 | S | S | . | * | trans | -125.1 | 157.5 | 171.2 | 27.2 | 142.7 | 0 | 0 | 0 | 111.2 | Q960 L961 | I884-Q960 HydrophobicContact CB-CB 4.38Å; I884-Q960 HydrophobicContact CD1-CG 3.9Å; I884-Q960 HydrophobicContact CG1-CB 3.85Å; I884-Q960 HydrophobicContact CG1-CG 3.78Å; I884-Q960 WeakPolarHBondContact O-CB 3.4Å; I884-L961 VanDerWaalsContact CA-O 3.31Å; I884-L961 WeakPolarHBondContact CA-O 3.45Å; I884-L961 WeakPolarHBondContact CB-O 3.46Å; I884-L961 HydrophobicContact CD1-CB 4.49Å; I884-L961 HydrophobicContact CD1-CD1 3.63Å; I884-L961 HydrophobicContact CG1-CB 3.7Å; I884-L961 HydrophobicContact CG1-CD1 3.68Å; I884-L961 HydrophobicContact CG1-CG 4.29Å; I884-L961 WeakPolarHBondContact CG1-O 3.13Å; I884-L961 WeakPolarHBondContact CG2-O 3.47Å; I884-L961 PolarHBondContact N-O 2.77Å | ||
| 885 | D | 26.7 | Very low | 27.6 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 51% | 0.508 | 68% | 0.679 | S | S | . | * | -174.3 | 152.8 | 119.5 | -102.1 | 19.2 | 0 | 0 | 0 | 102.4 | Q960 | D885-Q960 PolarHBondContact OD1-NE2 3.02Å; D885-Q960 PolarHBondContact OD2-NE2 2.8Å | |||
| 886 | N | 29.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | cis | -154.5 | 177.9 | 10.8 | -127.9 | -39.4 | 0 | 0 | 0 | 111.4 | ||||
| 887 | D | 30.1 | Very low | 27.9 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | trans | 65 | 104.7 | 151.4 | -74.3 | -52.8 | 0 | 0 | 0 | 121.7 | ||||
| 888 | Q | 29.3 | Very low | 27.9 | Very low | 155 Ų | 155 | 120.6 Ų | 120.6 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | 95.4 | 140.7 | 114.7 | -81.3 | -178.3 | 64.1 | 0 | 0 | 123.5 | |||||
| 889 | L | 29 | Very low | 28 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 71% | 0.712 | 69% | 0.686 | S | S | * | * | trans | 67.2 | 101.1 | 160.3 | -61.8 | 166.1 | 0 | 0 | 0 | 117.4 | ||||
| 890 | I | 26.6 | Very low | 27.9 | Very low | 156 Ų | 156 | 117.4 Ų | 117.4 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | 93.2 | 137.3 | 71.5 | -81.9 | -173.1 | 0 | 0 | 0 | 112.3 | |||||
| 891 | P | 28.1 | Very low | 27.9 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -122 | -169.8 | -130.5 | 43.8 | -34.1 | 0 | 0 | 0 | 113.8 | ||||
| 892 | S | 27.7 | Very low | 27.9 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | 175.1 | 151.1 | 126.3 | 45.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 893 | L | 27.7 | Very low | 28 | Very low | 157 Ų | 157 | 124.8 Ų | 124.8 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | 54 | 147 | 144.9 | -62.8 | 161.1 | 0 | 0 | 0 | 121 | ||||
| 894 | S | 27.8 | Very low | 27.8 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | cis | -177.8 | 136.3 | -25.4 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 895 | S | 27.6 | Very low | 27.7 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | trans | 62.4 | 166.1 | 164.4 | 77.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 896 | S | 29.5 | Very low | 27.7 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | cis | -142.1 | 161.8 | 0.6 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 897 | A | 26.8 | Very low | 27.4 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -82.7 | 155.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 898 | S | 28.5 | Very low | 27.1 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -142.8 | 153.4 | 162.5 | 56.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 899 | P | 28.4 | Very low | 27 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | trans | -93.1 | 167.6 | -159.8 | -4.4 | 25.7 | 0 | 0 | 0 | 115.1 | ||||
| 900 | P | 25.4 | Very low | 26.8 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -75.6 | 141.4 | 178.4 | 31.5 | -35.2 | 0 | 0 | 0 | 113 | ||||
| 901 | I | 27.5 | Very low | 26.7 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -126 | 151.8 | 175.9 | -65.6 | -179.4 | 0 | 0 | 0 | 109.7 | ||||
| 902 | I | 25.7 | Very low | 26.6 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | trans | -112 | 121.7 | -159.4 | -64.4 | 171.1 | 0 | 0 | 0 | 112 | ||||
| 903 | Q | 26.8 | Very low | 26.6 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | 60.5 | 164.7 | 165.3 | -60.1 | -176.4 | -49.9 | 0 | 0 | 115.5 | ||||
| 904 | P | 26.4 | Very low | 26.4 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | -126.9 | 169.9 | 70.8 | 34.4 | -20.5 | 0 | 0 | 0 | 114.3 | |||||
| 905 | S | 25.3 | Very low | 26.3 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | -113.2 | 122.1 | 170 | 57.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 906 | Q | 26.9 | Very low | 26.3 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -173.9 | 131.5 | 155.9 | -100 | 151.5 | 25.2 | 0 | 0 | 106.1 | ||||
| 907 | C | 24.2 | Very low | 26.2 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 65.4 | 101.5 | 59.3 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 908 | I | 23.7 | Very low | 26.1 | Very low | 159 Ų | 159 | 144 Ų | 144 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | 171.8 | 122.2 | 127.9 | -87.8 | 152.9 | 0 | 0 | 0 | 109 | |||||
| 909 | L | 27.5 | Very low | 26.1 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | -165.4 | 120.5 | 125.4 | -104.9 | 169 | 0 | 0 | 0 | 108.7 | |||||
| 910 | K | 25.4 | Very low | 25.9 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -105.1 | 149.8 | 167.4 | -73.4 | -178.7 | 166.9 | -164.5 | 0 | 107.7 | ||||
| 911 | S | 24.7 | Very low | 25.9 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | -175 | 161.1 | 124.9 | -155.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 912 | L | 24.8 | Very low | 25.7 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 66.4 | 124.8 | -173.8 | -71 | 83.2 | 0 | 0 | 0 | 115 | ||
| 913 | E | 27.9 | Very low | 25.7 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 77% | 0.771 | 82% | 0.815 | S | S | * | * | cis | -152.5 | 125.1 | -11 | -138.5 | 152.1 | -136.4 | 0 | 0 | 110.2 | ||||
| 914 | D | 24.2 | Very low | 25.5 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -99.5 | 101.4 | 167.5 | -87.7 | -56 | 0 | 0 | 0 | 106.8 | ||||
| 915 | D | 25.6 | Very low | 25.3 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -150.7 | 164.1 | 167.5 | -137.9 | -30.3 | 0 | 0 | 0 | 112.1 | ||||
| 916 | I | 27.9 | Very low | 25.2 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 63.5 | 56.7 | -172.9 | -37 | -179.4 | 0 | 0 | 0 | 114 | ||||
| 917 | L | 27 | Very low | 25.1 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -76.6 | 162 | 134.6 | -95.4 | 167.9 | 0 | 0 | 0 | 109.5 | ||||
| 918 | T | 24.6 | Very low | 25.2 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 68.8 | 84.6 | 175.5 | 67.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 919 | N | 27.9 | Very low | 25.3 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | -162.5 | 129.3 | 118.1 | -100.7 | -51.5 | 0 | 0 | 0 | 110.1 | |||||
| 920 | G | 24.6 | Very low | 25.3 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -105 | 136.2 | -165 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 921 | L | 26.4 | Very low | 25.3 | Very low | 178 Ų | 178 | 142 Ų | 142 | 93% | 0.932 | 75% | 0.745 | S | S | * | * | trans | -134.8 | 133.1 | 154.6 | -98.5 | 170.1 | 0 | 0 | 0 | 109.5 | ||||
| 922 | L | 22 | Very low | 25.4 | Very low | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -82 | 116.7 | -170.2 | -78.8 | 149.8 | 0 | 0 | 0 | 112.3 | ||||
| 923 | F | 25.6 | Very low | 25.3 | Very low | 205 Ų | 205 | 144.7 Ų | 144.7 | 90% | 0.899 | 74% | 0.739 | S | S | * | * | trans | -138.3 | 117.7 | 151.3 | -89.2 | -77 | 0 | 0 | 0 | 111.6 | ||||
| 924 | H | 22.3 | Very low | 25.2 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 51% | 0.514 | 74% | 0.736 | S | S | . | * | trans | -66.3 | 143.3 | 158.7 | -89.8 | -88.2 | 0 | 0 | 0 | 109.6 | Y408 | Y408-H924 PolarHBondContact OH-CD2 3.47Å; Y408-H924 VanDerWaalsContact OH-CD2 3.3Å | ||
| 925 | N | 23.7 | Very low | 25.3 | Very low | 88 Ų | 88 | 144.2 Ų | 144.2 | 47% | 0.471 | 73% | 0.729 | S | S | . | * | -176.9 | 165.9 | 116.7 | -89.5 | -33.6 | 0 | 0 | 0 | 112.8 | S406 P407 | S406-N925 WeakPolarHBondContact CA-OD1 3.43Å; S406-N925 WeakPolarHBondContact CB-OD1 3.42Å; P407-N925 WeakPolarHBondContact CD-OD1 3.24Å | |||
| 926 | Y | 23 | Very low | 25.2 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 65% | 0.651 | 74% | 0.736 | S | S | * | * | trans | -53.8 | 143.4 | 161.9 | -64.9 | -107.7 | 0 | 0 | 0 | 111.5 | P407 | P407-Y926 HydrophobicContact CG-CE2 4.48Š| ||
| 927 | H | 25.4 | Very low | 25 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 46% | 0.458 | 73% | 0.731 | S | S | . | * | trans | -168.8 | 106.8 | 142.3 | -102.5 | -77.7 | 0 | 0 | 0 | 111 | D929 | H927-D929 PolarHBondContact ND1-O 2.84Š| ||
| 928 | E | 24.9 | Very low | 25 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 95% | 0.949 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -105.6 | 56.7 | 151 | -84.2 | -166.7 | 165.6 | 0 | 0 | 107.6 | ||
| 929 | D | 26.6 | Very low | 25.1 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 58% | 0.578 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -162.4 | 122.5 | 178.7 | -113.2 | -36.2 | 0 | 0 | 0 | 108.6 | H927 | H927-D929 PolarHBondContact ND1-O 2.84Š|
| 930 | I | 26.5 | Very low | 25 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 52% | 0.523 | 72% | 0.719 | S | S | . | * | trans | 58.7 | 92.7 | 165.3 | -43.2 | 176.7 | 0 | 0 | 0 | 117.5 | A402 Y932 | A402-I930 HydrophobicContact CB-CD1 4.06Å; I930-Y932 HydrophobicContact CG2-CD2 3.98Å; I930-Y932 HydrophobicContact CG2-CE2 3.91Å | ||
| 931 | D | 25.9 | Very low | 25.1 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -156.1 | 152.2 | 139.1 | -103.1 | -30.1 | 0 | 0 | 0 | 107.9 | ||||
| 932 | Y | 26.6 | Very low | 25.1 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 67% | 0.667 | 70% | 0.699 | S | S | * | * | -161.6 | 157.7 | -55.5 | -130.2 | -76.4 | 0 | 0 | 0 | 107 | I930 | I930-Y932 HydrophobicContact CG2-CD2 3.98Å; I930-Y932 HydrophobicContact CG2-CE2 3.91Å | |||
| 933 | L | 23.4 | Very low | 25.4 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | trans | 74 | 150.4 | 165 | -57.9 | 164.9 | 0 | 0 | 0 | 119.8 | ||||
| 934 | F | 24.5 | Very low | 25.4 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 70% | 0.697 | 69% | 0.689 | S | S | * | * | trans | 56 | 74.8 | 167.9 | -54.6 | -67.4 | 0 | 0 | 0 | 119.7 | ||||
| 935 | H | 27.2 | Very low | 25.7 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | -174.6 | 119.6 | 94.5 | -103.3 | -86.2 | 0 | 0 | 0 | 110.4 | T937 | H935-T937 PolarHBondContact O-N 2.95Š| |||
| 936 | T | 23.8 | Very low | 25.9 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 91% | 0.914 | 71% | 0.711 | S | S | * | * | trans | -98.9 | 66.6 | 173.7 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 937 | T | 24.1 | Very low | 26.2 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | trans | -90.1 | 119.8 | 164.7 | 38.1 | 0 | 0 | 0 | 0 | 109.1 | H935 | H935-T937 PolarHBondContact O-N 2.95Š| ||
| 938 | S | 25.7 | Very low | 26.3 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -66.7 | 141.9 | 166.2 | 40.7 | 0 | 0 | 0 | 0 | 109.3 | Q940 | S938-Q940 VanDerWaalsContact C-N 3.3Å; S938-Q940 PolarHBondContact O-N 2.89Å | ||
| 939 | P | 26.7 | Very low | 26.2 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | trans | -67.8 | 97.7 | 156.4 | 29.1 | -29.9 | 0 | 0 | 0 | 106.7 | ||||
| 940 | Q | 26 | Very low | 26.1 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -58.3 | 146.6 | 170.4 | -83.1 | -177.4 | -62.9 | 0 | 0 | 109.9 | S938 | S938-Q940 VanDerWaalsContact C-N 3.3Å; S938-Q940 PolarHBondContact O-N 2.89Å | ||
| 941 | E | 28 | Very low | 26.1 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 55% | 0.551 | 74% | 0.744 | S | S | * | * | trans | -71.2 | 136.9 | -180 | -60.1 | 174.5 | 132.6 | 0 | 0 | 109.7 | L943 | E941-L943 VanDerWaalsContact C-N 3.32Å; E941-L943 PolarHBondContact O-N 3.27Å | ||
| 942 | P | 26 | Very low | 26 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -72.2 | 91.3 | 168.9 | 30.2 | -32.3 | 0 | 0 | 0 | 108.6 | ||||
| 943 | L | 27.4 | Very low | 26.2 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -76.9 | 129.1 | 168.9 | -81.8 | 167 | 0 | 0 | 0 | 110 | E941 | E941-L943 VanDerWaalsContact C-N 3.32Å; E941-L943 PolarHBondContact O-N 3.27Å | ||
| 944 | E | 26.6 | Very low | 26.3 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | trans | -81.4 | 159.2 | 175 | -43.4 | 173.8 | 86.4 | 0 | 0 | 108.9 | ||||
| 945 | H | 28.5 | Very low | 26.3 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 68% | 0.676 | 75% | 0.753 | S | S | * | * | cis | -164.3 | 152.4 | 32.8 | -73.6 | -78.6 | 0 | 0 | 0 | 112.2 | ||||
| 946 | S | 27.3 | Very low | 26.3 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 64.4 | 172.9 | 138.1 | 78.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 947 | P | 29.8 | Very low | 26.2 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | cis | -116.7 | 149.7 | -18.4 | 36.4 | -25 | 0 | 0 | 0 | 112.3 | ||||
| 948 | F | 26.2 | Very low | 26.3 | Very low | 212 Ų | 212 | 147.7 Ų | 147.7 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | trans | -134.5 | 137.9 | 153.1 | -109.4 | -85.1 | 0 | 0 | 0 | 110.9 | ||||
| 949 | I | 23.9 | Very low | 26.3 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -90.9 | 135.8 | 178.5 | -58.7 | 165.3 | 0 | 0 | 0 | 106.7 | ||||
| 950 | E | 24.8 | Very low | 26.5 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | 177.8 | 120.9 | 128 | -95.8 | -177.2 | 159.6 | 0 | 0 | 114.1 | |||||
| 951 | I | 26.1 | Very low | 26.5 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 70% | 0.703 | 72% | 0.719 | S | S | * | * | trans | 62.2 | 113.1 | 133.6 | -57.9 | 165.8 | 0 | 0 | 0 | 119.9 | ||||
| 952 | D | 23.1 | Very low | 26.5 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | trans | -62.1 | 143.2 | 156.8 | -85.6 | -51.2 | 0 | 0 | 0 | 112.9 | ||||
| 953 | P | 31.4 | Very low | 26.4 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | trans | -114.2 | 98.7 | 150.6 | 33.9 | -26.6 | 0 | 0 | 0 | 112.5 | K955 | P953-K955 PolarHBondContact O-N 3.47Š| ||
| 954 | V | 26 | Very low | 26.5 | Very low | 115 Ų | 115 | 141 Ų | 141 | 70% | 0.697 | 71% | 0.708 | S | S | * | * | trans | -75.3 | 114 | 171.9 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 955 | K | 24.6 | Very low | 26.3 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | trans | 40.6 | 114.8 | 155.7 | -59.9 | 171.2 | -179 | 169.6 | 0 | 118.4 | P953 | P953-K955 PolarHBondContact O-N 3.47Š| ||
| 956 | R | 25.7 | Very low | 26.3 | Very low | 246 Ų | 246 | 139.7 Ų | 139.7 | 93% | 0.928 | 71% | 0.711 | S | S | * | * | -173.9 | 119.4 | 126.3 | -101.1 | 149.3 | -168.7 | -163.9 | 4.9 | 115 | |||||
| 957 | R | 23.2 | Very low | 26.2 | Very low | 239 Ų | 239 | 142.2 Ų | 142.2 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | 37.6 | 149.3 | 139.9 | -82.7 | -173.9 | 169.7 | 173.1 | -4.4 | 124.4 | ||||
| 958 | S | 25.7 | Very low | 26 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | 83.7 | 98 | 146.9 | 35.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 959 | D | 26 | Very low | 25.9 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | 78.5 | 162.8 | 123.9 | -45.2 | -34.8 | 0 | 0 | 0 | 121.2 | |||||
| 960 | Q | 29.3 | Very low | 26.2 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 36% | 0.364 | 70% | 0.704 | S | S | . | * | cis | -149.4 | -66.3 | 16.6 | -162.6 | 112.5 | -100.1 | 0 | 0 | 120.5 | L882 I884 D885 | L882-Q960 VanDerWaalsContact CB-O 3.3Å; L882-Q960 WeakPolarHBondContact CB-O 3.46Å; I884-Q960 HydrophobicContact CB-CB 4.38Å; I884-Q960 HydrophobicContact CD1-CG 3.9Å; I884-Q960 HydrophobicContact CG1-CB 3.85Å; I884-Q960 HydrophobicContact CG1-CG 3.78Å; I884-Q960 WeakPolarHBondContact O-CB 3.4Å; D885-Q960 PolarHBondContact OD1-NE2 3.02Å; D885-Q960 PolarHBondContact OD2-NE2 2.8Å | ||
| 961 | L | 27.6 | Very low | 26.4 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 39% | 0.393 | 70% | 0.701 | S | S | . | * | trans | -162.6 | 140.7 | 166.6 | -46.6 | 95.2 | 0 | 0 | 0 | 116.9 | L882 I883 I884 | L882-L961 HydrophobicContact CD2-CB 3.82Å; L882-L961 HydrophobicContact CD2-CD2 3.83Å; L882-L961 HydrophobicContact CD2-CG 3.72Å; I883-L961 VanDerWaalsContact C-N 3.34Å; I883-L961 CarbonylContact C-O 2.92Å; I883-L961 VanDerWaalsContact N-N 3.16Å; I883-L961 CarbonylContact O-C 3.59Å; I884-L961 VanDerWaalsContact CA-O 3.31Å; I884-L961 WeakPolarHBondContact CA-O 3.45Å; I884-L961 WeakPolarHBondContact CB-O 3.46Å; I884-L961 HydrophobicContact CD1-CB 4.49Å; I884-L961 HydrophobicContact CD1-CD1 3.63Å; I884-L961 HydrophobicContact CG1-CB 3.7Å; I884-L961 HydrophobicContact CG1-CD1 3.68Å; I884-L961 HydrophobicContact CG1-CG 4.29Å; I884-L961 WeakPolarHBondContact CG1-O 3.13Å; I884-L961 WeakPolarHBondContact CG2-O 3.47Å; I884-L961 PolarHBondContact N-O 2.77Å | ||
| 962 | D | 26.5 | Very low | 26.4 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 58% | 0.583 | 71% | 0.71 | S | S | * | * | trans | 99.8 | 165.2 | 139.2 | -66.3 | 7.3 | 0 | 0 | 0 | 131.2 | ||||
| 963 | L | 24.7 | Very low | 26.8 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 46% | 0.461 | 71% | 0.71 | S | S | . | * | trans | -118.5 | 168.3 | -148.7 | -74.1 | 64.3 | 0 | 0 | 0 | 117.5 | K880 E965 | K880-L963 HydrophobicContact CD-CD1 4.28Å; K880-L963 HydrophobicContact CD-CD2 3.65Å; K880-L963 HydrophobicContact CD-CG 4.3Å; K880-L963 VanDerWaalsContact NZ-CD2 3.33Å; L963-E965 HydrophobicContact CD2-CG 4.39Å | ||
| 964 | I | 29.1 | Very low | 26.4 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 86% | 0.862 | 71% | 0.71 | S | S | * | * | trans | -135.6 | 153.1 | 138.1 | -65.3 | -173.3 | 0 | 0 | 0 | 110.9 | ||||
| 965 | E | 22.6 | Very low | 26.3 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 65% | 0.645 | 71% | 0.71 | S | S | * | * | trans | -124.8 | 136.3 | 176.9 | -63.1 | -175.4 | 143 | 0 | 0 | 113.8 | K880 L963 | K880-E965 IonicContact NZ-OE1 2.57Å; K880-E965 PolarHBondContact NZ-OE1 3.23Å; L963-E965 HydrophobicContact CD2-CG 4.39Å | ||
| 966 | V | 28.7 | Very low | 26.2 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 78% | 0.782 | 71% | 0.712 | S | S | * | * | trans | -152.1 | 108 | 162.7 | -174.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 967 | I | 24.5 | Very low | 26.1 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | 76 | 113 | 71.6 | -61.8 | 171.9 | 0 | 0 | 0 | 114.1 | |||||
| 968 | G | 25.6 | Very low | 26.3 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | trans | 83.7 | 155.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 969 | S | 25.6 | Very low | 26.2 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | cis | -171.6 | 169.6 | -20.7 | 38.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 970 | H | 28.4 | Very low | 26.2 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | 68.7 | 153.4 | 176.8 | -57.5 | -78 | 0 | 0 | 0 | 116.1 | ||||
| 971 | D | 29.9 | Very low | 26.1 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | cis | -154.8 | 163.1 | -22.2 | -97.5 | -20.4 | 0 | 0 | 0 | 108 | ||||
| 972 | D | 27.2 | Very low | 26.3 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -74.3 | 142.4 | 168.3 | -82.1 | -42.3 | 0 | 0 | 0 | 111.3 | ||||
| 973 | P | 30.1 | Very low | 26.3 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | -126.6 | 118.3 | 149.6 | 34.4 | -22.6 | 0 | 0 | 0 | 112.8 | ||||
| 974 | V | 22.8 | Very low | 26.4 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | -75.5 | 167.9 | 143.3 | -175 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 975 | I | 24.4 | Very low | 26.2 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | trans | 115.8 | 120.5 | 153.8 | -60.7 | 176.8 | 0 | 0 | 0 | 116.8 | ||||
| 976 | M | 23.3 | Very low | 26.4 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | trans | 73.7 | 143.1 | 152.5 | -74.3 | 174.1 | -24.5 | 0 | 0 | 123.9 | ||||
| 977 | E | 23.5 | Very low | 26.2 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | trans | -72.4 | 164.6 | 171.1 | -57.6 | 147.9 | 127.6 | 0 | 0 | 111.5 | ||||
| 978 | T | 26.7 | Very low | 26.4 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -151.2 | 137.7 | 151.9 | -7.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 979 | E | 23.1 | Very low | 26.3 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 52% | 0.523 | 71% | 0.705 | S | S | . | * | trans | -76.6 | 150.6 | -175.5 | -54.7 | 163.8 | 138.9 | 0 | 0 | 111.2 | Q607 | Q607-E979 PolarHBondContact NE2-OE1 2.85Å; Q607-E979 VanDerWaalsContact NE2-OE1 3.13Å | ||
| 980 | Y | 26.3 | Very low | 26.4 | Very low | 241 Ų | 241 | 132.3 Ų | 132.3 | 95% | 0.945 | 71% | 0.711 | S | S | * | * | trans | -156.1 | 150.9 | 142.6 | -97.7 | -62.7 | 0 | 0 | 0 | 111.3 | ||||
| 981 | L | 27 | Very low | 26.3 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 49% | 0.492 | 72% | 0.716 | S | S | . | * | trans | -94.6 | 161.7 | -165.2 | -79.7 | 173.2 | 0 | 0 | 0 | 114.9 | Y610 F613 | Y610-L981 HydrophobicContact CD1-CD1 4.44Å; Y610-L981 HydrophobicContact CE1-CD1 3.74Å; Y610-L981 HydrophobicContact CE1-CD2 3.96Å; Y610-L981 HydrophobicContact CE1-CG 4.17Å; F613-L981 HydrophobicContact CD2-CD1 4.35Å; F613-L981 HydrophobicContact CD2-CD2 4.38Å; F613-L981 HydrophobicContact CE2-CD1 4.18Å; F613-L981 HydrophobicContact CE2-CD2 3.83Å; F613-L981 HydrophobicContact CE2-CG 4.5Å; F613-L981 HydrophobicContact CZ-CD2 4.27Å | ||
| 982 | P | 32.1 | Very low | 26.6 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 59% | 0.591 | 71% | 0.713 | S | S | * | * | trans | -91.6 | 175.9 | 173.5 | 39.9 | -36.1 | 0 | 0 | 0 | 112.6 | F613 | F613-P982 HydrophobicContact CZ-CG 4.18Š| ||
| 983 | D | 27.1 | Very low | 26.6 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | trans | -148.7 | 166.3 | 163.5 | -126.5 | -33.2 | 0 | 0 | 0 | 112.6 | ||||
| 984 | E | 26.3 | Very low | 26.3 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 61% | 0.607 | 71% | 0.714 | S | S | * | * | trans | -108.4 | 125.8 | -147.1 | -64.2 | -162.9 | 131.8 | 0 | 0 | 120.4 | F548 | F548-E984 WeakPolarHBondContact CZ-OE2 3.35Š| ||
| 985 | A | 25.7 | Very low | 26.5 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 59% | 0.587 | 71% | 0.712 | S | S | * | * | 68.1 | 169.7 | 119.4 | 0 | 0 | 0 | 0 | 0 | 126 | |||||
| 986 | F | 25.6 | Very low | 26.6 | Very low | 80 Ų | 80 | 128.2 Ų | 128.2 | 35% | 0.351 | 72% | 0.718 | S | S | . | * | trans | 84.3 | 105.5 | 164.1 | -72.5 | -91.2 | 0 | 0 | 0 | 123.9 | I547 F548 | I547-F986 VanDerWaalsContact CA-CB 3.48Å; I547-F986 HydrophobicContact CB-CB 4.29Å; I547-F986 HydrophobicContact CG1-CB 3.88Å; I547-F986 HydrophobicContact CG1-CD2 4.46Å; I547-F986 HydrophobicContact CG1-CG 4.47Å; F548-F986 HydrophobicContact CB-CE2 4.5Å; F548-F986 HydrophobicContact CB-CZ 4.39Å; F548-F986 HydrophobicContact CD1-CD2 4.32Å; F548-F986 HydrophobicContact CD1-CE1 4.2Å; F548-F986 AromaticContact CD1-CE2 3.29Å; F548-F986 HydrophobicContact CD1-CE2 3.29Å; F548-F986 AromaticContact CD1-CZ 3.22Å; F548-F986 HydrophobicContact CD1-CZ 3.22Å; F548-F986 HydrophobicContact CD2-CD2 4.4Å; F548-F986 HydrophobicContact CD2-CE2 4.01Å; F548-F986 HydrophobicContact CE1-CD2 4.47Å; F548-F986 AromaticContact CE1-CE2 3.32Å; F548-F986 HydrophobicContact CE1-CE2 3.32Å; F548-F986 AromaticContact CE1-CZ 3.55Å; F548-F986 HydrophobicContact CE1-CZ 3.55Å; F548-F986 AromaticContact CE2-CE2 3.99Å; F548-F986 HydrophobicContact CE2-CE2 3.99Å; F548-F986 HydrophobicContact CG-CD2 4.29Å; F548-F986 AromaticContact CG-CE2 3.66Å; F548-F986 HydrophobicContact CG-CE2 3.66Å; F548-F986 AromaticContact CG-CZ 3.84Å; F548-F986 HydrophobicContact CG-CZ 3.84Å; F548-F986 AromaticContact CZ-CE2 3.67Å; F548-F986 HydrophobicContact CZ-CE2 3.67Å; F548-F986 HydrophobicContact CZ-CZ 4.36Å; F548-F986 VanDerWaalsContact N-CD1 3.3Å | ||
| 987 | V | 26.3 | Very low | 26.7 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 61% | 0.606 | 71% | 0.713 | S | S | * | * | 51.3 | 133.1 | 104.5 | 170.5 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 988 | T | 26.8 | Very low | 26.9 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | cis | -156.4 | -141.1 | -20 | 35.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 989 | T | 25.3 | Very low | 27 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | cis | -168.3 | 158.2 | 8.1 | -18.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 990 | T | 26.4 | Very low | 27.5 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 83% | 0.828 | 72% | 0.718 | S | S | * | * | trans | 63.8 | 124.9 | 154.9 | 41.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 991 | N | 26.4 | Very low | 27.6 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | trans | -51.8 | 178.7 | 157.9 | -80.5 | -20.6 | 0 | 0 | 0 | 117.2 | ||||
| 992 | P | 37.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | cis | -141.1 | 176.8 | -20.3 | 32.1 | -10.3 | 0 | 0 | 0 | 116.9 | ||||
| 993 | T | 26.3 | Very low | 27.3 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | 50.6 | 117.3 | 148 | 51.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 994 | T | 24.9 | Very low | 27.3 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 94% | 0.939 | 72% | 0.721 | S | S | * | * | -178.4 | 174.1 | 106.1 | 26.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 995 | A | 26.1 | Very low | 27.4 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -109.7 | 167.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 996 | V | 25.6 | Very low | 27.4 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | -167 | 154.8 | 128.9 | 137.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 997 | N | 26.6 | Very low | 27.6 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -71.8 | 164.5 | -171.6 | -41.4 | -48.5 | 0 | 0 | 0 | 115.2 | ||||
| 998 | I | 27.8 | Very low | 27.8 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | -176 | 156.5 | 110.9 | -90.3 | 154.6 | 0 | 0 | 0 | 110.6 | |||||
| 999 | T | 27.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -135.4 | -165.6 | -171.2 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1000 | P | 35.3 | Very low | 28 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | -121.5 | -162.2 | -72.1 | 39.3 | -22.7 | 0 | 0 | 0 | 111.6 | |||||
| 1001 | E | 26.9 | Very low | 28.1 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | 164.5 | 154.1 | 130.3 | -93.8 | -176.1 | -175.1 | 0 | 0 | 116.8 | ||||
| 1002 | I | 27.6 | Very low | 28.1 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 64.1 | 143.4 | 147.8 | -72 | 162.2 | 0 | 0 | 0 | 120.5 | ||||
| 1003 | F | 25.1 | Very low | 27.8 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 79% | 0.789 | 74% | 0.737 | S | S | * | * | cis | -173.3 | 163.9 | -34.4 | -135.7 | -71.3 | 0 | 0 | 0 | 110.4 | ||||
| 1004 | Q | 28.4 | Very low | 27.8 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | 94.6 | 137.8 | 141 | -109 | -179.3 | 35.2 | 0 | 0 | 124.3 | ||||
| 1005 | N | 28.2 | Very low | 28 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | trans | 71.1 | 145.4 | 154.1 | -60.1 | -34.3 | 0 | 0 | 0 | 119.2 | ||||
| 1006 | C | 26.1 | Very low | 27.9 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | cis | 168.8 | 159.9 | -17.3 | -103.2 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 1007 | N | 28.5 | Very low | 27.7 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | cis | -163.7 | 151.8 | 20.8 | -132 | -36 | 0 | 0 | 0 | 110.9 | ||||
| 1008 | Q | 30.6 | Very low | 27.7 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 77% | 0.771 | 72% | 0.724 | S | S | * | * | trans | 63.8 | 147.9 | 149.7 | -75 | 161.1 | 54.4 | 0 | 0 | 120.8 | ||||
| 1009 | S | 28.9 | Very low | 27.4 | Very low | 86 Ų | 86 | 137 Ų | 137 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | cis | -153.4 | 125 | -1.7 | 51.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1010 | Q | 27.7 | Very low | 27.4 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | 64.1 | 157.7 | 138.9 | -52.5 | 171.6 | 1.6 | 0 | 0 | 118.7 | ||||
| 1011 | F | 28.4 | Very low | 27.1 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | cis | -144.2 | 129.5 | 16.3 | -126.9 | -87.2 | 0 | 0 | 0 | 110.8 | ||||
| 1012 | K | 27.8 | Very low | 27.2 | Very low | 154 Ų | 154 | 138 Ų | 138 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | trans | 38.8 | 151.1 | 142.8 | -60.1 | -173 | -169.8 | 179.5 | 0 | 121 | ||||
| 1013 | Q | 29.2 | Very low | 27.2 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | cis | -173.6 | 159.9 | 0.7 | -110 | 169.3 | -32.1 | 0 | 0 | 106.6 | ||||
| 1014 | K | 28 | Very low | 27.2 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 60% | 0.6 | 70% | 0.697 | S | S | * | * | cis | -159.1 | 153.2 | -16.3 | -138.7 | -175.3 | -164.5 | -68.7 | 0 | 109.1 | ||||
| 1015 | E | 27.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 65% | 0.645 | 70% | 0.7 | S | S | * | * | trans | 8.9 | 129.7 | 148.8 | -68.6 | 138.5 | -129.7 | 0 | 0 | 119.6 | ||||
| 1016 | S | 25 | Very low | 27.6 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | cis | 94.4 | 148.9 | 41 | 77.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1017 | C | 21.5 | Very low | 27.5 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 88% | 0.878 | 70% | 0.702 | S | S | * | * | trans | -75.6 | 151 | -165.5 | -52 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1018 | S | 25.8 | Very low | 27.5 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | -148.8 | 151.3 | 143.1 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1019 | I | 23.1 | Very low | 27.3 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 80% | 0.795 | 71% | 0.707 | S | S | * | * | trans | -98.9 | 136.4 | -177.6 | -66 | 159.5 | 0 | 0 | 0 | 108 | ||||
| 1020 | H | 27.2 | Very low | 27.1 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | -176.1 | 149.7 | 134.5 | -102.6 | -68.5 | 0 | 0 | 0 | 114.8 | ||||
| 1021 | H | 27.6 | Very low | 27.1 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | trans | 58 | 127 | 149.4 | -78.6 | -66.3 | 0 | 0 | 0 | 124.4 | ||||
| 1022 | H | 28.9 | Very low | 27.2 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 61% | 0.611 | 72% | 0.716 | S | S | * | * | trans | 78.2 | 116.2 | 133.7 | -76.5 | -52.6 | 0 | 0 | 0 | 122.9 | ||||
| 1023 | H | 28.7 | Very low | 27.2 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 57% | 0.565 | 72% | 0.72 | S | S | * | * | 66.8 | 127.5 | 127.8 | -74.6 | -40.5 | 0 | 0 | 0 | 122 | |||||
| 1024 | Q | 25.5 | Very low | 27.1 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 48.1 | 110 | 126.7 | -56.9 | 165.7 | -25.2 | 0 | 0 | 117.9 | |||||
| 1025 | H | 32.9 | Very low | 27 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | 157 | 143.6 | 124.9 | -95.7 | -103.8 | 0 | 0 | 0 | 108.2 | |||||
| 1026 | H | 31.2 | Very low | 26.8 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | cis | -159.1 | 166.1 | -21 | -149.7 | -99.7 | 0 | 0 | 0 | 108.6 | ||||
| 1027 | Q | 24.3 | Very low | 26.9 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -54.6 | 134.1 | 176.5 | -54.9 | 155.5 | -9.3 | 0 | 0 | 113.6 | ||||
| 1028 | K | 27.7 | Very low | 26.9 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | trans | -178.8 | 152.8 | 145.4 | -100.9 | 155.2 | -176.9 | 179.7 | 0 | 111.1 | ||||
| 1029 | R | 26.6 | Very low | 26.7 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | cis | -161.4 | 131.8 | -37.5 | -108.6 | -174.9 | -169.1 | 162.6 | 3.4 | 103.8 | ||||
| 1030 | Q | 25 | Very low | 26.7 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | 68.9 | 143.2 | 74.2 | -159.2 | -173.8 | 22.4 | 0 | 0 | 113.2 | |||||
| 1031 | I | 26.9 | Very low | 26.6 | Very low | 145 Ų | 145 | 147 Ų | 147 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | 71.4 | 134.1 | 179.8 | -31.4 | 167.7 | 0 | 0 | 0 | 110.5 | ||||
| 1032 | I | 31.5 | Very low | 26.5 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | cis | -135.9 | 155.2 | 24.8 | -71.7 | 169.3 | 0 | 0 | 0 | 107.4 | ||||
| 1033 | K | 28.3 | Very low | 26.4 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | cis | -157.8 | 137.6 | -23.7 | -98.5 | 177.6 | -174.4 | 177.2 | 0 | 103.7 | ||||
| 1034 | Q | 25.2 | Very low | 26.3 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | 42.6 | 98.7 | 84.3 | -78.6 | -171.1 | -18.2 | 0 | 0 | 117.8 | |||||
| 1035 | N | 26.9 | Very low | 26.4 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 81% | 0.807 | 66% | 0.664 | S | S | * | * | trans | 141.2 | 159.5 | 133.6 | -73.6 | -23 | 0 | 0 | 0 | 111.6 | ||||
| 1036 | K | 24 | Very low | 26.2 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | cis | 164.4 | 154.9 | -25.8 | -169.7 | 177.3 | 173.6 | -170.3 | 0 | 104.5 | ||||
| 1037 | F | 25.5 | Very low | 26 | Very low | 152 Ų | 152 | 137 Ų | 137 | 67% | 0.667 | 66% | 0.662 | S | S | * | * | trans | 76.6 | 105.8 | 175.5 | -62.1 | -75.2 | 0 | 0 | 0 | 118.8 | ||||
| 1038 | E | 22.2 | Very low | 25.9 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | 48.6 | 136.1 | 105.3 | -65.9 | 177.5 | 157.9 | 0 | 0 | 123.4 | |||||
| 1039 | C | 22.1 | Very low | 25.8 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | trans | 71.2 | 97.3 | 137.3 | -66.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1040 | S | 22.8 | Very low | 25.7 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | 78.4 | 136.9 | 112.3 | 66.5 | 0 | 0 | 0 | 0 | 125 | |||||
| 1041 | T | 25.2 | Very low | 25.8 | Very low | 87 Ų | 87 | 125.1 Ų | 125.1 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | trans | 91.4 | 131.1 | 133.5 | 30 | 0 | 0 | 0 | 0 | 124.9 | F827 | F827-T1041 HydrophobicContact CZ-CG2 4.44Š| ||
| 1042 | T | 25.5 | Very low | 25.8 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 47% | 0.466 | 65% | 0.646 | S | S | . | * | trans | 73.3 | 152.9 | 145.9 | 57.5 | 0 | 0 | 0 | 0 | 119.2 | P841 | P841-T1042 WeakPolarHBondContact CA-O 3.41Š| ||
| 1043 | N | 26.6 | Very low | 25.6 | Very low | 61 Ų | 61 | 122.4 Ų | 122.4 | 33% | 0.326 | 65% | 0.646 | S | S | . | * | cis | -152.1 | -94.4 | 2.3 | -133.2 | 40.7 | 0 | 0 | 0 | 119.7 | F840 P841 N842 I843 | F840-N1043 HydrophobicContact CD1-CB 4.07Å; F840-N1043 HydrophobicContact CE1-CB 4.42Å; P841-N1043 HydrophobicContact CB-CB 3.73Å; N842-N1043 CarbonylContact C-O 3.39Å; N842-N1043 WeakPolarHBondContact CA-O 3.5Å; I843-N1043 WeakPolarHBondContact CB-O 3.15Å; I843-N1043 VanDerWaalsContact CD1-O 3.31Å; I843-N1043 WeakPolarHBondContact CD1-O 3.35Å; I843-N1043 WeakPolarHBondContact CG1-O 3.47Å; I843-N1043 PolarHBondContact N-O 3.22Å | ||
| 1044 | D | 27.6 | Very low | 25.8 | Very low | 59 Ų | 59 | 119.6 Ų | 119.6 | 32% | 0.316 | 65% | 0.648 | S | S | . | * | trans | -95.9 | -147.5 | -143.7 | -58.9 | -54.9 | 0 | 0 | 0 | 123.5 | N842 I843 | N842-D1044 CarbonylContact C-O 3.54Å; N842-D1044 WeakPolarHBondContact CA-O 3.4Å; N842-D1044 WeakPolarHBondContact CB-O 3.46Å; N842-D1044 WeakPolarHBondContact OD1-CA 3.48Å; N842-D1044 PolarHBondContact OD1-N 2.64Å; N842-D1044 PolarHBondContact OD1-O 3.25Å; I843-D1044 CarbonylContact C-O 3.51Å; I843-D1044 WeakPolarHBondContact CA-O 3.31Å; I843-D1044 WeakPolarHBondContact CB-O 3.37Å; I843-D1044 PolarHBondContact N-O 2.72Å | ||
| 1045 | H | 27.3 | Very low | 26 | Very low | 101 Ų | 101 | 115.5 Ų | 115.5 | 47% | 0.468 | 64% | 0.643 | S | S | . | * | trans | -75.5 | 168.8 | -146.7 | -55.5 | -57.9 | 0 | 0 | 0 | 119.8 | N842 I843 | N842-H1045 PolarHBondContact ND2-O 3.03Å; I843-H1045 CarbonylContact O-C 3.57Å | ||
| 1046 | W | 28 | Very low | 26.2 | Very low | 200 Ų | 200 | 115 Ų | 115 | 76% | 0.758 | 64% | 0.64 | S | S | * | * | -165.3 | 178.2 | 55.1 | -67.1 | 79.7 | 0 | 0 | 0 | 112.6 | P844 | P844-W1046 VanDerWaalsContact CD-O 3.23Å; P844-W1046 WeakPolarHBondContact CD-O 3.28Å | |||
| 1047 | Q | 25.9 | Very low | 26.4 | Very low | 132 Ų | 132 | 114.2 Ų | 114.2 | 62% | 0.617 | 64% | 0.644 | S | S | * | * | -170.8 | 141.4 | -54.5 | -147.8 | 177 | 17.1 | 0 | 0 | 111.4 | |||||
| 1048 | S | 24 | Very low | 26.6 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | trans | 55.9 | 98.9 | 147.9 | 57.3 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1049 | T | 24.2 | Very low | 26.8 | Very low | 100 Ų | 100 | 112.9 Ų | 112.9 | 61% | 0.613 | 66% | 0.655 | S | S | * | * | 51.6 | 141.4 | 112.6 | 60.7 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 1050 | S | 25 | Very low | 26.9 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | 109.8 | 165.9 | 128.6 | 76.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1051 | I | 28.1 | Very low | 27.1 | Very low | 154 Ų | 154 | 119 Ų | 119 | 79% | 0.79 | 67% | 0.668 | S | S | * | * | trans | 81.1 | 137.6 | 165.6 | -63.2 | 165.9 | 0 | 0 | 0 | 117.6 | ||||
| 1052 | T | 26.3 | Very low | 27.1 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | -165.1 | 162.3 | -50.5 | 15.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1053 | T | 27.4 | Very low | 27 | Very low | 123 Ų | 123 | 122 Ų | 122 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | 73 | 141.1 | 146.4 | 43.4 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1054 | S | 31.3 | Very low | 26.9 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | 74.5 | 148.3 | 153 | 73.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1055 | A | 30.5 | Very low | 26.9 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | cis | -161.6 | 155.3 | -28.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1056 | N | 30.3 | Very low | 26.8 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | 71.5 | 138 | 157.6 | -70.1 | 21.4 | 0 | 0 | 0 | 123 | ||||
| 1057 | D | 29.1 | Very low | 26.6 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 82.7 | 116.3 | 145.6 | -57.6 | -17.5 | 0 | 0 | 0 | 124 | ||||
| 1058 | I | 28.4 | Very low | 26.6 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | 71.4 | 75.4 | 157.5 | -50.2 | 172.7 | 0 | 0 | 0 | 117.1 | ||||
| 1059 | C | 27.2 | Very low | 26.7 | Very low | 127 Ų | 127 | 127 Ų | 127 | 86% | 0.858 | 76% | 0.757 | S | S | * | * | trans | 42.6 | 91.2 | 137.6 | -62.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1060 | K | 24.8 | Very low | 26.9 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -72.7 | 174.1 | 151.4 | -53.4 | 170.3 | -176.6 | 167.8 | 0 | 108.5 | ||||
| 1061 | V | 26.8 | Very low | 26.9 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | -141.5 | 124.9 | 64.4 | 177.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 1062 | V | 24.2 | Very low | 26.8 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -114.5 | 165 | 160.4 | 177.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1063 | S | 24.5 | Very low | 26.8 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 103.9 | 131.8 | 150.5 | 82.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1064 | C | 24.4 | Very low | 26.8 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | 54.3 | 114 | 128.6 | -60.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1065 | C | 26.6 | Very low | 26.5 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | -158.1 | 136.2 | 98 | -83.3 | 0 | 0 | 0 | 0 | 107 | |||||
| 1066 | V | 25.2 | Very low | 26.6 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | cis | 71.4 | 96.8 | 27 | -168.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1067 | D | 24.7 | Very low | 26.4 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 61.7 | 161.1 | 153.6 | -57.2 | -19 | 0 | 0 | 0 | 117.6 | ||||
| 1068 | I | 25.3 | Very low | 26.4 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | cis | -139 | 145.9 | 33.8 | -68 | 158.9 | 0 | 0 | 0 | 112.3 | V1070 | I1068-V1070 HydrophobicContact CG2-CG2 4.27Š| ||
| 1069 | P | 26.7 | Very low | 26.2 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | trans | -96.5 | 130.6 | 173.6 | 35.4 | -31.6 | 0 | 0 | 0 | 114.2 | ||||
| 1070 | V | 28.1 | Very low | 26.2 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -138.9 | 162.2 | 167.3 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | I1068 | I1068-V1070 HydrophobicContact CG2-CG2 4.27Š| ||
| 1071 | S | 25.8 | Very low | 26.2 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | trans | -129.9 | 168.3 | -157.7 | 75.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1072 | R | 26.3 | Very low | 26.2 | Very low | 217 Ų | 217 | 146 Ų | 146 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | trans | 78.6 | 119.9 | 157.2 | -65.8 | 165.9 | 179.1 | -163.4 | 0.8 | 120.4 | ||||
| 1073 | K | 24.7 | Very low | 26.2 | Very low | 202 Ų | 202 | 148.6 Ų | 148.6 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | 59.8 | 145.5 | 136.4 | -57.5 | 179.1 | -178.8 | -179 | 0 | 117.6 | ||||
| 1074 | S | 28.4 | Very low | 26.1 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | cis | -146.3 | -171.5 | 27.6 | 63.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1075 | K | 25.3 | Very low | 26.1 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -123 | 177.8 | 179.5 | -113.8 | -179.1 | -176.7 | 177.4 | 0 | 106.8 | ||||
| 1076 | P | 32.3 | Very low | 26 | Very low | 101 Ų | 101 | 153.5 Ų | 153.5 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | cis | -140.9 | 176.3 | -14.7 | 36.1 | -15.7 | 0 | 0 | 0 | 115.7 | ||||
| 1077 | S | 25.4 | Very low | 25.9 | Very low | 111 Ų | 111 | 155 Ų | 155 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | 46.1 | 130.7 | 139.8 | 66 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1078 | S | 30.2 | Very low | 25.8 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | -151.1 | 173.6 | 114.8 | 73.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 1079 | K | 24.3 | Very low | 25.7 | Very low | 197 Ų | 197 | 152.3 Ų | 152.3 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -109.2 | 148.6 | -173.4 | -54.2 | 165.1 | -176.4 | 167.2 | 0 | 110.7 | ||||
| 1080 | L | 27.1 | Very low | 25.6 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | -164.8 | 170.7 | 124.7 | -109.4 | 158.1 | 0 | 0 | 0 | 112.7 | |||||
| 1081 | Q | 24.8 | Very low | 25.6 | Very low | 162 Ų | 162 | 155.8 Ų | 155.8 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | trans | -110.5 | 154.7 | -168 | -57.3 | 173.1 | -17.4 | 0 | 0 | 111.9 | ||||
| 1082 | R | 26.5 | Very low | 25.4 | Very low | 255 Ų | 255 | 155.8 Ų | 155.8 | 96% | 0.962 | 81% | 0.812 | S | S | * | * | -160.5 | 178.5 | 124.1 | -107.2 | 158.9 | -167.5 | -168.4 | 2.8 | 111.7 | |||||
| 1083 | K | 22.7 | Very low | 25.3 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | -116.2 | 152.9 | -157.2 | -62.5 | 177.4 | 177.9 | 175.7 | 0 | 113.6 | ||||
| 1084 | S | 23.8 | Very low | 25.3 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 73.8 | 150.1 | 134.1 | 59.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1085 | M | 24.1 | Very low | 25.3 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | 90.3 | 131.2 | 163.9 | -70 | 179.6 | 63.3 | 0 | 0 | 117.9 | ||||
| 1086 | D | 23.4 | Very low | 25.3 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -86.5 | 147.8 | -174 | -46 | -94.7 | 0 | 0 | 0 | 111 | ||||
| 1087 | C | 24.4 | Very low | 25 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 91% | 0.905 | 81% | 0.808 | S | S | * | * | trans | -147.2 | 95.1 | 161.4 | -98.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1088 | S | 22.6 | Very low | 25.1 | Very low | 86 Ų | 86 | 153.2 Ų | 153.2 | 60% | 0.601 | 81% | 0.808 | S | S | * | * | trans | -67.9 | 144.6 | 167.2 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1089 | K | 23.2 | Very low | 24.9 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 67% | 0.665 | 79% | 0.793 | S | S | * | * | trans | 68.6 | 111.9 | 171.1 | -50.2 | 170.6 | -177.3 | 174.6 | 0 | 116 | ||||
| 1090 | L | 25 | Very low | 25 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | -172.4 | 160.5 | 122.4 | -103.8 | 162.5 | 0 | 0 | 0 | 111.3 | |||||
| 1091 | L | 26.2 | Very low | 25 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 60.1 | 97.5 | 170.6 | -63.2 | 169.3 | 0 | 0 | 0 | 117.2 | ||||
| 1092 | A | 23.7 | Very low | 25 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -89.2 | -174.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1093 | S | 24.2 | Very low | 25 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 92.4 | 145.7 | 163.2 | 80.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1094 | N | 24.4 | Very low | 25.3 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 71.9 | 83.8 | 157.2 | -56.9 | -16.2 | 0 | 0 | 0 | 120.2 | ||||
| 1095 | C | 27.2 | Very low | 25.3 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | -179.3 | 110 | 106.3 | -79.9 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1096 | R | 25.3 | Very low | 25.5 | Very low | 231 Ų | 231 | 141.8 Ų | 141.8 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | 48.3 | 110.3 | 73.9 | -75.3 | -169.2 | 175 | 177.8 | -0.8 | 113.3 | |||||
| 1097 | D | 26.7 | Very low | 25.6 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | -154.3 | 138.6 | 111 | -97.8 | -24.7 | 0 | 0 | 0 | 112.9 | |||||
| 1098 | L | 27.2 | Very low | 25.6 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | 34.5 | 131.4 | 143.4 | -53.9 | 165.2 | 0 | 0 | 0 | 120.6 | ||||
| 1099 | S | 25.2 | Very low | 25.7 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 56% | 0.559 | 74% | 0.735 | S | S | * | * | cis | 135 | 119.1 | -11.8 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1100 | L | 27.5 | Very low | 25.7 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -176.2 | 131.2 | 130.9 | -114.8 | 68.1 | 0 | 0 | 0 | 106 | ||||
| 1101 | I | 26 | Very low | 25.6 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | cis | 77 | 118.1 | 34.1 | -55.9 | 169.2 | 0 | 0 | 0 | 109.6 | ||||
| 1102 | D | 25.9 | Very low | 25.5 | Very low | 131 Ų | 131 | 134 Ų | 134 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | cis | -158.4 | -172.7 | 9.7 | -148.1 | -16.2 | 0 | 0 | 0 | 114.6 | ||||
| 1103 | W | 26.3 | Very low | 25.6 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | 110.4 | 73.5 | 141.4 | -106.6 | 66 | 0 | 0 | 0 | 122.4 | ||||
| 1104 | Q | 29.2 | Very low | 25.8 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 58% | 0.579 | 73% | 0.731 | S | S | * | * | 60.5 | 113.2 | 122.5 | -62.7 | -168.9 | 27.2 | 0 | 0 | 123.1 | |||||
| 1105 | N | 24.2 | Very low | 26.2 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | 45.4 | 112.8 | 121.6 | -57.3 | -29.4 | 0 | 0 | 0 | 121.2 | |||||
| 1106 | K | 27 | Very low | 26.3 | Very low | 176 Ų | 176 | 133 Ų | 133 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | 179.4 | 119.8 | 95.5 | -95.5 | -179 | -178 | 176.2 | 0 | 114.8 | |||||
| 1107 | Q | 25.2 | Very low | 26.3 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 46% | 0.463 | 71% | 0.707 | S | S | . | * | 65.6 | 157.5 | 128.7 | -60.3 | 173.6 | 15.1 | 0 | 0 | 123.2 | L1184 | Q1107-L1184 HydrophobicContact CG-CD2 4.09Å; Q1107-L1184 VanDerWaalsContact NE2-CD2 3.3Å | |||
| 1108 | I | 25.6 | Very low | 26.4 | Very low | 135 Ų | 135 | 131 Ų | 131 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | trans | 85.7 | 110.9 | 157.1 | -69.8 | 151 | 0 | 0 | 0 | 119.3 | ||||
| 1109 | L | 25.5 | Very low | 26.4 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | 53.5 | 102 | 145.2 | -64.1 | 175.9 | 0 | 0 | 0 | 122.4 | ||||
| 1110 | S | 22.5 | Very low | 26.4 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | 51.1 | 130.9 | 121.2 | 66.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1111 | A | 23 | Very low | 26.4 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | 91.8 | 160.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1112 | S | 24.7 | Very low | 26.5 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | 60.9 | 108.6 | 174.5 | 43.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1113 | S | 25.7 | Very low | 26.5 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | -47.3 | 150.1 | 141.6 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1114 | F | 28.2 | Very low | 26.5 | Very low | 191 Ų | 191 | 124.2 Ų | 124.2 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -176.8 | 170.7 | 135.6 | -97.1 | -62.1 | 0 | 0 | 0 | 108.8 | ||||
| 1115 | P | 32.1 | Very low | 26.3 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | -146.6 | 148.7 | 93.2 | 37.1 | -20 | 0 | 0 | 0 | 116.2 | |||||
| 1116 | G | 28.5 | Very low | 26.4 | Very low | 54 Ų | 54 | 125 Ų | 125 | 56% | 0.557 | 74% | 0.741 | S | S | * | * | trans | 116.9 | 125.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1117 | L | 26 | Very low | 26.3 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | cis | -164.1 | 173.5 | -8.8 | -129.9 | 169.3 | 0 | 0 | 0 | 110.4 | ||||
| 1118 | Y | 28.2 | Very low | 26.4 | Very low | 187 Ų | 187 | 124.1 Ų | 124.1 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 79.8 | 98.1 | 171.4 | -70.1 | -75.5 | 0 | 0 | 0 | 121 | ||||
| 1119 | T | 27 | Very low | 26.6 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | 36.8 | 132.7 | 125.5 | 58.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1120 | G | 26.6 | Very low | 26.5 | Very low | 62 Ų | 62 | 123.3 Ų | 123.3 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | cis | 159.6 | 159.3 | -5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1121 | T | 27.6 | Very low | 26.6 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | trans | 61.5 | 147.4 | 171.8 | 57.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1122 | S | 27.4 | Very low | 26.9 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -168.4 | 129.3 | -22.9 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1123 | T | 25.1 | Very low | 27 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 33.1 | 126.8 | 148.2 | 56.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1124 | T | 28.3 | Very low | 27 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | -177.2 | 171.7 | 107.7 | 25.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1125 | T | 23.4 | Very low | 26.8 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | -132.8 | 143.7 | -166.2 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1126 | T | 27.6 | Very low | 26.3 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 91% | 0.908 | 75% | 0.754 | S | S | * | * | trans | -155.6 | 169.2 | 158.3 | 17.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1127 | T | 25.2 | Very low | 26.2 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -147.4 | 144.3 | -151.7 | 49.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1128 | V | 26.6 | Very low | 26.4 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 70.6 | 158.2 | 145.4 | 169.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1129 | P | 29.9 | Very low | 26.2 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -124.6 | -178.5 | -3.1 | 25.6 | -1.5 | 0 | 0 | 0 | 117.6 | ||||
| 1130 | L | 24.1 | Very low | 26.3 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -39.4 | 156.6 | 164.1 | -56.7 | 144.5 | 0 | 0 | 0 | 118.4 | ||||
| 1131 | N | 24.2 | Very low | 26.6 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | 177.8 | 168.3 | 95.6 | -123.5 | 39.2 | 0 | 0 | 0 | 116.2 | |||||
| 1132 | N | 29.3 | Very low | 26.5 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | 77.4 | 109.2 | 158.2 | -69.1 | 35.1 | 0 | 0 | 0 | 123.7 | ||||
| 1133 | D | 25.6 | Very low | 26.7 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | 74.4 | 122.8 | 110.7 | -53.3 | -20.1 | 0 | 0 | 0 | 126.9 | |||||
| 1134 | V | 26.7 | Very low | 26.9 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | 89.4 | 115 | 126.9 | 170.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1135 | D | 23 | Very low | 26.9 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 55.7 | 124 | 139.2 | -59 | -11.8 | 0 | 0 | 0 | 128.2 | ||||
| 1136 | C | 22.7 | Very low | 27.1 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | 56.5 | 104.2 | 126.2 | -60.5 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1137 | T | 25.9 | Very low | 27.1 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | 53.9 | 178.6 | 129.7 | 68.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1138 | P | 30.3 | Very low | 27.2 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | cis | -129.3 | -162.1 | -16 | 25.9 | -0.3 | 0 | 0 | 0 | 114.5 | ||||
| 1139 | L | 24.6 | Very low | 27.2 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 88% | 0.88 | 73% | 0.731 | S | S | * | * | trans | 104.8 | 153.1 | 152.4 | -60.8 | 171 | 0 | 0 | 0 | 121.6 | ||||
| 1140 | M | 29.4 | Very low | 27 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | trans | -141 | 166.3 | -177.2 | -65.3 | -175.3 | 72 | 0 | 0 | 112 | ||||
| 1141 | P | 31.2 | Very low | 27.1 | Very low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -122.8 | 140.3 | 142.1 | 34.3 | -22.6 | 0 | 0 | 0 | 111.3 | ||||
| 1142 | S | 26.7 | Very low | 27.3 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | cis | 96.7 | 124 | 29.6 | 75.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1143 | F | 31.4 | Very low | 27.1 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | 176.3 | 130.2 | 130.7 | -91.4 | -54.3 | 0 | 0 | 0 | 114.5 | ||||
| 1144 | H | 29.9 | Very low | 27.1 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | trans | 50.1 | 145.7 | 150.1 | -70.6 | -53 | 0 | 0 | 0 | 122.6 | ||||
| 1145 | S | 27.8 | Very low | 27 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | cis | -165.4 | 143.7 | 0.2 | 40.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1146 | N | 27.1 | Very low | 27.3 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | trans | 70.1 | 145.5 | 145 | -67 | 40 | 0 | 0 | 0 | 119 | ||||
| 1147 | D | 28.7 | Very low | 27.5 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | cis | -158 | 161.6 | 2.5 | -124.5 | -30.2 | 0 | 0 | 0 | 114.5 | ||||
| 1148 | V | 26 | Very low | 27.5 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | trans | 63.4 | 126.9 | 149.5 | 168 | 0 | 0 | 0 | 0 | 119 | ||||
| 1149 | I | 26.3 | Very low | 27.4 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | cis | -155.2 | 160.9 | -0.6 | -120.5 | 174.2 | 0 | 0 | 0 | 113.2 | ||||
| 1150 | N | 26.6 | Very low | 27.6 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | -57.9 | -178.5 | 175 | -52.5 | -54 | 0 | 0 | 0 | 116.1 | ||||
| 1151 | Q | 26.8 | Very low | 27.3 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 67% | 0.673 | 70% | 0.701 | S | S | * | * | cis | -163.5 | -173.5 | 6.1 | -132.6 | 160.5 | -84.7 | 0 | 0 | 107 | ||||
| 1152 | E | 27.9 | Very low | 27.1 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | cis | -148.9 | 141.8 | 3.5 | -110.5 | -151.1 | -156.8 | 0 | 0 | 108.3 | ||||
| 1153 | I | 25.5 | Very low | 27.2 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 56% | 0.564 | 71% | 0.71 | S | S | * | * | 94.7 | 105.7 | 73.5 | -72.7 | -174 | 0 | 0 | 0 | 117.6 | |||||
| 1154 | K | 24.4 | Very low | 27 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | trans | 52.2 | 155.6 | 134.3 | -56.3 | -178.2 | 178.9 | 178.4 | 0 | 125 | ||||
| 1155 | K | 24.7 | Very low | 27.1 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | trans | 86.9 | 148 | 161.4 | -48.6 | -176.3 | -174.5 | 176.5 | 0 | 114.9 | ||||
| 1156 | F | 28.5 | Very low | 27.1 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 83% | 0.833 | 71% | 0.711 | S | S | * | * | cis | -127.5 | -177.4 | 14.8 | -108.5 | -84.7 | 0 | 0 | 0 | 113.9 | ||||
| 1157 | S | 27.6 | Very low | 27.4 | Very low | 79 Ų | 79 | 136 Ų | 136 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | trans | -125.7 | -177.4 | -171.2 | 46 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1158 | D | 26.7 | Very low | 27.4 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 75 | 157.2 | 159.7 | -40.4 | -49.8 | 0 | 0 | 0 | 116.3 | ||||
| 1159 | E | 26.9 | Very low | 27.7 | Very low | 153 Ų | 153 | 139 Ų | 139 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | cis | -162.9 | 139.8 | -0.6 | -140.4 | 173.5 | -160.8 | 0 | 0 | 110.2 | ||||
| 1160 | T | 28.8 | Very low | 27.8 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | 152.8 | 147.9 | 112.4 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1161 | L | 24.8 | Very low | 28 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | cis | 87.5 | 125.1 | 26.3 | -64.4 | 172.7 | 0 | 0 | 0 | 113.8 | ||||
| 1162 | V | 26.2 | Very low | 28.3 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | cis | -157.4 | -177.3 | 4.3 | -152.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1163 | K | 27.9 | Very low | 28.4 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 81% | 0.809 | 73% | 0.729 | S | S | * | * | trans | 91 | 144.6 | 150.8 | -76.6 | 165.4 | -177.7 | -175.2 | 0 | 121.2 | ||||
| 1164 | N | 27.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | cis | -172.4 | 173.2 | -21.9 | -123.3 | 56.3 | 0 | 0 | 0 | 112.2 | ||||
| 1165 | D | 32.5 | Very low | 28.8 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | trans | 76 | 98.3 | 153.3 | -48.7 | -26 | 0 | 0 | 0 | 123.6 | ||||
| 1166 | D | 28.2 | Very low | 28.8 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | 57.9 | 148 | 117.4 | -50.5 | -12.3 | 0 | 0 | 0 | 126.5 | |||||
| 1167 | G | 31.7 | Very low | 28.8 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | 106.5 | 114.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1168 | D | 28.5 | Very low | 28.7 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | 78.9 | 147.9 | 50.8 | -59.2 | -63.6 | 0 | 0 | 0 | 113.8 | |||||
| 1169 | D | 32.3 | Very low | 28.7 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | cis | -133.5 | 160.1 | 19.5 | -32 | -85.6 | 0 | 0 | 0 | 116.4 | ||||
| 1170 | E | 29.8 | Very low | 28.6 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | 37.8 | 138.3 | 143.3 | -69 | -166.9 | 161.7 | 0 | 0 | 127.8 | ||||
| 1171 | H | 30.9 | Very low | 28.5 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | trans | 55.6 | 148.4 | 143.7 | -75.6 | -83.4 | 0 | 0 | 0 | 122 | ||||
| 1172 | D | 32.8 | Very low | 28.5 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | -148.1 | 177.6 | 17.9 | -139 | -11.8 | 0 | 0 | 0 | 115.2 | ||||
| 1173 | E | 28.6 | Very low | 28.5 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -68.2 | 171.4 | -174.6 | -60.6 | -157.9 | 116.6 | 0 | 0 | 114.4 | ||||
| 1174 | D | 32.8 | Very low | 28.5 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | cis | -161.9 | 174.6 | 45.7 | -160.4 | 2.9 | 0 | 0 | 0 | 115.1 | ||||
| 1175 | R | 27.6 | Very low | 28.3 | Very low | 204 Ų | 204 | 137.3 Ų | 137.3 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -121.2 | 145.9 | -153.1 | -89.9 | 177.4 | 165.4 | 178.7 | -1.8 | 115.1 | ||||
| 1176 | C | 24.7 | Very low | 28 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | 72.2 | 137.8 | 134.4 | -70.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1177 | H | 28.2 | Very low | 27.9 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 73% | 0.731 | 74% | 0.739 | S | S | * | * | trans | 63.2 | 113.2 | 139.5 | -64 | -44.4 | 0 | 0 | 0 | 122.6 | ||||
| 1178 | L | 24.2 | Very low | 27.7 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | 37.5 | 119.4 | 117.8 | -62.9 | 165.5 | 0 | 0 | 0 | 118.5 | |||||
| 1179 | I | 27.4 | Very low | 27.5 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | -159.6 | 168.9 | 117.9 | -105.9 | 157.9 | 0 | 0 | 0 | 111.6 | |||||
| 1180 | S | 25.6 | Very low | 27.4 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | trans | -83.5 | 157.5 | -153.9 | 55.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1181 | Q | 26.7 | Very low | 27.2 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | trans | 72.8 | 106.3 | 137.4 | -78.5 | 172.6 | 17.5 | 0 | 0 | 121.4 | ||||
| 1182 | S | 24.7 | Very low | 26.9 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | 94.3 | 166.8 | 111.6 | 79.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1183 | L | 26.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 83.9 | 94.3 | 168.7 | -54.8 | 177.1 | 0 | 0 | 0 | 120.4 | ||||
| 1184 | L | 26.1 | Very low | 26.5 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 52% | 0.524 | 75% | 0.745 | S | S | . | * | 78.3 | 101 | 122.8 | -64.1 | 168.1 | 0 | 0 | 0 | 122.3 | Q1107 | Q1107-L1184 HydrophobicContact CG-CD2 4.09Å; Q1107-L1184 VanDerWaalsContact NE2-CD2 3.3Å | |||
| 1185 | S | 23.8 | Very low | 26.1 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | 41.6 | 109.1 | 119.3 | 66.5 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1186 | S | 27.4 | Very low | 26 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | -163.5 | 132.9 | 124.1 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1187 | S | 24.7 | Very low | 26 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -112.9 | 159.6 | 154.2 | 65.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 1188 | P | 28.8 | Very low | 25.8 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | -149.4 | -170.9 | 86.1 | 39.9 | -20.9 | 0 | 0 | 0 | 115 | |||||
| 1189 | S | 25.1 | Very low | 25.9 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -90.2 | 156.4 | -174.2 | 51.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1190 | Q | 29.4 | Very low | 25.7 | Very low | 191 Ų | 191 | 127 Ų | 127 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | trans | -179.5 | 161.8 | 145.9 | -101.7 | 165 | 69.2 | 0 | 0 | 109.6 | ||||
| 1191 | S | 24.9 | Very low | 25.7 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 52% | 0.517 | 75% | 0.753 | S | S | . | * | cis | -174.5 | 148 | -43.2 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1192 | N | 25.4 | Very low | 25.6 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | 68.6 | 165 | 171.3 | -40.1 | -46 | 0 | 0 | 0 | 114.3 | ||||
| 1193 | T | 29.7 | Very low | 25.8 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | cis | -130.3 | 167.4 | 6.2 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1194 | S | 23.4 | Very low | 25.9 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -93.2 | 155.6 | -179.5 | 56.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1195 | S | 23.8 | Very low | 26 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 53.1 | 119.5 | 148.3 | 62.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1196 | L | 25.9 | Very low | 26.1 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -175.6 | 149.2 | 106.2 | -149.2 | 70.1 | 0 | 0 | 0 | 112.8 | |||||
| 1197 | A | 24.8 | Very low | 26.3 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 60% | 0.603 | 79% | 0.792 | S | S | * | * | trans | 52.7 | 131.8 | 145.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1198 | K | 24 | Very low | 26.5 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 80.8 | 116.7 | 135.4 | -75.3 | 174.6 | -179.7 | 178.2 | 0 | 122.1 | ||||
| 1199 | Q | 25.4 | Very low | 26.5 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | 79.1 | 119.4 | 124.8 | -68.9 | 174.9 | -42.7 | 0 | 0 | 121.2 | |||||
| 1200 | K | 23.6 | Very low | 26.6 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | trans | 53.9 | 115.9 | 139.7 | -60.9 | -179.7 | 176.9 | -176.3 | 0 | 118.2 | ||||
| 1201 | F | 26.2 | Very low | 26.4 | Very low | 213 Ų | 213 | 139.6 Ų | 139.6 | 93% | 0.934 | 77% | 0.77 | S | S | * | * | -147.7 | 153.5 | 103.4 | -117.1 | -82.1 | 0 | 0 | 0 | 110.7 | |||||
| 1202 | L | 24.2 | Very low | 26.3 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -115.5 | 137.6 | 178.5 | -101.7 | 157.8 | 0 | 0 | 0 | 108.6 | T1204 | L1202-T1204 HydrophobicContact CD2-CG2 4.35Š| ||
| 1203 | G | 29.3 | Very low | 26.5 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -146.9 | 103.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1204 | T | 27.5 | Very low | 26.9 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -107.1 | 148 | -173.3 | 52.5 | 0 | 0 | 0 | 0 | 112 | L1202 | L1202-T1204 HydrophobicContact CD2-CG2 4.35Š| ||
| 1205 | C | 27.9 | Very low | 27.2 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | trans | -129.4 | 127.2 | 152.1 | -159.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1206 | K | 27.3 | Very low | 27.5 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -164 | 127.7 | -175 | -167.3 | -178.5 | -173.7 | -178.7 | 0 | 110.9 | ||||
| 1207 | K | 30.6 | Very low | 27.5 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -159.4 | 152.3 | 171.1 | -89 | -174.2 | 179.9 | 178.1 | 0 | 107.8 | ||||
| 1208 | S | 28.8 | Very low | 27.7 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | cis | -173.6 | 144.6 | -26.9 | 39.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1209 | V | 29.8 | Very low | 27.7 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | 171.7 | 117.8 | 97.3 | 156.6 | 0 | 0 | 0 | 0 | 104.1 | |||||
| 1210 | Q | 26.5 | Very low | 27.7 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 73.5 | 139.9 | 78.8 | -76.5 | -168.7 | -39.9 | 0 | 0 | 114.2 | |||||
| 1211 | L | 24.6 | Very low | 27.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 67% | 0.665 | 76% | 0.763 | S | S | * | * | cis | -161.6 | 157.5 | 7 | -104.6 | 157.3 | 0 | 0 | 0 | 113.5 | ||||
| 1212 | L | 24 | Very low | 27.6 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | 73.5 | 157.7 | 149 | -67.3 | 161.9 | 0 | 0 | 0 | 124 | ||||
| 1213 | A | 30.1 | Very low | 27.6 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -165.7 | -176.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1214 | P | 37 | Very low | 27.4 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | cis | -123.3 | -125.2 | -5.2 | 30.2 | -3.3 | 0 | 0 | 0 | 110.4 | ||||
| 1215 | P | 31.1 | Very low | 27.2 | Very low | 102 Ų | 102 | 135 Ų | 135 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | cis | -140.3 | 176 | -26.9 | 39.3 | -19 | 0 | 0 | 0 | 119.1 | ||||
| 1216 | H | 28.1 | Very low | 27 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 58.7 | 137.9 | 149 | -83.2 | -72.5 | 0 | 0 | 0 | 126.4 | ||||
| 1217 | H | 27.2 | Very low | 26.9 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 92.7 | 79 | 148.5 | -84.5 | -60.3 | 0 | 0 | 0 | 125.6 | ||||
| 1218 | S | 28.3 | Very low | 26.6 | Very low | 53 Ų | 53 | 133.6 Ų | 133.6 | 37% | 0.371 | 75% | 0.754 | S | S | . | * | 34.5 | 129.4 | 122.5 | 65 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1219 | K | 25.1 | Very low | 26.4 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | 176.9 | 132.2 | 117.4 | -103.6 | 178 | -179 | 178.4 | 0 | 118.4 | |||||
| 1220 | S | 25.7 | Very low | 26.2 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | 65.2 | 143.1 | 142.8 | 58.1 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1221 | L | 23.8 | Very low | 26.2 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -50.4 | 165.4 | 173.9 | -57 | 69.2 | 0 | 0 | 0 | 114.5 | ||||
| 1222 | S | 23.2 | Very low | 26.3 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | cis | -166.1 | 164.6 | 36.3 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1223 | G | 24.7 | Very low | 26.3 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 167.4 | 140.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1224 | F | 23.9 | Very low | 26.1 | Very low | 206 Ų | 206 | 134.8 Ų | 134.8 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | trans | -102.7 | 144.5 | -167.7 | -109.1 | -97.9 | 0 | 0 | 0 | 115.4 | ||||
| 1225 | S | 23.8 | Very low | 25.5 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 77.8 | 148.5 | 148 | 80.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1226 | K | 24.5 | Very low | 25.2 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | 53.9 | 93 | 167.1 | -62.5 | -177.5 | -179.6 | 180 | 0 | 117.4 | ||||
| 1227 | E | 24.7 | Very low | 25.2 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | -174.5 | 137.3 | 120.7 | -103.5 | 164.6 | -156.9 | 0 | 0 | 110.3 | |||||
| 1228 | S | 24.3 | Very low | 25.1 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | trans | -138.1 | 66.6 | -178.6 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1229 | S | 24.8 | Very low | 25 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -150.5 | 153.4 | 171.7 | 71.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1230 | M | 24.6 | Very low | 25.1 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 62.5 | 111 | -178.6 | -62.6 | -162.1 | 169 | 0 | 0 | 118 | ||||
| 1231 | L | 26.3 | Very low | 25.1 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | -168.5 | 81.6 | 117.8 | -107.4 | 172.9 | 0 | 0 | 0 | 111.7 | |||||
| 1232 | L | 28.1 | Very low | 25.1 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | -157.6 | 25.3 | 158 | -120 | 166 | 0 | 0 | 0 | 114.3 | G1234 Y1235 | L1232-G1234 PolarHBondContact O-N 3.4Å; L1232-G1234 VanDerWaalsContact O-N 3.14Å; L1232-Y1235 HydrophobicContact CD2-CD2 4.22Å | ||
| 1233 | N | 24 | Very low | 25.2 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 109.8 | 165.1 | -71.9 | 4.5 | 0 | 0 | 0 | 108.2 | ||
| 1234 | G | 25.4 | Very low | 25.2 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.8 | -23.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1232 | L1232-G1234 PolarHBondContact O-N 3.4Å; L1232-G1234 VanDerWaalsContact O-N 3.14Å |
| 1235 | Y | 24.9 | Very low | 25.3 | Very low | 190 Ų | 190 | 127.4 Ų | 127.4 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | trans | -117.9 | 102 | 173.7 | -75.2 | -84.2 | 0 | 0 | 0 | 110.8 | L1232 V1237 | L1232-Y1235 HydrophobicContact CD2-CD2 4.22Å; Y1235-V1237 PolarHBondContact O-N 3.21Å | ||
| 1236 | T | 24.7 | Very low | 25.4 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | trans | -66.6 | 111.3 | 161.8 | 41.7 | 0 | 0 | 0 | 0 | 108.5 | N1238 | T1236-N1238 PolarHBondContact O-N 3.32Š| ||
| 1237 | V | 28 | Very low | 25.7 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 74% | 0.739 | 72% | 0.716 | S | S | * | * | trans | -78.4 | 42.1 | 176.5 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | Y1235 | Y1235-V1237 PolarHBondContact O-N 3.21Š| ||
| 1238 | N | 24.9 | Very low | 26.1 | Very low | 145 Ų | 145 | 114.6 Ų | 114.6 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | trans | -113.3 | 33.4 | -171 | -65.7 | 0.1 | 0 | 0 | 0 | 111.2 | T1236 | T1236-N1238 PolarHBondContact O-N 3.32Š| ||
| 1239 | S | 25.8 | Very low | 26.7 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -151.6 | 22.8 | -172.5 | 56 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1240 | V | 26.9 | Very low | 27.6 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 63% | 0.63 | 68% | 0.681 | S | S | * | * | trans | -120.3 | 39.5 | 177.4 | -157.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1241 | G | 25.1 | Very low | 28.6 | Very low | 54 Ų | 54 | 112 Ų | 112 | 56% | 0.557 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -89.6 | -22.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1242 | S | 25.6 | Very low | 29.7 | Very low | 114 Ų | 114 | 106.3 Ų | 106.3 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -157.7 | 55.5 | -163.1 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1243 | L | 24.6 | Very low | 31 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | trans | -123.4 | 137.2 | 173.9 | -70.2 | 171 | 0 | 0 | 0 | 112.6 | I1246 | L1243-I1246 HydrophobicContact CB-CD1 4.19Å; L1243-I1246 HydrophobicContact CD1-CD1 4.13Å; L1243-I1246 HydrophobicContact CD2-CD1 3.96Å; L1243-I1246 HydrophobicContact CG-CD1 4.31Å | ||
| 1244 | S | 25.1 | Very low | 32.5 | Very low | 92 Ų | 92 | 101.4 Ų | 101.4 | 64% | 0.643 | 62% | 0.615 | S | S | * | * | trans | -68.7 | 176.3 | 167.2 | 62.3 | 0 | 0 | 0 | 0 | 110 | I1246 | S1244-I1246 PolarHBondContact O-N 3.2Š| ||
| 1245 | P | 25.6 | Very low | 33.8 | Very low | 139 Ų | 139 | 99.1 Ų | 99.1 | 90% | 0.903 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -67.3 | 106 | -163 | 27 | -33.6 | 0 | 0 | 0 | 112.5 | ||
| 1246 | I | 26.2 | Very low | 35.5 | Very low | 98 Ų | 98 | 96.5 Ų | 96.5 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | trans | -115.7 | 133 | -179 | -73.9 | 175.2 | 0 | 0 | 0 | 109.9 | L1243 S1244 | L1243-I1246 HydrophobicContact CB-CD1 4.19Å; L1243-I1246 HydrophobicContact CD1-CD1 4.13Å; L1243-I1246 HydrophobicContact CD2-CD1 3.96Å; L1243-I1246 HydrophobicContact CG-CD1 4.31Å; S1244-I1246 PolarHBondContact O-N 3.2Å | ||
| 1247 | S | 30 | Very low | 37.9 | Very low | 60 Ų | 60 | 97.4 Ų | 97.4 | 42% | 0.42 | 57% | 0.571 | S | S | . | * | trans | 23.4 | 124.7 | 175.1 | 62.2 | 0 | 0 | 0 | 0 | 120.1 | E1249 | S1247-E1249 PolarHBondContact O-N 2.81Š| ||
| 1248 | G | 32.7 | Very low | 39.6 | Very low | 57 Ų | 57 | 91.7 Ų | 91.7 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -3.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | S1252 | G1248-S1252 PolarHBondContact O-N 3.28Å; G1248-S1252 VanDerWaalsContact O-N 3.11Å |
| 1249 | E | 37 | Very low | 41.5 | Very low | 144 Ų | 144 | 87.6 Ų | 87.6 | 67% | 0.673 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -41.5 | 178.8 | -64 | -179.8 | 128 | 0 | 0 | 112.1 | S1247 N1251 S1252 I1253 | S1247-E1249 PolarHBondContact O-N 2.81Å; E1249-N1251 PolarHBondContact O-N 3.42Å; E1249-S1252 WeakPolarHBondContact O-CB 3.48Å; E1249-S1252 PolarHBondContact O-N 3.16Å; E1249-S1252 VanDerWaalsContact O-N 3.11Å; E1249-I1253 WeakPolarHBondContact O-CG1 3.48Å; E1249-I1253 PolarHBondContact O-N 3.4Å; E1249-I1253 VanDerWaalsContact O-N 3.08Å |
| 1250 | I | 44.1 | Very low | 43.3 | Very low | 92 Ų | 92 | 90.2 Ų | 90.2 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 179.4 | -62.5 | 175.8 | 0 | 0 | 0 | 110.1 | S1252 I1253 I1254 | I1250-S1252 VanDerWaalsContact C-N 3.32Å; I1250-S1252 PolarHBondContact O-N 3.05Å; I1250-I1253 PolarHBondContact O-N 2.86Å; I1250-I1254 HydrophobicContact CG2-CD1 3.94Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.27Å; I1250-I1254 PolarHBondContact O-N 3.08Å |
| 1251 | N | 46.2 | Very low | 45.2 | Very low | 90 Ų | 90 | 86 Ų | 86 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 173.6 | -71.5 | -16.5 | 0 | 0 | 0 | 111.6 | E1249 I1253 I1254 C1255 | E1249-N1251 PolarHBondContact O-N 3.42Å; N1251-I1253 VanDerWaalsContact C-N 3.29Å; N1251-I1253 PolarHBondContact O-N 3.47Å; N1251-I1254 PolarHBondContact O-N 2.83Å; N1251-C1255 WeakPolarHBondContact O-CB 3.36Å; N1251-C1255 PolarHBondContact O-N 3.49Å; N1251-C1255 PolarHBondContact O-SG 3.42Å |
| 1252 | S | 49.7 | Very low | 47 | Very low | 51 Ų | 51 | 84 Ų | 84 | 36% | 0.357 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60 | -38 | 175.6 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | G1248 E1249 I1250 K1256 | G1248-S1252 PolarHBondContact O-N 3.28Å; G1248-S1252 VanDerWaalsContact O-N 3.11Å; E1249-S1252 WeakPolarHBondContact O-CB 3.48Å; E1249-S1252 PolarHBondContact O-N 3.16Å; E1249-S1252 VanDerWaalsContact O-N 3.11Å; I1250-S1252 VanDerWaalsContact C-N 3.32Å; I1250-S1252 PolarHBondContact O-N 3.05Å; S1252-K1256 WeakPolarHBondContact O-CB 3.24Å; S1252-K1256 WeakPolarHBondContact O-CD 3.26Å; S1252-K1256 VanDerWaalsContact O-CG 3.3Å; S1252-K1256 WeakPolarHBondContact O-CG 3.34Å; S1252-K1256 PolarHBondContact O-N 2.9Å; S1252-K1256 VanDerWaalsContact O-N 3.14Å; S1252-K1256 PolarHBondContact OG-NZ 2.87Å |
| 1253 | I | 55.5 | Low | 48.9 | Very low | 115 Ų | 115 | 85.3 Ų | 85.3 | 59% | 0.59 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.8 | -47.4 | 178.1 | -65.6 | 165.1 | 0 | 0 | 0 | 110.5 | E1249 I1250 N1251 C1255 K1256 W1257 | E1249-I1253 WeakPolarHBondContact O-CG1 3.48Å; E1249-I1253 PolarHBondContact O-N 3.4Å; E1249-I1253 VanDerWaalsContact O-N 3.08Å; I1250-I1253 PolarHBondContact O-N 2.86Å; N1251-I1253 VanDerWaalsContact C-N 3.29Å; N1251-I1253 PolarHBondContact O-N 3.47Å; I1253-C1255 PolarHBondContact O-N 3.15Å; I1253-K1256 PolarHBondContact O-N 3.28Å; I1253-W1257 PolarHBondContact O-N 3.07Å |
| 1254 | I | 55.4 | Low | 50.9 | Low | 56 Ų | 56 | 82 Ų | 82 | 29% | 0.287 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | -179.3 | -57.1 | 166.2 | 0 | 0 | 0 | 110.9 | I1250 N1251 K1256 W1257 F1258 L1277 W1287 | I1250-I1254 HydrophobicContact CG2-CD1 3.94Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.27Å; I1250-I1254 PolarHBondContact O-N 3.08Å; N1251-I1254 PolarHBondContact O-N 2.83Å; I1254-K1256 PolarHBondContact O-N 3.32Å; I1254-W1257 PolarHBondContact O-N 2.99Å; I1254-F1258 WeakPolarHBondContact O-CB 3.45Å; I1254-F1258 PolarHBondContact O-N 3.49Å; I1254-L1277 HydrophobicContact CG2-CD2 4.4Å; I1254-W1287 HydrophobicContact CB-CH2 4.12Å; I1254-W1287 HydrophobicContact CG2-CH2 3.42Å; I1254-W1287 VanDerWaalsContact CG2-CH2 3.42Å; I1254-W1287 HydrophobicContact CG2-CZ2 4.4Å; I1254-W1287 HydrophobicContact CG2-CZ3 3.66Å |
| 1255 | C | 52.7 | Low | 52.2 | Low | 23 Ų | 23 | 79.7 Ų | 79.7 | 16% | 0.155 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 171.9 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | N1251 I1253 W1257 F1258 I1259 W1287 | N1251-C1255 WeakPolarHBondContact O-CB 3.36Å; N1251-C1255 PolarHBondContact O-N 3.49Å; N1251-C1255 PolarHBondContact O-SG 3.42Å; I1253-C1255 PolarHBondContact O-N 3.15Å; C1255-W1257 VanDerWaalsContact C-N 3.31Å; C1255-W1257 PolarHBondContact O-N 2.89Å; C1255-F1258 PolarHBondContact O-N 3.18Å; C1255-I1259 WeakPolarHBondContact O-CB 3.33Å; C1255-I1259 WeakPolarHBondContact O-CD1 3.26Å; C1255-I1259 VanDerWaalsContact O-CG1 3.26Å; C1255-I1259 WeakPolarHBondContact O-CG1 3.08Å; C1255-I1259 PolarHBondContact O-N 3.08Å; C1255-W1287 VanDerWaalsContact SG-CD2 3.56Å |
| 1256 | K | 60.5 | Low | 53.9 | Low | 136 Ų | 136 | 79.1 Ų | 79.1 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.8 | -34.9 | -179.6 | -76 | 168.5 | 179.5 | 163.9 | 0 | 112.7 | S1252 I1253 I1254 K1260 | S1252-K1256 WeakPolarHBondContact O-CB 3.24Å; S1252-K1256 WeakPolarHBondContact O-CD 3.26Å; S1252-K1256 VanDerWaalsContact O-CG 3.3Å; S1252-K1256 WeakPolarHBondContact O-CG 3.34Å; S1252-K1256 PolarHBondContact O-N 2.9Å; S1252-K1256 VanDerWaalsContact O-N 3.14Å; S1252-K1256 PolarHBondContact OG-NZ 2.87Å; I1253-K1256 PolarHBondContact O-N 3.28Å; I1254-K1256 PolarHBondContact O-N 3.32Å; K1256-K1260 WeakPolarHBondContact O-CG 3.25Å; K1256-K1260 PolarHBondContact O-N 3.08Å |
| 1257 | W | 74.8 | Confident | 55.4 | Low | 129 Ų | 129 | 75.1 Ų | 75.1 | 49% | 0.489 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.7 | -48.9 | 172.9 | 173.5 | 83.5 | 0 | 0 | 0 | 111.5 | I1253 I1254 C1255 I1259 K1260 L1261 A1273 | I1253-W1257 PolarHBondContact O-N 3.07Å; I1254-W1257 PolarHBondContact O-N 2.99Å; C1255-W1257 VanDerWaalsContact C-N 3.31Å; C1255-W1257 PolarHBondContact O-N 2.89Å; W1257-I1259 PolarHBondContact O-N 2.97Å; W1257-K1260 PolarHBondContact O-N 3.3Å; W1257-L1261 HydrophobicContact CD2-CD1 4.27Å; W1257-L1261 HydrophobicContact CE3-CD1 4.45Å; W1257-L1261 HydrophobicContact CH2-CD1 3.57Å; W1257-L1261 HydrophobicContact CZ2-CD1 3.31Å; W1257-L1261 HydrophobicContact CZ3-CD1 4.14Å; W1257-L1261 WeakPolarHBondContact O-CB 3.32Å; W1257-L1261 PolarHBondContact O-N 3.23Å; W1257-A1273 HydrophobicContact CH2-CB 3.8Å; W1257-A1273 HydrophobicContact CZ3-CB 4.22Å |
| 1258 | F | 63.2 | Low | 56.5 | Low | 3 Ų | 3 | 78.9 Ų | 78.9 | 1% | 0.013 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | -178.1 | -170.8 | -99.9 | 0 | 0 | 0 | 112.5 | I1254 C1255 L1261 V1262 A1273 L1274 L1277 L1284 I1288 | I1254-F1258 WeakPolarHBondContact O-CB 3.45Å; I1254-F1258 PolarHBondContact O-N 3.49Å; C1255-F1258 PolarHBondContact O-N 3.18Å; F1258-L1261 WeakPolarHBondContact O-CB 3.49Å; F1258-L1261 PolarHBondContact O-N 3.33Å; F1258-L1261 VanDerWaalsContact O-N 3.16Å; F1258-V1262 HydrophobicContact CD1-CG2 4.17Å; F1258-V1262 HydrophobicContact CE1-CG2 3.76Å; F1258-V1262 HydrophobicContact CZ-CG2 4.07Å; F1258-V1262 WeakPolarHBondContact O-CG2 3.19Å; F1258-V1262 PolarHBondContact O-N 2.86Å; F1258-A1273 HydrophobicContact CE2-CB 4.38Å; F1258-L1274 HydrophobicContact CE2-CD2 4.11Å; F1258-L1274 HydrophobicContact CE2-CG 4.28Å; F1258-L1274 HydrophobicContact CZ-CD2 3.81Å; F1258-L1274 HydrophobicContact CZ-CG 4.21Å; F1258-L1277 HydrophobicContact CD2-CD1 3.88Å; F1258-L1277 HydrophobicContact CE2-CD1 4.02Å; F1258-L1284 HydrophobicContact CE1-CD2 3.68Å; F1258-L1284 HydrophobicContact CZ-CD2 3.87Å; F1258-I1288 HydrophobicContact CD1-CD1 3.84Å; F1258-I1288 HydrophobicContact CE1-CD1 3.97Å |
| 1259 | I | 64.1 | Low | 57.9 | Low | 58 Ų | 58 | 79 Ų | 79 | 30% | 0.297 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.5 | -51.8 | 173.4 | -70.4 | 163.7 | 0 | 0 | 0 | 110.3 | C1255 W1257 L1261 V1262 E1263 I1288 | C1255-I1259 WeakPolarHBondContact O-CB 3.33Å; C1255-I1259 WeakPolarHBondContact O-CD1 3.26Å; C1255-I1259 VanDerWaalsContact O-CG1 3.26Å; C1255-I1259 WeakPolarHBondContact O-CG1 3.08Å; C1255-I1259 PolarHBondContact O-N 3.08Å; W1257-I1259 PolarHBondContact O-N 2.97Å; I1259-L1261 PolarHBondContact O-N 2.98Å; I1259-V1262 PolarHBondContact O-N 2.05Å; I1259-E1263 HydrophobicContact CG2-CG 4.41Å; I1259-E1263 VanDerWaalsContact O-CG 3.31Å; I1259-E1263 WeakPolarHBondContact O-CG 3.26Å; I1259-E1263 PolarHBondContact O-N 3.23Å; I1259-I1288 HydrophobicContact CG1-CD1 3.9Å; I1259-I1288 HydrophobicContact CG1-CG1 3.82Å |
| 1260 | K | 64.9 | Low | 59.2 | Low | 149 Ų | 149 | 72.5 Ų | 72.5 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.5 | -31.5 | 175.4 | -78.1 | -173.6 | 172.4 | -169 | 0 | 113.5 | K1256 W1257 E1263 S1264 | K1256-K1260 WeakPolarHBondContact O-CG 3.25Å; K1256-K1260 PolarHBondContact O-N 3.08Å; W1257-K1260 PolarHBondContact O-N 3.3Å; K1260-E1263 WeakPolarHBondContact CA-OE2 3.44Å; K1260-S1264 WeakPolarHBondContact O-CB 3.44Å; K1260-S1264 PolarHBondContact O-N 2.78Å |
| 1261 | L | 66.5 | Low | 59.9 | Low | 15 Ų | 15 | 69.3 Ų | 69.3 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.7 | -39.5 | 179.9 | -155.3 | 159.7 | 0 | 0 | 0 | 111.1 | W1257 F1258 I1259 S1264 T1269 V1270 A1273 | W1257-L1261 HydrophobicContact CD2-CD1 4.27Å; W1257-L1261 HydrophobicContact CE3-CD1 4.45Å; W1257-L1261 HydrophobicContact CH2-CD1 3.57Å; W1257-L1261 HydrophobicContact CZ2-CD1 3.31Å; W1257-L1261 HydrophobicContact CZ3-CD1 4.14Å; W1257-L1261 WeakPolarHBondContact O-CB 3.32Å; W1257-L1261 PolarHBondContact O-N 3.23Å; F1258-L1261 WeakPolarHBondContact O-CB 3.49Å; F1258-L1261 PolarHBondContact O-N 3.33Å; F1258-L1261 VanDerWaalsContact O-N 3.16Å; I1259-L1261 PolarHBondContact O-N 2.98Å; L1261-S1264 WeakPolarHBondContact O-CB 3.45Å; L1261-S1264 PolarHBondContact O-N 3.1Å; L1261-S1264 PolarHBondContact O-OG 3.23Å; L1261-T1269 HydrophobicContact CD1-CG2 4.16Å; L1261-T1269 HydrophobicContact CD2-CG2 3.95Å; L1261-T1269 HydrophobicContact CG-CG2 4.22Å; L1261-V1270 HydrophobicContact CD2-CB 4.2Å; L1261-V1270 HydrophobicContact CD2-CG2 3.54Å; L1261-A1273 HydrophobicContact CD1-CB 4Å; L1261-A1273 HydrophobicContact CD2-CB 4.33Å |
| 1262 | V | 62.7 | Low | 60.6 | Low | 11 Ų | 11 | 68.8 Ų | 68.8 | 7% | 0.067 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 169.7 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | F1258 I1259 S1264 G1265 I1288 W1296 | F1258-V1262 HydrophobicContact CD1-CG2 4.17Å; F1258-V1262 HydrophobicContact CE1-CG2 3.76Å; F1258-V1262 HydrophobicContact CZ-CG2 4.07Å; F1258-V1262 WeakPolarHBondContact O-CG2 3.19Å; F1258-V1262 PolarHBondContact O-N 2.86Å; I1259-V1262 PolarHBondContact O-N 2.05Å; V1262-S1264 VanDerWaalsContact C-N 3.28Å; V1262-S1264 PolarHBondContact O-N 2.93Å; V1262-G1265 PolarHBondContact O-N 3.08Å; V1262-I1288 HydrophobicContact CG2-CD1 4.15Å; V1262-W1296 VanDerWaalsContact CG1-CD1 3.47Å; V1262-W1296 HydrophobicContact CG1-CD2 4.39Å; V1262-W1296 HydrophobicContact CG1-CG 3.96Å; V1262-W1296 PolarHBondContact O-NE1 3.44Å |
| 1263 | E | 65.4 | Low | 61.3 | Low | 142 Ų | 142 | 66.6 Ų | 66.6 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62 | -31.3 | 174.3 | -70.6 | 169.7 | 162.5 | 0 | 0 | 112.8 | I1259 K1260 G1265 | I1259-E1263 HydrophobicContact CG2-CG 4.41Å; I1259-E1263 VanDerWaalsContact O-CG 3.31Å; I1259-E1263 WeakPolarHBondContact O-CG 3.26Å; I1259-E1263 PolarHBondContact O-N 3.23Å; K1260-E1263 WeakPolarHBondContact CA-OE2 3.44Å; E1263-G1265 PolarHBondContact O-N 2.95Å |
| 1264 | S | 66.9 | Low | 61.5 | Low | 62 Ų | 62 | 62 Ų | 62 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.4 | 178.7 | 80.9 | 0 | 0 | 0 | 0 | 114.7 | K1260 L1261 V1262 H1266 | K1260-S1264 WeakPolarHBondContact O-CB 3.44Å; K1260-S1264 PolarHBondContact O-N 2.78Å; L1261-S1264 WeakPolarHBondContact O-CB 3.45Å; L1261-S1264 PolarHBondContact O-N 3.1Å; L1261-S1264 PolarHBondContact O-OG 3.23Å; V1262-S1264 VanDerWaalsContact C-N 3.28Å; V1262-S1264 PolarHBondContact O-N 2.93Å; S1264-H1266 PolarHBondContact O-N 3.21Å |
| 1265 | G | 53.5 | Low | 61.7 | Low | 44 Ų | 44 | 64.4 Ų | 64.4 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | trans | 70.9 | -5.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | V1262 E1263 V1267 | V1262-G1265 PolarHBondContact O-N 3.08Å; E1263-G1265 PolarHBondContact O-N 2.95Å; G1265-V1267 PolarHBondContact O-N 2.82Å | ||
| 1266 | H | 60.1 | Low | 62 | Low | 127 Ų | 127 | 67.5 Ų | 67.5 | 59% | 0.588 | 36% | 0.359 | S | S | * | . | trans | -75.9 | 93.1 | 178.6 | -87.4 | -93 | 0 | 0 | 0 | 111.9 | S1264 Q1268 T1269 V1270 | S1264-H1266 PolarHBondContact O-N 3.21Å; H1266-Q1268 VanDerWaalsContact C-N 3.3Å; H1266-Q1268 PolarHBondContact O-N 3.47Å; H1266-T1269 WeakPolarHBondContact CB-OG1 2.93Å; H1266-T1269 WeakPolarHBondContact O-CA 3.41Å; H1266-T1269 WeakPolarHBondContact O-CB 3.47Å; H1266-T1269 PolarHBondContact O-N 3Å; H1266-V1270 PolarHBondContact O-N 2.97Å | ||
| 1267 | V | 57.7 | Low | 61.8 | Low | 13 Ų | 13 | 63.1 Ų | 63.1 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.8 | -36.4 | -178.5 | -179.3 | 0 | 0 | 0 | 0 | 113.2 | G1265 T1269 V1270 C1271 W1296 Y1300 Y1321 | G1265-V1267 PolarHBondContact O-N 2.82Å; V1267-T1269 VanDerWaalsContact C-N 3.27Å; V1267-T1269 PolarHBondContact O-N 2.87Å; V1267-V1270 PolarHBondContact O-N 3.16Å; V1267-C1271 WeakPolarHBondContact O-CB 3.43Å; V1267-C1271 PolarHBondContact O-N 2.87Å; V1267-C1271 PolarHBondContact O-SG 2.72Å; V1267-C1271 VanDerWaalsContact O-SG 3.34Å; V1267-W1296 HydrophobicContact CB-CH2 4.42Å; V1267-W1296 HydrophobicContact CG1-CH2 4.28Å; V1267-W1296 HydrophobicContact CG2-CH2 3.74Å; V1267-W1296 HydrophobicContact CG2-CZ2 3.86Å; V1267-Y1300 HydrophobicContact CB-CE2 4.35Å; V1267-Y1300 HydrophobicContact CG1-CE1 4.24Å; V1267-Y1300 HydrophobicContact CG2-CD1 4.39Å; V1267-Y1300 HydrophobicContact CG2-CD2 3.75Å; V1267-Y1300 HydrophobicContact CG2-CE1 4.06Å; V1267-Y1300 HydrophobicContact CG2-CE2 3.39Å; V1267-Y1300 HydrophobicContact CG2-CG 4.24Å; V1267-Y1321 HydrophobicContact CG1-CE1 4.15Å |
| 1268 | Q | 54.1 | Low | 60.4 | Low | 140 Ų | 140 | 58 Ų | 58 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -52.1 | -48.4 | 171.9 | -166 | 87.2 | 3 | 0 | 0 | 110.9 | H1266 C1271 T1272 | H1266-Q1268 VanDerWaalsContact C-N 3.3Å; H1266-Q1268 PolarHBondContact O-N 3.47Å; Q1268-C1271 PolarHBondContact O-N 2.86Å; Q1268-T1272 PolarHBondContact O-N 3.16Å; Q1268-T1272 PolarHBondContact O-OG1 2.93Å |
| 1269 | T | 61.1 | Low | 59.7 | Low | 60 Ų | 60 | 61.8 Ų | 61.8 | 37% | 0.368 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -74.2 | -36 | -177.4 | -37.7 | 0 | 0 | 0 | 0 | 112 | L1261 H1266 V1267 T1272 A1273 | L1261-T1269 HydrophobicContact CD1-CG2 4.16Å; L1261-T1269 HydrophobicContact CD2-CG2 3.95Å; L1261-T1269 HydrophobicContact CG-CG2 4.22Å; H1266-T1269 WeakPolarHBondContact CB-OG1 2.93Å; H1266-T1269 WeakPolarHBondContact O-CA 3.41Å; H1266-T1269 WeakPolarHBondContact O-CB 3.47Å; H1266-T1269 PolarHBondContact O-N 3Å; V1267-T1269 VanDerWaalsContact C-N 3.27Å; V1267-T1269 PolarHBondContact O-N 2.87Å; T1269-T1272 WeakPolarHBondContact CA-OG1 3.14Å; T1269-T1272 PolarHBondContact O-OG1 3.46Å; T1269-A1273 WeakPolarHBondContact O-CB 3.44Å; T1269-A1273 PolarHBondContact O-N 3.22Å |
| 1270 | V | 64.2 | Low | 58.8 | Low | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.036 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 173.3 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | L1261 H1266 V1267 A1273 L1274 W1296 | L1261-V1270 HydrophobicContact CD2-CB 4.2Å; L1261-V1270 HydrophobicContact CD2-CG2 3.54Å; H1266-V1270 PolarHBondContact O-N 2.97Å; V1267-V1270 PolarHBondContact O-N 3.16Å; V1270-A1273 PolarHBondContact O-N 3.49Å; V1270-L1274 HydrophobicContact CG1-CD1 4.08Å; V1270-L1274 WeakPolarHBondContact O-CB 3.21Å; V1270-L1274 VanDerWaalsContact O-CG 3.27Å; V1270-L1274 WeakPolarHBondContact O-CG 3.35Å; V1270-L1274 PolarHBondContact O-N 3.01Å; V1270-W1296 HydrophobicContact CB-CH2 4.27Å; V1270-W1296 HydrophobicContact CB-CZ2 4.28Å; V1270-W1296 HydrophobicContact CG1-CH2 4.04Å; V1270-W1296 HydrophobicContact CG1-CZ2 4.27Å; V1270-W1296 HydrophobicContact CG2-CH2 4.4Å; V1270-W1296 HydrophobicContact CG2-CZ2 3.91Å |
| 1271 | C | 59.2 | Low | 57.7 | Low | 26 Ų | 26 | 69.3 Ų | 69.3 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67 | -43 | 176.9 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | V1267 Q1268 L1274 L1275 | V1267-C1271 WeakPolarHBondContact O-CB 3.43Å; V1267-C1271 PolarHBondContact O-N 2.87Å; V1267-C1271 PolarHBondContact O-SG 2.72Å; V1267-C1271 VanDerWaalsContact O-SG 3.34Å; Q1268-C1271 PolarHBondContact O-N 2.86Å; C1271-L1274 PolarHBondContact O-N 2.9Å; C1271-L1275 WeakPolarHBondContact O-CB 3.31Å; C1271-L1275 VanDerWaalsContact O-CG 3.23Å; C1271-L1275 WeakPolarHBondContact O-CG 3.2Å; C1271-L1275 PolarHBondContact O-N 3.35Å |
| 1272 | T | 61.1 | Low | 56.7 | Low | 78 Ų | 78 | 69.8 Ų | 69.8 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 174.9 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | Q1268 T1269 L1275 A1276 | Q1268-T1272 PolarHBondContact O-N 3.16Å; Q1268-T1272 PolarHBondContact O-OG1 2.93Å; T1269-T1272 WeakPolarHBondContact CA-OG1 3.14Å; T1269-T1272 PolarHBondContact O-OG1 3.46Å; T1272-L1275 PolarHBondContact O-N 2.83Å; T1272-A1276 VanDerWaalsContact O-CB 3.23Å; T1272-A1276 WeakPolarHBondContact O-CB 3.01Å; T1272-A1276 PolarHBondContact O-N 3.27Å |
| 1273 | A | 63.8 | Low | 56.1 | Low | 6 Ų | 6 | 77.2 Ų | 77.2 | 5% | 0.05 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.9 | -47 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W1257 F1258 L1261 T1269 V1270 A1276 L1277 | W1257-A1273 HydrophobicContact CH2-CB 3.8Å; W1257-A1273 HydrophobicContact CZ3-CB 4.22Å; F1258-A1273 HydrophobicContact CE2-CB 4.38Å; L1261-A1273 HydrophobicContact CD1-CB 4Å; L1261-A1273 HydrophobicContact CD2-CB 4.33Å; T1269-A1273 WeakPolarHBondContact O-CB 3.44Å; T1269-A1273 PolarHBondContact O-N 3.22Å; V1270-A1273 PolarHBondContact O-N 3.49Å; A1273-A1276 PolarHBondContact O-N 2.87Å; A1273-L1277 WeakPolarHBondContact O-CB 3.39Å; A1273-L1277 WeakPolarHBondContact O-CD1 3.47Å; A1273-L1277 WeakPolarHBondContact O-CG 3.09Å; A1273-L1277 PolarHBondContact O-N 3.11Å |
| 1274 | L | 60.8 | Low | 55.5 | Low | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 174.5 | -77.2 | 171.5 | 0 | 0 | 0 | 111.7 | F1258 V1270 C1271 A1276 L1277 G1278 L1284 L1324 F1328 | F1258-L1274 HydrophobicContact CE2-CD2 4.11Å; F1258-L1274 HydrophobicContact CE2-CG 4.28Å; F1258-L1274 HydrophobicContact CZ-CD2 3.81Å; F1258-L1274 HydrophobicContact CZ-CG 4.21Å; V1270-L1274 HydrophobicContact CG1-CD1 4.08Å; V1270-L1274 WeakPolarHBondContact O-CB 3.21Å; V1270-L1274 VanDerWaalsContact O-CG 3.27Å; V1270-L1274 WeakPolarHBondContact O-CG 3.35Å; V1270-L1274 PolarHBondContact O-N 3.01Å; C1271-L1274 PolarHBondContact O-N 2.9Å; L1274-A1276 VanDerWaalsContact C-N 3.32Å; L1274-A1276 PolarHBondContact O-N 3.24Å; L1274-L1277 PolarHBondContact O-N 3.27Å; L1274-G1278 PolarHBondContact O-N 3.46Å; L1274-L1284 HydrophobicContact CD2-CD1 3.93Å; L1274-L1284 HydrophobicContact CD2-CD2 4.05Å; L1274-L1324 HydrophobicContact CD1-CD2 3.9Å; L1274-F1328 HydrophobicContact CB-CE2 3.73Å; L1274-F1328 HydrophobicContact CB-CZ 3.77Å; L1274-F1328 HydrophobicContact CD1-CE2 4.3Å; L1274-F1328 HydrophobicContact CD2-CD2 4.09Å; L1274-F1328 HydrophobicContact CD2-CE1 4.24Å; L1274-F1328 HydrophobicContact CD2-CE2 3.81Å; L1274-F1328 HydrophobicContact CD2-CG 4.49Å; L1274-F1328 HydrophobicContact CD2-CZ 3.91Å; L1274-F1328 HydrophobicContact CG-CE2 4.16Å; L1274-F1328 HydrophobicContact CG-CZ 4.4Å; L1274-F1328 VanDerWaalsContact O-CZ 3.32Å; L1274-F1328 WeakPolarHBondContact O-CZ 3.39Å |
| 1275 | L | 59.3 | Low | 54.6 | Low | 106 Ų | 106 | 71 Ų | 71 | 56% | 0.555 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.8 | -38.7 | 177.7 | -72.2 | 166.1 | 0 | 0 | 0 | 112.5 | C1271 T1272 L1324 | C1271-L1275 WeakPolarHBondContact O-CB 3.31Å; C1271-L1275 VanDerWaalsContact O-CG 3.23Å; C1271-L1275 WeakPolarHBondContact O-CG 3.2Å; C1271-L1275 PolarHBondContact O-N 3.35Å; T1272-L1275 PolarHBondContact O-N 2.83Å; L1275-L1324 HydrophobicContact CD2-CD1 4.17Å; L1275-L1324 HydrophobicContact CG-CD1 4.42Å |
| 1276 | A | 57.7 | Low | 54.5 | Low | 88 Ų | 88 | 74.8 Ų | 74.8 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -73.5 | -26 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1272 A1273 L1274 | T1272-A1276 VanDerWaalsContact O-CB 3.23Å; T1272-A1276 WeakPolarHBondContact O-CB 3.01Å; T1272-A1276 PolarHBondContact O-N 3.27Å; A1273-A1276 PolarHBondContact O-N 2.87Å; L1274-A1276 VanDerWaalsContact C-N 3.32Å; L1274-A1276 PolarHBondContact O-N 3.24Å |
| 1277 | L | 57.8 | Low | 54.3 | Low | 45 Ų | 45 | 70.9 Ų | 70.9 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -79.8 | -21.4 | 178.4 | -73.2 | 163.5 | 0 | 0 | 0 | 113.4 | I1254 F1258 A1273 L1274 L1282 W1287 | I1254-L1277 HydrophobicContact CG2-CD2 4.4Å; F1258-L1277 HydrophobicContact CD2-CD1 3.88Å; F1258-L1277 HydrophobicContact CE2-CD1 4.02Å; A1273-L1277 WeakPolarHBondContact O-CB 3.39Å; A1273-L1277 WeakPolarHBondContact O-CD1 3.47Å; A1273-L1277 WeakPolarHBondContact O-CG 3.09Å; A1273-L1277 PolarHBondContact O-N 3.11Å; L1274-L1277 PolarHBondContact O-N 3.27Å; L1277-L1282 HydrophobicContact CB-CD1 3.68Å; L1277-L1282 HydrophobicContact CD1-CD1 3.82Å; L1277-L1282 HydrophobicContact CD2-CD1 4.22Å; L1277-L1282 HydrophobicContact CG-CD1 4.1Å; L1277-W1287 HydrophobicContact CD1-CZ3 4.49Å |
| 1278 | G | 45.1 | Very low | 54.3 | Low | 20 Ų | 20 | 70.7 Ų | 70.7 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | trans | 76.7 | 157 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1274 E1280 | L1274-G1278 PolarHBondContact O-N 3.46Å; G1278-E1280 PolarHBondContact O-N 2.99Å | ||
| 1279 | P | 47.3 | Very low | 54.9 | Low | 83 Ų | 83 | 66.6 Ų | 66.6 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -19.2 | -170.4 | 30.7 | -35.8 | 0 | 0 | 0 | 114.8 | ||
| 1280 | E | 45.5 | Very low | 55 | Low | 163 Ų | 163 | 66.6 Ų | 66.6 | 76% | 0.762 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -23 | -168.5 | -61.2 | -157.9 | 132.6 | 0 | 0 | 115.2 | G1278 | G1278-E1280 PolarHBondContact O-N 2.99Š|
| 1281 | R | 42.2 | Very low | 54.9 | Low | 202 Ų | 202 | 69.8 Ų | 69.8 | 76% | 0.762 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -16.4 | -169.5 | -72.3 | -169.8 | 175.2 | -168.4 | 0.2 | 115.5 | ||
| 1282 | L | 46.1 | Very low | 55.1 | Low | 25 Ų | 25 | 72.7 Ų | 72.7 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | trans | -113.4 | 112.4 | -170.8 | -62.2 | -167.6 | 0 | 0 | 0 | 114.8 | L1277 L1284 W1287 | L1277-L1282 HydrophobicContact CB-CD1 3.68Å; L1277-L1282 HydrophobicContact CD1-CD1 3.82Å; L1277-L1282 HydrophobicContact CD2-CD1 4.22Å; L1277-L1282 HydrophobicContact CG-CD1 4.1Å; L1282-L1284 HydrophobicContact CB-CD1 4.38Å; L1282-L1284 PolarHBondContact O-N 2.82Å; L1282-W1287 HydrophobicContact CD1-CE3 4.21Å; L1282-W1287 HydrophobicContact CD1-CH2 3.98Å; L1282-W1287 HydrophobicContact CD1-CZ3 3.68Å; L1282-W1287 HydrophobicContact CD2-CD2 4.44Å; L1282-W1287 HydrophobicContact CD2-CE3 4.37Å; L1282-W1287 HydrophobicContact CD2-CH2 3.31Å; L1282-W1287 HydrophobicContact CD2-CZ2 3.37Å; L1282-W1287 HydrophobicContact CD2-CZ3 3.84Å; L1282-W1287 HydrophobicContact CG-CH2 4.32Å; L1282-W1287 HydrophobicContact CG-CZ3 4.45Å | ||
| 1283 | R | 49.9 | Very low | 55.2 | Low | 168 Ų | 168 | 69.6 Ų | 69.6 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | trans | -74.6 | 93.2 | 143.7 | -77 | 173.9 | 168.2 | 178.2 | -1.6 | 107.9 | S1285 E1286 | R1283-S1285 PolarHBondContact O-N 3.23Å; R1283-S1285 VanDerWaalsContact O-N 3.08Å; R1283-E1286 HydrophobicContact CB-CB 4.24Å; R1283-E1286 HydrophobicContact CB-CG 3.81Å; R1283-E1286 WeakPolarHBondContact CD-OE1 3.33Å; R1283-E1286 IonicContact CZ-OE1 3.05Å; R1283-E1286 IonicContact NE-OE1 3.72Å; R1283-E1286 IonicContact NH1-OE1 2.81Å; R1283-E1286 PolarHBondContact NH1-OE1 2.94Å; R1283-E1286 PolarHBondContact O-N 3.3Å | ||
| 1284 | L | 51.4 | Low | 55.2 | Low | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -54.3 | -28.5 | 171.9 | -95.7 | 112.5 | 0 | 0 | 0 | 112.4 | F1258 L1274 L1282 E1286 W1287 I1288 L1293 F1328 | F1258-L1284 HydrophobicContact CE1-CD2 3.68Å; F1258-L1284 HydrophobicContact CZ-CD2 3.87Å; L1274-L1284 HydrophobicContact CD2-CD1 3.93Å; L1274-L1284 HydrophobicContact CD2-CD2 4.05Å; L1282-L1284 HydrophobicContact CB-CD1 4.38Å; L1282-L1284 PolarHBondContact O-N 2.82Å; L1284-E1286 PolarHBondContact O-N 3.06Å; L1284-W1287 PolarHBondContact O-N 3.15Å; L1284-I1288 PolarHBondContact O-N 2.84Å; L1284-I1288 VanDerWaalsContact O-O 3.08Å; L1284-L1293 HydrophobicContact CB-CD1 4.38Å; L1284-L1293 HydrophobicContact CD2-CD1 4.17Å; L1284-F1328 HydrophobicContact CD1-CB 3.76Å; L1284-F1328 HydrophobicContact CD1-CD1 3.46Å; L1284-F1328 VanDerWaalsContact CD1-CD1 3.46Å; L1284-F1328 HydrophobicContact CD1-CD2 4.45Å; L1284-F1328 HydrophobicContact CD1-CE1 4.25Å; L1284-F1328 HydrophobicContact CD1-CG 3.61Å |
| 1285 | S | 49.1 | Very low | 55.4 | Low | 69 Ų | 69 | 76.3 Ų | 76.3 | 48% | 0.483 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -64.9 | -11.5 | 173.9 | 51.9 | 0 | 0 | 0 | 0 | 115.8 | R1283 I1288 | R1283-S1285 PolarHBondContact O-N 3.23Å; R1283-S1285 VanDerWaalsContact O-N 3.08Å; S1285-I1288 WeakPolarHBondContact CA-O 3.47Å |
| 1286 | E | 52.2 | Low | 55.8 | Low | 125 Ų | 125 | 73.4 Ų | 73.4 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -91.6 | -11.4 | 171.1 | -69.8 | 176.6 | 168.3 | 0 | 0 | 112.5 | R1283 L1284 | R1283-E1286 HydrophobicContact CB-CB 4.24Å; R1283-E1286 HydrophobicContact CB-CG 3.81Å; R1283-E1286 WeakPolarHBondContact CD-OE1 3.33Å; R1283-E1286 IonicContact CZ-OE1 3.05Å; R1283-E1286 IonicContact NE-OE1 3.72Å; R1283-E1286 IonicContact NH1-OE1 2.81Å; R1283-E1286 PolarHBondContact NH1-OE1 2.94Å; R1283-E1286 PolarHBondContact O-N 3.3Å; L1284-E1286 PolarHBondContact O-N 3.06Å |
| 1287 | W | 55.3 | Low | 56 | Low | 44 Ų | 44 | 69.9 Ų | 69.9 | 17% | 0.167 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -37.6 | -175.1 | -67.9 | 9 | 0 | 0 | 0 | 112.5 | I1254 C1255 L1277 L1282 L1284 | I1254-W1287 HydrophobicContact CB-CH2 4.12Å; I1254-W1287 HydrophobicContact CG2-CH2 3.42Å; I1254-W1287 VanDerWaalsContact CG2-CH2 3.42Å; I1254-W1287 HydrophobicContact CG2-CZ2 4.4Å; I1254-W1287 HydrophobicContact CG2-CZ3 3.66Å; C1255-W1287 VanDerWaalsContact SG-CD2 3.56Å; L1277-W1287 HydrophobicContact CD1-CZ3 4.49Å; L1282-W1287 HydrophobicContact CD1-CE3 4.21Å; L1282-W1287 HydrophobicContact CD1-CH2 3.98Å; L1282-W1287 HydrophobicContact CD1-CZ3 3.68Å; L1282-W1287 HydrophobicContact CD2-CD2 4.44Å; L1282-W1287 HydrophobicContact CD2-CE3 4.37Å; L1282-W1287 HydrophobicContact CD2-CH2 3.31Å; L1282-W1287 HydrophobicContact CD2-CZ2 3.37Å; L1282-W1287 HydrophobicContact CD2-CZ3 3.84Å; L1282-W1287 HydrophobicContact CG-CH2 4.32Å; L1282-W1287 HydrophobicContact CG-CZ3 4.45Å; L1284-W1287 PolarHBondContact O-N 3.15Å |
| 1288 | I | 58.2 | Low | 56.2 | Low | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.046 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -137.8 | 138.4 | -179.6 | -80.4 | -176.9 | 0 | 0 | 0 | 108.2 | F1258 I1259 V1262 L1284 S1285 I1292 L1293 | F1258-I1288 HydrophobicContact CD1-CD1 3.84Å; F1258-I1288 HydrophobicContact CE1-CD1 3.97Å; I1259-I1288 HydrophobicContact CG1-CD1 3.9Å; I1259-I1288 HydrophobicContact CG1-CG1 3.82Å; V1262-I1288 HydrophobicContact CG2-CD1 4.15Å; L1284-I1288 PolarHBondContact O-N 2.84Å; L1284-I1288 VanDerWaalsContact O-O 3.08Å; S1285-I1288 WeakPolarHBondContact CA-O 3.47Å; I1288-I1292 HydrophobicContact CG2-CB 3.79Å; I1288-I1292 HydrophobicContact CG2-CG2 3.74Å; I1288-L1293 HydrophobicContact CG2-CD1 4.11Å; I1288-L1293 HydrophobicContact CG2-CG 3.87Å |
| 1289 | S | 65.6 | Low | 56.9 | Low | 54 Ų | 54 | 73 Ų | 73 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | trans | -67.5 | 146.8 | 176.2 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | S1291 I1292 L1293 | S1289-S1291 PolarHBondContact O-N 2.83Å; S1289-S1291 VanDerWaalsContact O-N 3.07Å; S1289-S1291 PolarHBondContact OG-OG 3.44Å; S1289-I1292 PolarHBondContact O-N 2.71Å; S1289-I1292 WeakPolarHBondContact OG-CD1 3.25Å; S1289-I1292 WeakPolarHBondContact OG-CG1 3.5Å; S1289-I1292 PolarHBondContact OG-N 3.28Å; S1289-L1293 PolarHBondContact O-N 3.21Å | ||
| 1290 | E | 63.4 | Low | 57.6 | Low | 60 Ų | 60 | 72.1 Ų | 72.1 | 28% | 0.28 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -50.6 | -37.1 | 174.9 | -64.7 | -173.1 | 157.4 | 0 | 0 | 112.2 | I1292 L1293 E1294 T1332 V1333 R1336 | E1290-I1292 VanDerWaalsContact C-N 3.35Å; E1290-I1292 PolarHBondContact O-N 3.4Å; E1290-L1293 PolarHBondContact O-N 3.21Å; E1290-E1294 WeakPolarHBondContact O-CB 3.47Å; E1290-E1294 PolarHBondContact O-N 3.44Å; E1290-T1332 VanDerWaalsContact CD-OG1 3.24Å; E1290-T1332 VanDerWaalsContact OE1-CB 3.32Å; E1290-T1332 WeakPolarHBondContact OE1-CB 3.4Å; E1290-T1332 PolarHBondContact OE1-OG1 3.15Å; E1290-V1333 HydrophobicContact CB-CG2 3.85Å; E1290-V1333 HydrophobicContact CG-CG2 4.19Å; E1290-R1336 IonicContact OE2-CZ 3.55Å; E1290-R1336 VanDerWaalsContact OE2-CZ 3.29Å; E1290-R1336 IonicContact OE2-NH1 3.94Å; E1290-R1336 PolarHBondContact OE2-NH1 3.45Å; E1290-R1336 IonicContact OE2-NH2 3.32Å; E1290-R1336 PolarHBondContact OE2-NH2 2.79Å |
| 1291 | S | 62.5 | Low | 58.1 | Low | 73 Ų | 73 | 66.2 Ų | 66.2 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -31 | 179.2 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | S1289 H1295 | S1289-S1291 PolarHBondContact O-N 2.83Å; S1289-S1291 VanDerWaalsContact O-N 3.07Å; S1289-S1291 PolarHBondContact OG-OG 3.44Å; S1291-H1295 VanDerWaalsContact O-CB 3.22Å; S1291-H1295 WeakPolarHBondContact O-CB 3.29Å; S1291-H1295 PolarHBondContact O-N 3.24Å |
| 1292 | I | 63 | Low | 58.5 | Low | 88 Ų | 88 | 59 Ų | 59 | 45% | 0.451 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -76.3 | -43 | 177.5 | -72.6 | 167.2 | 0 | 0 | 0 | 109.8 | I1288 S1289 E1290 H1295 W1296 | I1288-I1292 HydrophobicContact CG2-CB 3.79Å; I1288-I1292 HydrophobicContact CG2-CG2 3.74Å; S1289-I1292 PolarHBondContact O-N 2.71Å; S1289-I1292 WeakPolarHBondContact OG-CD1 3.25Å; S1289-I1292 WeakPolarHBondContact OG-CG1 3.5Å; S1289-I1292 PolarHBondContact OG-N 3.28Å; E1290-I1292 VanDerWaalsContact C-N 3.35Å; E1290-I1292 PolarHBondContact O-N 3.4Å; I1292-H1295 PolarHBondContact O-N 2.88Å; I1292-W1296 VanDerWaalsContact O-CB 3.25Å; I1292-W1296 WeakPolarHBondContact O-CB 3.46Å; I1292-W1296 PolarHBondContact O-N 3.26Å |
| 1293 | L | 64.1 | Low | 58.5 | Low | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.063 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 172.2 | -83.9 | 159.7 | 0 | 0 | 0 | 111.6 | L1284 I1288 S1289 E1290 W1296 F1297 L1330 | L1284-L1293 HydrophobicContact CB-CD1 4.38Å; L1284-L1293 HydrophobicContact CD2-CD1 4.17Å; I1288-L1293 HydrophobicContact CG2-CD1 4.11Å; I1288-L1293 HydrophobicContact CG2-CG 3.87Å; S1289-L1293 PolarHBondContact O-N 3.21Å; E1290-L1293 PolarHBondContact O-N 3.21Å; L1293-W1296 PolarHBondContact O-N 3.42Å; L1293-F1297 WeakPolarHBondContact O-CB 3.49Å; L1293-F1297 PolarHBondContact O-N 2.83Å; L1293-L1330 HydrophobicContact CD1-CD1 3.97Å; L1293-L1330 HydrophobicContact CD1-CD2 3.94Å |
| 1294 | E | 63.8 | Low | 58.2 | Low | 27 Ų | 27 | 59.5 Ų | 59.5 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 176.4 | -176.3 | 174 | 171.3 | 0 | 0 | 111.5 | E1290 W1296 F1297 I1298 V1333 R1336 Q1340 | E1290-E1294 WeakPolarHBondContact O-CB 3.47Å; E1290-E1294 PolarHBondContact O-N 3.44Å; E1294-W1296 PolarHBondContact O-N 2.85Å; E1294-F1297 PolarHBondContact O-N 3.43Å; E1294-I1298 HydrophobicContact CG-CD1 3.8Å; E1294-I1298 WeakPolarHBondContact O-CB 3.48Å; E1294-I1298 WeakPolarHBondContact O-CD1 3.24Å; E1294-I1298 WeakPolarHBondContact O-CG1 3.43Å; E1294-I1298 PolarHBondContact O-N 3.13Å; E1294-V1333 HydrophobicContact CB-CG1 4.34Å; E1294-R1336 WeakPolarHBondContact OE1-CD 3.46Å; E1294-R1336 WeakPolarHBondContact OE2-CD 3.2Å; E1294-R1336 IonicContact OE2-CZ 3.78Å; E1294-R1336 IonicContact OE2-NE 3.58Å; E1294-R1336 IonicContact OE2-NH1 2.82Å; E1294-R1336 PolarHBondContact OE2-NH1 2.95Å; E1294-Q1340 PolarHBondContact OE1-NE2 3.24Å |
| 1295 | H | 64.6 | Low | 57.7 | Low | 139 Ų | 139 | 62.5 Ų | 62.5 | 64% | 0.644 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.7 | -34 | 179.7 | -163.4 | -74.3 | 0 | 0 | 0 | 113 | S1291 I1292 S1299 | S1291-H1295 VanDerWaalsContact O-CB 3.22Å; S1291-H1295 WeakPolarHBondContact O-CB 3.29Å; S1291-H1295 PolarHBondContact O-N 3.24Å; I1292-H1295 PolarHBondContact O-N 2.88Å; H1295-S1299 WeakPolarHBondContact O-CB 3.5Å; H1295-S1299 PolarHBondContact O-N 3Å |
| 1296 | W | 67.5 | Low | 57 | Low | 44 Ų | 44 | 65.4 Ų | 65.4 | 17% | 0.167 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 173.6 | -174.8 | 95.1 | 0 | 0 | 0 | 111.3 | V1262 V1267 V1270 I1292 L1293 E1294 I1298 S1299 Y1300 | V1262-W1296 VanDerWaalsContact CG1-CD1 3.47Å; V1262-W1296 HydrophobicContact CG1-CD2 4.39Å; V1262-W1296 HydrophobicContact CG1-CG 3.96Å; V1262-W1296 PolarHBondContact O-NE1 3.44Å; V1267-W1296 HydrophobicContact CB-CH2 4.42Å; V1267-W1296 HydrophobicContact CG1-CH2 4.28Å; V1267-W1296 HydrophobicContact CG2-CH2 3.74Å; V1267-W1296 HydrophobicContact CG2-CZ2 3.86Å; V1270-W1296 HydrophobicContact CB-CH2 4.27Å; V1270-W1296 HydrophobicContact CB-CZ2 4.28Å; V1270-W1296 HydrophobicContact CG1-CH2 4.04Å; V1270-W1296 HydrophobicContact CG1-CZ2 4.27Å; V1270-W1296 HydrophobicContact CG2-CH2 4.4Å; V1270-W1296 HydrophobicContact CG2-CZ2 3.91Å; I1292-W1296 VanDerWaalsContact O-CB 3.25Å; I1292-W1296 WeakPolarHBondContact O-CB 3.46Å; I1292-W1296 PolarHBondContact O-N 3.26Å; L1293-W1296 PolarHBondContact O-N 3.42Å; E1294-W1296 PolarHBondContact O-N 2.85Å; W1296-I1298 PolarHBondContact O-N 2.9Å; W1296-S1299 PolarHBondContact O-N 3.23Å; W1296-Y1300 WeakPolarHBondContact O-CB 3.36Å; W1296-Y1300 PolarHBondContact O-N 2.96Å |
| 1297 | F | 61.9 | Low | 56.1 | Low | 15 Ų | 15 | 65.3 Ų | 65.3 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 176.5 | -103 | -87.9 | 0 | 0 | 0 | 112.6 | L1293 E1294 Y1300 L1301 Y1321 L1325 I1337 | L1293-F1297 WeakPolarHBondContact O-CB 3.49Å; L1293-F1297 PolarHBondContact O-N 2.83Å; E1294-F1297 PolarHBondContact O-N 3.43Å; F1297-Y1300 PolarHBondContact O-N 2.87Å; F1297-L1301 HydrophobicContact CD1-CD1 4.45Å; F1297-L1301 WeakPolarHBondContact O-CB 3.39Å; F1297-L1301 VanDerWaalsContact O-CG 3.29Å; F1297-L1301 WeakPolarHBondContact O-CG 3.18Å; F1297-L1301 PolarHBondContact O-N 3.32Å; F1297-Y1321 AromaticContact CE1-CD1 3.91Å; F1297-Y1321 HydrophobicContact CE1-CD1 3.91Å; F1297-Y1321 HydrophobicContact CE1-CG 4.45Å; F1297-Y1321 HydrophobicContact CZ-CD1 4.08Å; F1297-L1325 HydrophobicContact CD1-CD1 4.48Å; F1297-L1325 HydrophobicContact CD2-CD2 4.44Å; F1297-L1325 HydrophobicContact CE1-CD1 4.03Å; F1297-L1325 HydrophobicContact CE2-CD1 4.17Å; F1297-L1325 HydrophobicContact CE2-CD2 3.76Å; F1297-L1325 HydrophobicContact CE2-CG 4.21Å; F1297-L1325 HydrophobicContact CZ-CD1 3.85Å; F1297-L1325 HydrophobicContact CZ-CD2 4.05Å; F1297-L1325 HydrophobicContact CZ-CG 3.99Å; F1297-I1337 HydrophobicContact CB-CD1 3.65Å; F1297-I1337 HydrophobicContact CB-CG1 4.47Å; F1297-I1337 HydrophobicContact CD1-CD1 4.06Å; F1297-I1337 HydrophobicContact CD2-CD1 4.47Å; F1297-I1337 HydrophobicContact CG-CD1 3.81Å |
| 1298 | I | 61.3 | Low | 55.1 | Low | 70 Ų | 70 | 67.2 Ų | 67.2 | 36% | 0.359 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 177.1 | -66.7 | 162.1 | 0 | 0 | 0 | 110.7 | E1294 W1296 Y1300 L1301 G1302 | E1294-I1298 HydrophobicContact CG-CD1 3.8Å; E1294-I1298 WeakPolarHBondContact O-CB 3.48Å; E1294-I1298 WeakPolarHBondContact O-CD1 3.24Å; E1294-I1298 WeakPolarHBondContact O-CG1 3.43Å; E1294-I1298 PolarHBondContact O-N 3.13Å; W1296-I1298 PolarHBondContact O-N 2.9Å; I1298-Y1300 VanDerWaalsContact C-N 3.29Å; I1298-Y1300 PolarHBondContact O-N 3.08Å; I1298-L1301 PolarHBondContact O-N 3.29Å; I1298-G1302 PolarHBondContact O-N 3.26Å |
| 1299 | S | 61.3 | Low | 53.8 | Low | 61 Ų | 61 | 72.2 Ų | 72.2 | 43% | 0.427 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 177.3 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | H1295 W1296 K1303 | H1295-S1299 WeakPolarHBondContact O-CB 3.5Å; H1295-S1299 PolarHBondContact O-N 3Å; W1296-S1299 PolarHBondContact O-N 3.23Å; S1299-K1303 PolarHBondContact O-N 3.4Å |
| 1300 | Y | 61 | Low | 52.4 | Low | 64 Ų | 64 | 76 Ų | 76 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.6 | -47.5 | 173.5 | -171.8 | -115.3 | 0 | 0 | 0 | 112.3 | V1267 W1296 F1297 I1298 G1302 K1303 F1304 | V1267-Y1300 HydrophobicContact CB-CE2 4.35Å; V1267-Y1300 HydrophobicContact CG1-CE1 4.24Å; V1267-Y1300 HydrophobicContact CG2-CD1 4.39Å; V1267-Y1300 HydrophobicContact CG2-CD2 3.75Å; V1267-Y1300 HydrophobicContact CG2-CE1 4.06Å; V1267-Y1300 HydrophobicContact CG2-CE2 3.39Å; V1267-Y1300 HydrophobicContact CG2-CG 4.24Å; W1296-Y1300 WeakPolarHBondContact O-CB 3.36Å; W1296-Y1300 PolarHBondContact O-N 2.96Å; F1297-Y1300 PolarHBondContact O-N 2.87Å; I1298-Y1300 VanDerWaalsContact C-N 3.29Å; I1298-Y1300 PolarHBondContact O-N 3.08Å; Y1300-G1302 VanDerWaalsContact C-N 3.29Å; Y1300-G1302 PolarHBondContact O-N 3.44Å; Y1300-K1303 CarbonylContact O-C 3.6Å; Y1300-K1303 WeakPolarHBondContact O-CA 3.27Å; Y1300-K1303 WeakPolarHBondContact O-CB 3.4Å; Y1300-K1303 PolarHBondContact O-N 3.04Å; Y1300-F1304 HydrophobicContact CD1-CD2 4.3Å; Y1300-F1304 AromaticContact CE1-CD2 3.52Å; Y1300-F1304 HydrophobicContact CE1-CD2 3.52Å; Y1300-F1304 AromaticContact CE1-CE2 3.86Å; Y1300-F1304 HydrophobicContact CE1-CE2 3.86Å; Y1300-F1304 HydrophobicContact CE1-CG 4.47Å; Y1300-F1304 HydrophobicContact CE2-CD2 4.37Å; Y1300-F1304 AromaticContact CZ-CD2 3.57Å; Y1300-F1304 AromaticContact CZ-CE2 3.82Å; Y1300-F1304 PolarHBondContact O-N 3.42Å; Y1300-F1304 WeakPolarHBondContact OH-CE2 3.32Å |
| 1301 | L | 55.6 | Low | 50.7 | Low | 39 Ų | 39 | 76 Ų | 76 | 20% | 0.204 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.6 | -36 | 178.4 | -74.7 | 163.9 | 0 | 0 | 0 | 112.3 | F1297 I1298 K1303 F1304 A1305 F1318 I1337 | F1297-L1301 HydrophobicContact CD1-CD1 4.45Å; F1297-L1301 WeakPolarHBondContact O-CB 3.39Å; F1297-L1301 VanDerWaalsContact O-CG 3.29Å; F1297-L1301 WeakPolarHBondContact O-CG 3.18Å; F1297-L1301 PolarHBondContact O-N 3.32Å; I1298-L1301 PolarHBondContact O-N 3.29Å; L1301-K1303 VanDerWaalsContact C-N 3.27Å; L1301-K1303 PolarHBondContact O-N 3.29Å; L1301-F1304 PolarHBondContact O-N 3.43Å; L1301-A1305 PolarHBondContact O-N 2.66Å; L1301-F1318 HydrophobicContact CD1-CE2 4.44Å; L1301-F1318 HydrophobicContact CD2-CD2 4.28Å; L1301-F1318 HydrophobicContact CD2-CE2 4.07Å; L1301-I1337 HydrophobicContact CD1-CG2 3.97Å |
| 1302 | G | 51.3 | Low | 49.1 | Very low | 51 Ų | 51 | 78.1 Ų | 78.1 | 53% | 0.526 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.3 | -29.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1298 Y1300 | I1298-G1302 PolarHBondContact O-N 3.26Å; Y1300-G1302 VanDerWaalsContact C-N 3.29Å; Y1300-G1302 PolarHBondContact O-N 3.44Å |
| 1303 | K | 45.5 | Very low | 47.5 | Very low | 144 Ų | 144 | 80.6 Ų | 80.6 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -82.8 | -36.7 | 171.4 | -67 | 176 | -178.8 | -179.8 | 0 | 112 | S1299 Y1300 L1301 A1305 L1306 F1307 | S1299-K1303 PolarHBondContact O-N 3.4Å; Y1300-K1303 CarbonylContact O-C 3.6Å; Y1300-K1303 WeakPolarHBondContact O-CA 3.27Å; Y1300-K1303 WeakPolarHBondContact O-CB 3.4Å; Y1300-K1303 PolarHBondContact O-N 3.04Å; L1301-K1303 VanDerWaalsContact C-N 3.27Å; L1301-K1303 PolarHBondContact O-N 3.29Å; K1303-A1305 VanDerWaalsContact C-N 3.31Å; K1303-A1305 PolarHBondContact O-N 2.92Å; K1303-L1306 WeakPolarHBondContact O-CB 3.5Å; K1303-L1306 PolarHBondContact O-N 3.15Å; K1303-L1306 VanDerWaalsContact O-N 3.13Å; K1303-F1307 PolarHBondContact O-N 3.19Å; K1303-F1307 VanDerWaalsContact O-N 3.11Å |
| 1304 | F | 43.7 | Very low | 45.9 | Very low | 58 Ų | 58 | 87.8 Ų | 87.8 | 25% | 0.254 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 179.7 | -142.8 | -94.5 | 0 | 0 | 0 | 112 | Y1300 L1301 L1306 F1307 C1308 | Y1300-F1304 HydrophobicContact CD1-CD2 4.3Å; Y1300-F1304 AromaticContact CE1-CD2 3.52Å; Y1300-F1304 HydrophobicContact CE1-CD2 3.52Å; Y1300-F1304 AromaticContact CE1-CE2 3.86Å; Y1300-F1304 HydrophobicContact CE1-CE2 3.86Å; Y1300-F1304 HydrophobicContact CE1-CG 4.47Å; Y1300-F1304 HydrophobicContact CE2-CD2 4.37Å; Y1300-F1304 AromaticContact CZ-CD2 3.57Å; Y1300-F1304 AromaticContact CZ-CE2 3.82Å; Y1300-F1304 PolarHBondContact O-N 3.42Å; Y1300-F1304 WeakPolarHBondContact OH-CE2 3.32Å; L1301-F1304 PolarHBondContact O-N 3.43Å; F1304-L1306 VanDerWaalsContact C-N 3.27Å; F1304-L1306 PolarHBondContact O-N 3.19Å; F1304-F1307 PolarHBondContact O-N 3.28Å; F1304-C1308 VanDerWaalsContact CD1-SG 3.5Å; F1304-C1308 VanDerWaalsContact CE1-SG 3.52Å; F1304-C1308 PolarHBondContact O-N 2.83Å |
| 1305 | A | 40.3 | Very low | 44.6 | Very low | 67 Ų | 67 | 95.8 Ų | 95.8 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -30.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1301 K1303 | L1301-A1305 PolarHBondContact O-N 2.66Å; K1303-A1305 VanDerWaalsContact C-N 3.31Å; K1303-A1305 PolarHBondContact O-N 2.92Å |
| 1306 | L | 36.2 | Very low | 43.6 | Very low | 130 Ų | 130 | 93.2 Ų | 93.2 | 68% | 0.681 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -77.2 | -34.9 | 170.3 | -111.8 | 72.6 | 0 | 0 | 0 | 112.1 | K1303 F1304 | K1303-L1306 WeakPolarHBondContact O-CB 3.5Å; K1303-L1306 PolarHBondContact O-N 3.15Å; K1303-L1306 VanDerWaalsContact O-N 3.13Å; F1304-L1306 VanDerWaalsContact C-N 3.27Å; F1304-L1306 PolarHBondContact O-N 3.19Å |
| 1307 | F | 31.9 | Very low | 42.7 | Very low | 123 Ų | 123 | 93.4 Ų | 93.4 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.8 | -35.6 | -171.3 | -146.2 | -95.6 | 0 | 0 | 0 | 113.5 | K1303 F1304 C1309 I1310 V1311 | K1303-F1307 PolarHBondContact O-N 3.19Å; K1303-F1307 VanDerWaalsContact O-N 3.11Å; F1304-F1307 PolarHBondContact O-N 3.28Å; F1307-C1309 PolarHBondContact O-N 2.95Å; F1307-C1309 VanDerWaalsContact O-N 3.16Å; F1307-I1310 PolarHBondContact O-N 3.26Å; F1307-V1311 HydrophobicContact CD1-CG2 4.34Å; F1307-V1311 HydrophobicContact CE1-CB 4.2Å; F1307-V1311 HydrophobicContact CE1-CG2 3.8Å; F1307-V1311 HydrophobicContact CZ-CG2 4.2Å; F1307-V1311 PolarHBondContact O-N 3.49Å |
| 1308 | C | 34 | Very low | 42.2 | Very low | 84 Ų | 84 | 97.4 Ų | 97.4 | 57% | 0.568 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18 | 176.4 | -77.2 | 0 | 0 | 0 | 0 | 114.2 | F1304 I1310 | F1304-C1308 VanDerWaalsContact CD1-SG 3.5Å; F1304-C1308 VanDerWaalsContact CE1-SG 3.52Å; F1304-C1308 PolarHBondContact O-N 2.83Å; C1308-I1310 VanDerWaalsContact C-N 3.31Å |
| 1309 | C | 31.9 | Very low | 41.7 | Very low | 113 Ų | 113 | 96.7 Ų | 96.7 | 76% | 0.764 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.7 | 174.7 | -64 | 0 | 0 | 0 | 0 | 113.6 | F1307 | F1307-C1309 PolarHBondContact O-N 2.95Å; F1307-C1309 VanDerWaalsContact O-N 3.16Å |
| 1310 | I | 34.9 | Very low | 41.4 | Very low | 133 Ų | 133 | 98.9 Ų | 98.9 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | -28.7 | -166 | -57.9 | 177.3 | 0 | 0 | 0 | 112.8 | F1307 C1308 | F1307-I1310 PolarHBondContact O-N 3.26Å; C1308-I1310 VanDerWaalsContact C-N 3.31Å |
| 1311 | V | 28.3 | Very low | 41.4 | Very low | 61 Ų | 61 | 97.2 Ų | 97.2 | 37% | 0.37 | 53% | 0.532 | S | S | . | . | trans | -131.8 | 114.3 | -174.5 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | F1307 N1313 | F1307-V1311 HydrophobicContact CD1-CG2 4.34Å; F1307-V1311 HydrophobicContact CE1-CB 4.2Å; F1307-V1311 HydrophobicContact CE1-CG2 3.8Å; F1307-V1311 HydrophobicContact CZ-CG2 4.2Å; F1307-V1311 PolarHBondContact O-N 3.49Å; V1311-N1313 PolarHBondContact O-N 3.43Å | ||
| 1312 | S | 29.3 | Very low | 41.6 | Very low | 118 Ų | 118 | 96.9 Ų | 96.9 | 83% | 0.825 | 53% | 0.53 | S | S | * | . | trans | -82.6 | -2.5 | -175.7 | 45.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1313 | N | 29.8 | Very low | 41.9 | Very low | 140 Ų | 140 | 97.9 Ų | 97.9 | 75% | 0.749 | 52% | 0.521 | S | S | * | . | trans | -109.7 | 20.4 | -163.2 | -78.9 | -15.4 | 0 | 0 | 0 | 116.4 | V1311 | V1311-N1313 PolarHBondContact O-N 3.43Š| ||
| 1314 | F | 30.8 | Very low | 42.6 | Very low | 163 Ų | 163 | 92.2 Ų | 92.2 | 72% | 0.715 | 50% | 0.497 | S | S | * | . | trans | -121.8 | 115.1 | 176.5 | -90 | -88.5 | 0 | 0 | 0 | 113.1 | ||||
| 1315 | Q | 36.5 | Very low | 43.5 | Very low | 194 Ų | 194 | 89.8 Ų | 89.8 | 91% | 0.907 | 49% | 0.487 | S | S | * | . | trans | -95.4 | 10.3 | -166.5 | -145.3 | 176.1 | 16.1 | 0 | 0 | 115 | S1317 | Q1315-S1317 PolarHBondContact O-N 3.29Š| ||
| 1316 | I | 43 | Very low | 44.5 | Very low | 85 Ų | 85 | 87.8 Ų | 87.8 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | trans | -77.7 | 90.4 | 179.2 | -52.8 | 179 | 0 | 0 | 0 | 109.6 | H1320 Y1321 | I1316-H1320 HydrophobicContact CG2-CB 4.12Å; I1316-Y1321 HydrophobicContact CB-CE2 4.49Å; I1316-Y1321 HydrophobicContact CG2-CD2 4.14Å; I1316-Y1321 HydrophobicContact CG2-CE2 3.62Å | ||
| 1317 | S | 48.3 | Very low | 45.6 | Very low | 49 Ų | 49 | 88 Ų | 88 | 34% | 0.343 | 46% | 0.461 | S | S | . | . | trans | -60.8 | 152.1 | 177.7 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | Q1315 S1319 H1320 | Q1315-S1317 PolarHBondContact O-N 3.29Å; S1317-S1319 PolarHBondContact O-N 2.84Å; S1317-S1319 PolarHBondContact OG-OG 2.9Å; S1317-H1320 WeakPolarHBondContact O-CB 3.32Å; S1317-H1320 PolarHBondContact O-N 3.17Å; S1317-H1320 PolarHBondContact OG-ND1 3.25Å | ||
| 1318 | F | 51.9 | Low | 46.7 | Very low | 99 Ų | 99 | 83 Ų | 83 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -53.9 | -27.4 | 173.5 | -176 | -100.7 | 0 | 0 | 0 | 113.1 | L1301 H1320 Y1321 I1322 I1337 | L1301-F1318 HydrophobicContact CD1-CE2 4.44Å; L1301-F1318 HydrophobicContact CD2-CD2 4.28Å; L1301-F1318 HydrophobicContact CD2-CE2 4.07Å; F1318-H1320 VanDerWaalsContact C-N 3.35Å; F1318-H1320 PolarHBondContact O-N 3.48Å; F1318-Y1321 PolarHBondContact O-N 2.97Å; F1318-I1322 HydrophobicContact CD1-CG1 3.99Å; F1318-I1322 HydrophobicContact CE1-CD1 3.94Å; F1318-I1322 HydrophobicContact CE1-CG1 3.68Å; F1318-I1322 HydrophobicContact CZ-CD1 4.04Å; F1318-I1322 HydrophobicContact CZ-CG1 4.2Å; F1318-I1322 PolarHBondContact O-N 3.48Å; F1318-I1322 VanDerWaalsContact O-N 3.12Å; F1318-I1337 HydrophobicContact CZ-CG2 4.41Å |
| 1319 | S | 50.7 | Low | 47.9 | Very low | 55 Ų | 55 | 87.3 Ų | 87.3 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 174.6 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | S1317 Y1321 I1322 E1323 | S1317-S1319 PolarHBondContact O-N 2.84Å; S1317-S1319 PolarHBondContact OG-OG 2.9Å; S1319-Y1321 VanDerWaalsContact C-N 3.32Å; S1319-Y1321 PolarHBondContact O-N 3.39Å; S1319-I1322 PolarHBondContact O-N 3.24Å; S1319-E1323 WeakPolarHBondContact O-CB 3.49Å; S1319-E1323 PolarHBondContact O-N 2.97Å |
| 1320 | H | 54.5 | Low | 49.3 | Very low | 107 Ų | 107 | 82.3 Ų | 82.3 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 176.7 | -76.1 | 100.1 | 0 | 0 | 0 | 112 | I1316 S1317 F1318 E1323 L1324 | I1316-H1320 HydrophobicContact CG2-CB 4.12Å; S1317-H1320 WeakPolarHBondContact O-CB 3.32Å; S1317-H1320 PolarHBondContact O-N 3.17Å; S1317-H1320 PolarHBondContact OG-ND1 3.25Å; F1318-H1320 VanDerWaalsContact C-N 3.35Å; F1318-H1320 PolarHBondContact O-N 3.48Å; H1320-E1323 PolarHBondContact O-N 3Å; H1320-L1324 WeakPolarHBondContact O-CB 3.34Å; H1320-L1324 PolarHBondContact O-N 2.94Å |
| 1321 | Y | 60.2 | Low | 50.5 | Low | 29 Ų | 29 | 81.4 Ų | 81.4 | 11% | 0.114 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 175 | -76.5 | -79.9 | 0 | 0 | 0 | 112.6 | V1267 F1297 I1316 F1318 S1319 E1323 L1324 L1325 | V1267-Y1321 HydrophobicContact CG1-CE1 4.15Å; F1297-Y1321 AromaticContact CE1-CD1 3.91Å; F1297-Y1321 HydrophobicContact CE1-CD1 3.91Å; F1297-Y1321 HydrophobicContact CE1-CG 4.45Å; F1297-Y1321 HydrophobicContact CZ-CD1 4.08Å; I1316-Y1321 HydrophobicContact CB-CE2 4.49Å; I1316-Y1321 HydrophobicContact CG2-CD2 4.14Å; I1316-Y1321 HydrophobicContact CG2-CE2 3.62Å; F1318-Y1321 PolarHBondContact O-N 2.97Å; S1319-Y1321 VanDerWaalsContact C-N 3.32Å; S1319-Y1321 PolarHBondContact O-N 3.39Å; Y1321-E1323 VanDerWaalsContact C-N 3.29Å; Y1321-E1323 PolarHBondContact O-N 3.23Å; Y1321-L1324 PolarHBondContact O-N 2.87Å; Y1321-L1325 WeakPolarHBondContact O-CG 3.47Å; Y1321-L1325 PolarHBondContact O-N 3.1Å |
| 1322 | I | 60.9 | Low | 52.1 | Low | 32 Ų | 32 | 81.3 Ų | 81.3 | 16% | 0.164 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 172 | -65.6 | -64 | 0 | 0 | 0 | 110.7 | F1318 S1319 S1326 I1338 | F1318-I1322 HydrophobicContact CD1-CG1 3.99Å; F1318-I1322 HydrophobicContact CE1-CD1 3.94Å; F1318-I1322 HydrophobicContact CE1-CG1 3.68Å; F1318-I1322 HydrophobicContact CZ-CD1 4.04Å; F1318-I1322 HydrophobicContact CZ-CG1 4.2Å; F1318-I1322 PolarHBondContact O-N 3.48Å; F1318-I1322 VanDerWaalsContact O-N 3.12Å; S1319-I1322 PolarHBondContact O-N 3.24Å; I1322-S1326 WeakPolarHBondContact O-CB 3.39Å; I1322-S1326 PolarHBondContact O-N 2.77Å; I1322-S1326 PolarHBondContact O-OG 2.71Å; I1322-I1338 HydrophobicContact CD1-CD1 4.24Å; I1322-I1338 HydrophobicContact CD1-CG1 4.19Å |
| 1323 | E | 56.7 | Low | 53.7 | Low | 72 Ų | 72 | 75.7 Ų | 75.7 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 175.8 | -164.9 | -178.8 | 147.6 | 0 | 0 | 111.4 | S1319 H1320 Y1321 L1325 S1326 R1327 | S1319-E1323 WeakPolarHBondContact O-CB 3.49Å; S1319-E1323 PolarHBondContact O-N 2.97Å; H1320-E1323 PolarHBondContact O-N 3Å; Y1321-E1323 VanDerWaalsContact C-N 3.29Å; Y1321-E1323 PolarHBondContact O-N 3.23Å; E1323-L1325 PolarHBondContact O-N 3.01Å; E1323-S1326 PolarHBondContact O-N 3Å; E1323-S1326 VanDerWaalsContact O-N 3.14Å; E1323-S1326 PolarHBondContact O-OG 3.17Å; E1323-R1327 WeakPolarHBondContact O-CG 3.24Å; E1323-R1327 PolarHBondContact O-N 2.87Å; E1323-R1327 IonicContact OE1-CZ 2.98Å; E1323-R1327 IonicContact OE1-NE 2.75Å; E1323-R1327 PolarHBondContact OE1-NE 2.98Å; E1323-R1327 IonicContact OE1-NH2 2.81Å; E1323-R1327 PolarHBondContact OE1-NH2 3.46Å |
| 1324 | L | 60.7 | Low | 55.1 | Low | 24 Ų | 24 | 69.4 Ų | 69.4 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -49.9 | 176.1 | -159.3 | 79.4 | 0 | 0 | 0 | 111.1 | L1274 L1275 H1320 Y1321 S1326 R1327 F1328 | L1274-L1324 HydrophobicContact CD1-CD2 3.9Å; L1275-L1324 HydrophobicContact CD2-CD1 4.17Å; L1275-L1324 HydrophobicContact CG-CD1 4.42Å; H1320-L1324 WeakPolarHBondContact O-CB 3.34Å; H1320-L1324 PolarHBondContact O-N 2.94Å; Y1321-L1324 PolarHBondContact O-N 2.87Å; L1324-S1326 VanDerWaalsContact C-N 3.32Å; L1324-S1326 PolarHBondContact O-N 3.29Å; L1324-R1327 WeakPolarHBondContact O-CB 3.48Å; L1324-R1327 PolarHBondContact O-N 3.14Å; L1324-F1328 HydrophobicContact CD1-CE2 4.43Å; L1324-F1328 HydrophobicContact CG-CE2 4.15Å; L1324-F1328 WeakPolarHBondContact O-CD2 3.39Å; L1324-F1328 PolarHBondContact O-N 3.02Å |
| 1325 | L | 63.6 | Low | 56.3 | Low | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 177.1 | -72.2 | 169.6 | 0 | 0 | 0 | 112.9 | F1297 Y1321 E1323 F1328 R1329 L1330 C1334 I1337 | F1297-L1325 HydrophobicContact CD1-CD1 4.48Å; F1297-L1325 HydrophobicContact CD2-CD2 4.44Å; F1297-L1325 HydrophobicContact CE1-CD1 4.03Å; F1297-L1325 HydrophobicContact CE2-CD1 4.17Å; F1297-L1325 HydrophobicContact CE2-CD2 3.76Å; F1297-L1325 HydrophobicContact CE2-CG 4.21Å; F1297-L1325 HydrophobicContact CZ-CD1 3.85Å; F1297-L1325 HydrophobicContact CZ-CD2 4.05Å; F1297-L1325 HydrophobicContact CZ-CG 3.99Å; Y1321-L1325 WeakPolarHBondContact O-CG 3.47Å; Y1321-L1325 PolarHBondContact O-N 3.1Å; E1323-L1325 PolarHBondContact O-N 3.01Å; L1325-F1328 PolarHBondContact O-N 3.4Å; L1325-R1329 PolarHBondContact O-N 2.76Å; L1325-L1330 HydrophobicContact CD2-CB 4.3Å; L1325-L1330 HydrophobicContact CD2-CD1 3.68Å; L1325-L1330 PolarHBondContact O-N 2.93Å; L1325-L1330 VanDerWaalsContact O-N 3.16Å; L1325-C1334 WeakPolarHBondContact CB-SG 3.22Å; L1325-I1337 HydrophobicContact CD1-CD1 4.05Å |
| 1326 | S | 60.2 | Low | 57.6 | Low | 25 Ų | 25 | 59.3 Ų | 59.3 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.6 | -36.6 | 177.3 | 77.5 | 0 | 0 | 0 | 0 | 112.5 | I1322 E1323 L1324 F1328 R1329 | I1322-S1326 WeakPolarHBondContact O-CB 3.39Å; I1322-S1326 PolarHBondContact O-N 2.77Å; I1322-S1326 PolarHBondContact O-OG 2.71Å; E1323-S1326 PolarHBondContact O-N 3Å; E1323-S1326 VanDerWaalsContact O-N 3.14Å; E1323-S1326 PolarHBondContact O-OG 3.17Å; L1324-S1326 VanDerWaalsContact C-N 3.32Å; L1324-S1326 PolarHBondContact O-N 3.29Å; S1326-F1328 PolarHBondContact O-N 3.29Å; S1326-R1329 PolarHBondContact O-N 3.27Å |
| 1327 | R | 59.3 | Low | 58.3 | Low | 136 Ų | 136 | 55.3 Ų | 55.3 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.9 | -29.1 | 172.2 | -69.9 | 170.4 | -179.7 | -144.6 | 5 | 112.5 | E1323 L1324 | E1323-R1327 WeakPolarHBondContact O-CG 3.24Å; E1323-R1327 PolarHBondContact O-N 2.87Å; E1323-R1327 IonicContact OE1-CZ 2.98Å; E1323-R1327 IonicContact OE1-NE 2.75Å; E1323-R1327 PolarHBondContact OE1-NE 2.98Å; E1323-R1327 IonicContact OE1-NH2 2.81Å; E1323-R1327 PolarHBondContact OE1-NH2 3.46Å; L1324-R1327 WeakPolarHBondContact O-CB 3.48Å; L1324-R1327 PolarHBondContact O-N 3.14Å |
| 1328 | F | 56.4 | Low | 58.8 | Low | 16 Ų | 16 | 56.8 Ų | 56.8 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 12.6 | 173.9 | -64.8 | -67.2 | 0 | 0 | 0 | 115.1 | L1274 L1284 L1324 L1325 S1326 L1330 | L1274-F1328 HydrophobicContact CB-CE2 3.73Å; L1274-F1328 HydrophobicContact CB-CZ 3.77Å; L1274-F1328 HydrophobicContact CD1-CE2 4.3Å; L1274-F1328 HydrophobicContact CD2-CD2 4.09Å; L1274-F1328 HydrophobicContact CD2-CE1 4.24Å; L1274-F1328 HydrophobicContact CD2-CE2 3.81Å; L1274-F1328 HydrophobicContact CD2-CG 4.49Å; L1274-F1328 HydrophobicContact CD2-CZ 3.91Å; L1274-F1328 HydrophobicContact CG-CE2 4.16Å; L1274-F1328 HydrophobicContact CG-CZ 4.4Å; L1274-F1328 VanDerWaalsContact O-CZ 3.32Å; L1274-F1328 WeakPolarHBondContact O-CZ 3.39Å; L1284-F1328 HydrophobicContact CD1-CB 3.76Å; L1284-F1328 HydrophobicContact CD1-CD1 3.46Å; L1284-F1328 VanDerWaalsContact CD1-CD1 3.46Å; L1284-F1328 HydrophobicContact CD1-CD2 4.45Å; L1284-F1328 HydrophobicContact CD1-CE1 4.25Å; L1284-F1328 HydrophobicContact CD1-CG 3.61Å; L1324-F1328 HydrophobicContact CD1-CE2 4.43Å; L1324-F1328 HydrophobicContact CG-CE2 4.15Å; L1324-F1328 WeakPolarHBondContact O-CD2 3.39Å; L1324-F1328 PolarHBondContact O-N 3.02Å; L1325-F1328 PolarHBondContact O-N 3.4Å; S1326-F1328 PolarHBondContact O-N 3.29Å; F1328-L1330 HydrophobicContact CB-CD1 4.03Å; F1328-L1330 HydrophobicContact CB-CG 4.27Å; F1328-L1330 PolarHBondContact O-N 3.17Å; F1328-L1330 VanDerWaalsContact O-N 3.16Å |
| 1329 | R | 57.3 | Low | 58.8 | Low | 175 Ų | 175 | 60.7 Ų | 60.7 | 66% | 0.66 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 23.7 | 179.4 | -56 | 178.1 | 171.7 | 173.1 | -1.9 | 114.7 | L1325 S1326 W1331 | L1325-R1329 PolarHBondContact O-N 2.76Å; S1326-R1329 PolarHBondContact O-N 3.27Å; R1329-W1331 PolarHBondContact O-N 2.93Å |
| 1330 | L | 62.9 | Low | 58.9 | Low | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | trans | -80 | 46 | -178.8 | -72 | 165.4 | 0 | 0 | 0 | 112.5 | L1293 L1325 F1328 T1332 V1333 C1334 | L1293-L1330 HydrophobicContact CD1-CD1 3.97Å; L1293-L1330 HydrophobicContact CD1-CD2 3.94Å; L1325-L1330 HydrophobicContact CD2-CB 4.3Å; L1325-L1330 HydrophobicContact CD2-CD1 3.68Å; L1325-L1330 PolarHBondContact O-N 2.93Å; L1325-L1330 VanDerWaalsContact O-N 3.16Å; F1328-L1330 HydrophobicContact CB-CD1 4.03Å; F1328-L1330 HydrophobicContact CB-CG 4.27Å; F1328-L1330 PolarHBondContact O-N 3.17Å; F1328-L1330 VanDerWaalsContact O-N 3.16Å; L1330-T1332 VanDerWaalsContact C-N 3.31Å; L1330-T1332 PolarHBondContact O-N 3.06Å; L1330-V1333 HydrophobicContact CB-CB 4.29Å; L1330-V1333 HydrophobicContact CD2-CG2 4.29Å; L1330-V1333 PolarHBondContact O-N 3.46Å; L1330-C1334 PolarHBondContact O-N 3.27Å | ||
| 1331 | W | 59.9 | Low | 58.5 | Low | 113 Ų | 113 | 59.7 Ų | 59.7 | 43% | 0.428 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.9 | -39.2 | -172.8 | -61.6 | 105 | 0 | 0 | 0 | 114 | R1329 A1335 I1361 | R1329-W1331 PolarHBondContact O-N 2.93Å; W1331-A1335 VanDerWaalsContact O-CB 3.28Å; W1331-A1335 WeakPolarHBondContact O-CB 3.47Å; W1331-A1335 PolarHBondContact O-N 2.95Å; W1331-I1361 HydrophobicContact CH2-CB 4.41Å; W1331-I1361 HydrophobicContact CH2-CD1 4.27Å; W1331-I1361 HydrophobicContact CH2-CG2 3.45Å; W1331-I1361 VanDerWaalsContact CH2-CG2 3.45Å; W1331-I1361 HydrophobicContact CZ2-CG2 3.99Å; W1331-I1361 HydrophobicContact CZ3-CD1 4.48Å; W1331-I1361 HydrophobicContact CZ3-CG2 4.21Å |
| 1332 | T | 60.5 | Low | 57.4 | Low | 59 Ų | 59 | 61.2 Ų | 61.2 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.4 | 39.4 | 0 | 0 | 0 | 0 | 112 | E1290 L1330 A1335 R1336 | E1290-T1332 VanDerWaalsContact CD-OG1 3.24Å; E1290-T1332 VanDerWaalsContact OE1-CB 3.32Å; E1290-T1332 WeakPolarHBondContact OE1-CB 3.4Å; E1290-T1332 PolarHBondContact OE1-OG1 3.15Å; L1330-T1332 VanDerWaalsContact C-N 3.31Å; L1330-T1332 PolarHBondContact O-N 3.06Å; T1332-A1335 PolarHBondContact O-N 3.46Å; T1332-R1336 WeakPolarHBondContact O-CG 3.33Å; T1332-R1336 PolarHBondContact O-N 2.98Å |
| 1333 | V | 63.1 | Low | 56.1 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.5 | -44.2 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | E1290 E1294 L1330 A1335 R1336 I1337 | E1290-V1333 HydrophobicContact CB-CG2 3.85Å; E1290-V1333 HydrophobicContact CG-CG2 4.19Å; E1294-V1333 HydrophobicContact CB-CG1 4.34Å; L1330-V1333 HydrophobicContact CB-CB 4.29Å; L1330-V1333 HydrophobicContact CD2-CG2 4.29Å; L1330-V1333 PolarHBondContact O-N 3.46Å; V1333-A1335 VanDerWaalsContact C-N 3.32Å; V1333-A1335 PolarHBondContact O-N 2.8Å; V1333-R1336 PolarHBondContact O-N 2.93Å; V1333-I1337 HydrophobicContact CG1-CD1 3.68Å; V1333-I1337 HydrophobicContact CG1-CG1 4.27Å; V1333-I1337 WeakPolarHBondContact O-CB 3.28Å; V1333-I1337 WeakPolarHBondContact O-CG1 3.48Å; V1333-I1337 PolarHBondContact O-N 3.38Å |
| 1334 | C | 60.7 | Low | 55.1 | Low | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.054 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53.7 | -48.4 | 170.5 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | L1325 L1330 R1336 I1337 I1338 | L1325-C1334 WeakPolarHBondContact CB-SG 3.22Å; L1330-C1334 PolarHBondContact O-N 3.27Å; C1334-R1336 VanDerWaalsContact C-N 3.31Å; C1334-R1336 PolarHBondContact O-N 3.31Å; C1334-I1337 PolarHBondContact O-N 2.85Å; C1334-I1338 WeakPolarHBondContact O-CB 3.45Å; C1334-I1338 WeakPolarHBondContact O-CD1 3.41Å; C1334-I1338 WeakPolarHBondContact O-CG1 3.44Å; C1334-I1338 PolarHBondContact O-N 3.43Å |
| 1335 | A | 56.1 | Low | 53.9 | Low | 59 Ų | 59 | 73.3 Ų | 73.3 | 49% | 0.488 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.5 | -29.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1331 T1332 V1333 K1339 | W1331-A1335 VanDerWaalsContact O-CB 3.28Å; W1331-A1335 WeakPolarHBondContact O-CB 3.47Å; W1331-A1335 PolarHBondContact O-N 2.95Å; T1332-A1335 PolarHBondContact O-N 3.46Å; V1333-A1335 VanDerWaalsContact C-N 3.32Å; V1333-A1335 PolarHBondContact O-N 2.8Å; A1335-K1339 VanDerWaalsContact O-CB 3.25Å; A1335-K1339 WeakPolarHBondContact O-CB 3.33Å; A1335-K1339 PolarHBondContact O-N 3.17Å |
| 1336 | R | 62.3 | Low | 52.2 | Low | 86 Ų | 86 | 78 Ų | 78 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -76.5 | -47.2 | 173.1 | -70 | 176 | -157.3 | 141.4 | 12.9 | 112 | E1290 E1294 T1332 V1333 C1334 I1338 K1339 Q1340 | E1290-R1336 IonicContact OE2-CZ 3.55Å; E1290-R1336 VanDerWaalsContact OE2-CZ 3.29Å; E1290-R1336 IonicContact OE2-NH1 3.94Å; E1290-R1336 PolarHBondContact OE2-NH1 3.45Å; E1290-R1336 IonicContact OE2-NH2 3.32Å; E1290-R1336 PolarHBondContact OE2-NH2 2.79Å; E1294-R1336 WeakPolarHBondContact OE1-CD 3.46Å; E1294-R1336 WeakPolarHBondContact OE2-CD 3.2Å; E1294-R1336 IonicContact OE2-CZ 3.78Å; E1294-R1336 IonicContact OE2-NE 3.58Å; E1294-R1336 IonicContact OE2-NH1 2.82Å; E1294-R1336 PolarHBondContact OE2-NH1 2.95Å; T1332-R1336 WeakPolarHBondContact O-CG 3.33Å; T1332-R1336 PolarHBondContact O-N 2.98Å; V1333-R1336 PolarHBondContact O-N 2.93Å; C1334-R1336 VanDerWaalsContact C-N 3.31Å; C1334-R1336 PolarHBondContact O-N 3.31Å; R1336-I1338 PolarHBondContact O-N 2.66Å; R1336-K1339 CarbonylContact O-C 3.57Å; R1336-K1339 WeakPolarHBondContact O-CA 3.41Å; R1336-K1339 WeakPolarHBondContact O-CB 3.3Å; R1336-K1339 PolarHBondContact O-N 2.85Å; R1336-Q1340 VanDerWaalsContact C-OE1 3.27Å; R1336-Q1340 WeakPolarHBondContact O-CG 3.46Å; R1336-Q1340 PolarHBondContact O-N 2.88Å; R1336-Q1340 PolarHBondContact O-OE1 3.19Å; R1336-Q1340 VanDerWaalsContact O-OE1 3.13Å |
| 1337 | I | 58.7 | Low | 50.8 | Low | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57 | -48.7 | 176.8 | -68.6 | 170.4 | 0 | 0 | 0 | 110.4 | F1297 L1301 F1318 L1325 V1333 C1334 K1339 Q1340 C1341 | F1297-I1337 HydrophobicContact CB-CD1 3.65Å; F1297-I1337 HydrophobicContact CB-CG1 4.47Å; F1297-I1337 HydrophobicContact CD1-CD1 4.06Å; F1297-I1337 HydrophobicContact CD2-CD1 4.47Å; F1297-I1337 HydrophobicContact CG-CD1 3.81Å; L1301-I1337 HydrophobicContact CD1-CG2 3.97Å; F1318-I1337 HydrophobicContact CZ-CG2 4.41Å; L1325-I1337 HydrophobicContact CD1-CD1 4.05Å; V1333-I1337 HydrophobicContact CG1-CD1 3.68Å; V1333-I1337 HydrophobicContact CG1-CG1 4.27Å; V1333-I1337 WeakPolarHBondContact O-CB 3.28Å; V1333-I1337 WeakPolarHBondContact O-CG1 3.48Å; V1333-I1337 PolarHBondContact O-N 3.38Å; C1334-I1337 PolarHBondContact O-N 2.85Å; I1337-K1339 PolarHBondContact O-N 3.06Å; I1337-K1339 VanDerWaalsContact O-N 3.15Å; I1337-Q1340 PolarHBondContact O-N 2.99Å; I1337-Q1340 VanDerWaalsContact O-N 3.16Å; I1337-C1341 WeakPolarHBondContact O-CB 3.24Å; I1337-C1341 PolarHBondContact O-N 3.46Å; I1337-C1341 PolarHBondContact O-SG 2.96Å; I1337-C1341 VanDerWaalsContact O-SG 3.39Å |
| 1338 | I | 58.5 | Low | 49.5 | Very low | 80 Ų | 80 | 75.4 Ų | 75.4 | 41% | 0.41 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.5 | -27.3 | 176.2 | -68.9 | 166.5 | 0 | 0 | 0 | 112.1 | I1322 C1334 R1336 | I1322-I1338 HydrophobicContact CD1-CD1 4.24Å; I1322-I1338 HydrophobicContact CD1-CG1 4.19Å; C1334-I1338 WeakPolarHBondContact O-CB 3.45Å; C1334-I1338 WeakPolarHBondContact O-CD1 3.41Å; C1334-I1338 WeakPolarHBondContact O-CG1 3.44Å; C1334-I1338 PolarHBondContact O-N 3.43Å; R1336-I1338 PolarHBondContact O-N 2.66Å |
| 1339 | K | 52.4 | Low | 48.5 | Very low | 182 Ų | 182 | 80 Ų | 80 | 79% | 0.791 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -90.1 | -22.7 | 179.9 | -168.5 | 178.2 | -178.5 | -174.3 | 0 | 113.6 | A1335 R1336 I1337 | A1335-K1339 VanDerWaalsContact O-CB 3.25Å; A1335-K1339 WeakPolarHBondContact O-CB 3.33Å; A1335-K1339 PolarHBondContact O-N 3.17Å; R1336-K1339 CarbonylContact O-C 3.57Å; R1336-K1339 WeakPolarHBondContact O-CA 3.41Å; R1336-K1339 WeakPolarHBondContact O-CB 3.3Å; R1336-K1339 PolarHBondContact O-N 2.85Å; I1337-K1339 PolarHBondContact O-N 3.06Å; I1337-K1339 VanDerWaalsContact O-N 3.15Å |
| 1340 | Q | 51.4 | Low | 47.6 | Very low | 95 Ų | 95 | 76.1 Ų | 76.1 | 44% | 0.444 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -87.4 | -37.8 | 175.3 | -74.9 | 150.3 | -23.5 | 0 | 0 | 111.7 | E1294 R1336 I1337 G1342 | E1294-Q1340 PolarHBondContact OE1-NE2 3.24Å; R1336-Q1340 VanDerWaalsContact C-OE1 3.27Å; R1336-Q1340 WeakPolarHBondContact O-CG 3.46Å; R1336-Q1340 PolarHBondContact O-N 2.88Å; R1336-Q1340 PolarHBondContact O-OE1 3.19Å; R1336-Q1340 VanDerWaalsContact O-OE1 3.13Å; I1337-Q1340 PolarHBondContact O-N 2.99Å; I1337-Q1340 VanDerWaalsContact O-N 3.16Å; Q1340-G1342 PolarHBondContact O-N 2.99Å |
| 1341 | C | 47.7 | Very low | 46.3 | Very low | 46 Ų | 46 | 79.7 Ų | 79.7 | 31% | 0.311 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -79.1 | 56 | 177.2 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | I1337 N1343 | I1337-C1341 WeakPolarHBondContact O-CB 3.24Å; I1337-C1341 PolarHBondContact O-N 3.46Å; I1337-C1341 PolarHBondContact O-SG 2.96Å; I1337-C1341 VanDerWaalsContact O-SG 3.39Å; C1341-N1343 PolarHBondContact O-N 3.48Å |
| 1342 | G | 36.7 | Very low | 45.4 | Very low | 61 Ų | 61 | 77.4 Ų | 77.4 | 63% | 0.629 | 45% | 0.454 | S | S | * | . | trans | -59.8 | 125.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1340 | Q1340-G1342 PolarHBondContact O-N 2.99Š| ||
| 1343 | N | 32.2 | Very low | 44.5 | Very low | 127 Ų | 127 | 80.3 Ų | 80.3 | 68% | 0.679 | 46% | 0.459 | S | S | * | . | trans | 29.7 | 75.6 | 172 | -79.5 | 1.2 | 0 | 0 | 0 | 118.1 | C1341 | C1341-N1343 PolarHBondContact O-N 3.48Š| ||
| 1344 | P | 37.3 | Very low | 43.4 | Very low | 98 Ų | 98 | 84.8 Ų | 84.8 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -82.3 | -17.3 | 160.2 | -8.4 | 27.1 | 0 | 0 | 0 | 112.9 | ||
| 1345 | F | 35.2 | Very low | 42.5 | Very low | 156 Ų | 156 | 91.5 Ų | 91.5 | 68% | 0.684 | 51% | 0.507 | S | S | * | . | trans | -131.8 | 93.8 | -173.6 | -65.8 | -77.6 | 0 | 0 | 0 | 111.7 | G1347 | F1345-G1347 PolarHBondContact O-N 3.03Š| ||
| 1346 | A | 27.1 | Very low | 42 | Very low | 107 Ų | 107 | 93.7 Ų | 93.7 | 88% | 0.884 | 51% | 0.507 | S | S | * | . | trans | -84.4 | 77.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1347 | G | 31 | Very low | 41 | Very low | 32 Ų | 32 | 95.2 Ų | 95.2 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | trans | -140.5 | 139.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1345 | F1345-G1347 PolarHBondContact O-N 3.03Š| ||
| 1348 | A | 31.8 | Very low | 40.1 | Very low | 74 Ų | 74 | 98.6 Ų | 98.6 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | -170 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1350 Q1351 T1352 | A1348-N1350 VanDerWaalsContact C-N 3.32Å; A1348-N1350 PolarHBondContact O-N 3.46Å; A1348-Q1351 PolarHBondContact O-N 2.98Å; A1348-T1352 PolarHBondContact O-N 2.94Å; A1348-T1352 PolarHBondContact O-OG1 3.03Å |
| 1349 | D | 36.4 | Very low | 39.2 | Very low | 111 Ų | 111 | 102.4 Ų | 102.4 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -34.5 | -166.5 | -43 | -65.3 | 0 | 0 | 0 | 112.9 | Q1351 T1352 Y1353 | D1349-Q1351 VanDerWaalsContact C-N 3.3Å; D1349-Q1351 PolarHBondContact O-N 3.41Å; D1349-T1352 PolarHBondContact O-N 3.49Å; D1349-T1352 PolarHBondContact O-OG1 3.19Å; D1349-Y1353 WeakPolarHBondContact O-CB 3.17Å; D1349-Y1353 PolarHBondContact O-N 3.12Å |
| 1350 | N | 36.8 | Very low | 38.6 | Very low | 94 Ų | 94 | 96.6 Ų | 96.6 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -27.3 | 177.2 | -78 | -46 | 0 | 0 | 0 | 112.7 | A1348 L1354 | A1348-N1350 VanDerWaalsContact C-N 3.32Å; A1348-N1350 PolarHBondContact O-N 3.46Å; N1350-L1354 WeakPolarHBondContact O-CB 3.38Å; N1350-L1354 PolarHBondContact O-N 3.49Å; N1350-L1354 VanDerWaalsContact O-N 3.13Å |
| 1351 | Q | 35.8 | Very low | 37.8 | Very low | 84 Ų | 84 | 95.2 Ų | 95.2 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.4 | -35.8 | 172.4 | -70.2 | -158.6 | 8.7 | 0 | 0 | 112.2 | A1348 D1349 R1355 | A1348-Q1351 PolarHBondContact O-N 2.98Å; D1349-Q1351 VanDerWaalsContact C-N 3.3Å; D1349-Q1351 PolarHBondContact O-N 3.41Å; Q1351-R1355 WeakPolarHBondContact O-CB 3.35Å; Q1351-R1355 WeakPolarHBondContact O-CG 3.48Å; Q1351-R1355 PolarHBondContact O-N 3.42Å |
| 1352 | T | 41.9 | Very low | 37.2 | Very low | 65 Ų | 65 | 99.1 Ų | 99.1 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -53 | 173.8 | -12.6 | 0 | 0 | 0 | 0 | 109.8 | A1348 D1349 L1354 R1355 E1356 | A1348-T1352 PolarHBondContact O-N 2.94Å; A1348-T1352 PolarHBondContact O-OG1 3.03Å; D1349-T1352 PolarHBondContact O-N 3.49Å; D1349-T1352 PolarHBondContact O-OG1 3.19Å; T1352-L1354 PolarHBondContact O-N 3.02Å; T1352-R1355 PolarHBondContact O-N 3.43Å; T1352-R1355 VanDerWaalsContact O-N 3.08Å; T1352-E1356 WeakPolarHBondContact O-CB 3.39Å; T1352-E1356 WeakPolarHBondContact O-CG 3.26Å; T1352-E1356 PolarHBondContact O-N 3.29Å |
| 1353 | Y | 42.1 | Very low | 37 | Very low | 120 Ų | 120 | 104.1 Ų | 104.1 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.2 | -46.7 | 178.9 | -172.9 | -106.7 | 0 | 0 | 0 | 113.1 | D1349 E1356 R1357 | D1349-Y1353 WeakPolarHBondContact O-CB 3.17Å; D1349-Y1353 PolarHBondContact O-N 3.12Å; Y1353-E1356 PolarHBondContact O-N 3.29Å; Y1353-R1357 WeakPolarHBondContact O-CB 3.43Å; Y1353-R1357 PolarHBondContact O-N 3.29Å; Y1353-R1357 PolarHBondContact OH-NH1 2.94Å; Y1353-R1357 VanDerWaalsContact OH-NH1 3.15Å |
| 1354 | L | 39.5 | Very low | 37.1 | Very low | 94 Ų | 94 | 105.3 Ų | 105.3 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 176.1 | -80.5 | 167.3 | 0 | 0 | 0 | 112.8 | N1350 T1352 E1356 L1358 | N1350-L1354 WeakPolarHBondContact O-CB 3.38Å; N1350-L1354 PolarHBondContact O-N 3.49Å; N1350-L1354 VanDerWaalsContact O-N 3.13Å; T1352-L1354 PolarHBondContact O-N 3.02Å; L1354-E1356 VanDerWaalsContact C-N 3.29Å; L1354-E1356 PolarHBondContact O-N 3.37Å; L1354-L1358 VanDerWaalsContact O-CB 3.28Å; L1354-L1358 WeakPolarHBondContact O-CB 3.36Å; L1354-L1358 WeakPolarHBondContact O-CD1 3.49Å; L1354-L1358 WeakPolarHBondContact O-CG 3.32Å; L1354-L1358 PolarHBondContact O-N 3.16Å |
| 1355 | R | 42.3 | Very low | 36.6 | Very low | 149 Ų | 149 | 108.7 Ų | 108.7 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -35.1 | 175.3 | -77.9 | 174 | -178.2 | 148.2 | 9.9 | 112.1 | Q1351 T1352 R1359 | Q1351-R1355 WeakPolarHBondContact O-CB 3.35Å; Q1351-R1355 WeakPolarHBondContact O-CG 3.48Å; Q1351-R1355 PolarHBondContact O-N 3.42Å; T1352-R1355 PolarHBondContact O-N 3.43Å; T1352-R1355 VanDerWaalsContact O-N 3.08Å; R1355-R1359 WeakPolarHBondContact O-CB 3.11Å; R1355-R1359 VanDerWaalsContact O-CG 3.29Å; R1355-R1359 WeakPolarHBondContact O-CG 3.43Å; R1355-R1359 PolarHBondContact O-N 2.95Å |
| 1356 | E | 44.5 | Very low | 36.1 | Very low | 105 Ų | 105 | 108.2 Ų | 108.2 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -82.2 | -38.2 | -176.2 | -71.5 | 175.4 | 163 | 0 | 0 | 112.3 | T1352 Y1353 L1354 L1358 R1359 S1360 | T1352-E1356 WeakPolarHBondContact O-CB 3.39Å; T1352-E1356 WeakPolarHBondContact O-CG 3.26Å; T1352-E1356 PolarHBondContact O-N 3.29Å; Y1353-E1356 PolarHBondContact O-N 3.29Å; L1354-E1356 VanDerWaalsContact C-N 3.29Å; L1354-E1356 PolarHBondContact O-N 3.37Å; E1356-L1358 VanDerWaalsContact C-N 3.35Å; E1356-R1359 WeakPolarHBondContact O-CB 3.39Å; E1356-R1359 PolarHBondContact O-N 3.14Å; E1356-S1360 PolarHBondContact O-N 3.38Å |
| 1357 | R | 42.2 | Very low | 36 | Very low | 119 Ų | 119 | 112.1 Ų | 112.1 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.9 | -39.4 | 165 | -85.9 | -178.8 | 155 | -172.3 | -7.9 | 112.4 | Y1353 R1359 S1360 I1361 | Y1353-R1357 WeakPolarHBondContact O-CB 3.43Å; Y1353-R1357 PolarHBondContact O-N 3.29Å; Y1353-R1357 PolarHBondContact OH-NH1 2.94Å; Y1353-R1357 VanDerWaalsContact OH-NH1 3.15Å; R1357-R1359 VanDerWaalsContact C-N 3.32Å; R1357-R1359 PolarHBondContact O-N 3.4Å; R1357-S1360 PolarHBondContact O-N 2.87Å; R1357-S1360 PolarHBondContact O-OG 3.5Å; R1357-I1361 WeakPolarHBondContact O-CD1 3.23Å; R1357-I1361 WeakPolarHBondContact O-CG1 3.41Å; R1357-I1361 PolarHBondContact O-N 3.43Å |
| 1358 | L | 39.7 | Very low | 35.5 | Very low | 72 Ų | 72 | 121.4 Ų | 121.4 | 38% | 0.377 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.3 | -33.2 | 173.2 | -73.8 | 168.6 | 0 | 0 | 0 | 112.2 | L1354 E1356 N1362 | L1354-L1358 VanDerWaalsContact O-CB 3.28Å; L1354-L1358 WeakPolarHBondContact O-CB 3.36Å; L1354-L1358 WeakPolarHBondContact O-CD1 3.49Å; L1354-L1358 WeakPolarHBondContact O-CG 3.32Å; L1354-L1358 PolarHBondContact O-N 3.16Å; E1356-L1358 VanDerWaalsContact C-N 3.35Å; L1358-N1362 PolarHBondContact O-N 3.12Å; L1358-N1362 PolarHBondContact O-ND2 3.27Å |
| 1359 | R | 38.7 | Very low | 35.1 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 60% | 0.604 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.3 | -43.2 | 172.6 | -79.3 | 169 | 173.8 | 173.1 | -2.5 | 112.6 | R1355 E1356 R1357 I1361 N1362 H1363 | R1355-R1359 WeakPolarHBondContact O-CB 3.11Å; R1355-R1359 VanDerWaalsContact O-CG 3.29Å; R1355-R1359 WeakPolarHBondContact O-CG 3.43Å; R1355-R1359 PolarHBondContact O-N 2.95Å; E1356-R1359 WeakPolarHBondContact O-CB 3.39Å; E1356-R1359 PolarHBondContact O-N 3.14Å; R1357-R1359 VanDerWaalsContact C-N 3.32Å; R1357-R1359 PolarHBondContact O-N 3.4Å; R1359-I1361 VanDerWaalsContact C-N 3.32Å; R1359-I1361 PolarHBondContact O-N 3.44Å; R1359-N1362 PolarHBondContact O-N 3Å; R1359-H1363 PolarHBondContact O-CD2 2.87Å; R1359-H1363 PolarHBondContact O-N 3.33Å |
| 1360 | S | 40.1 | Very low | 34.5 | Very low | 60 Ų | 60 | 125.4 Ų | 125.4 | 42% | 0.42 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.5 | -40 | -179.1 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | E1356 R1357 H1363 | E1356-S1360 PolarHBondContact O-N 3.38Å; R1357-S1360 PolarHBondContact O-N 2.87Å; R1357-S1360 PolarHBondContact O-OG 3.5Å; S1360-H1363 PolarHBondContact O-N 3.4Å |
| 1361 | I | 35.5 | Very low | 33.8 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 34% | 0.338 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.3 | -38.2 | 177.3 | -53.8 | 159 | 0 | 0 | 0 | 111.8 | W1331 R1357 R1359 H1363 H1364 | W1331-I1361 HydrophobicContact CH2-CB 4.41Å; W1331-I1361 HydrophobicContact CH2-CD1 4.27Å; W1331-I1361 HydrophobicContact CH2-CG2 3.45Å; W1331-I1361 VanDerWaalsContact CH2-CG2 3.45Å; W1331-I1361 HydrophobicContact CZ2-CG2 3.99Å; W1331-I1361 HydrophobicContact CZ3-CD1 4.48Å; W1331-I1361 HydrophobicContact CZ3-CG2 4.21Å; R1357-I1361 WeakPolarHBondContact O-CD1 3.23Å; R1357-I1361 WeakPolarHBondContact O-CG1 3.41Å; R1357-I1361 PolarHBondContact O-N 3.43Å; R1359-I1361 VanDerWaalsContact C-N 3.32Å; R1359-I1361 PolarHBondContact O-N 3.44Å; I1361-H1363 PolarHBondContact O-N 3.31Å; I1361-H1363 VanDerWaalsContact O-N 3.15Å; I1361-H1364 PolarHBondContact O-N 3.42Å |
| 1362 | N | 33.9 | Very low | 33.2 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63 | -16.9 | 175 | -85.4 | -67.9 | 0 | 0 | 0 | 113.7 | L1358 R1359 | L1358-N1362 PolarHBondContact O-N 3.12Å; L1358-N1362 PolarHBondContact O-ND2 3.27Å; R1359-N1362 PolarHBondContact O-N 3Å |
| 1363 | H | 33.8 | Very low | 32.2 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -12.9 | 177.1 | -95.2 | -77.3 | 0 | 0 | 0 | 114.8 | R1359 S1360 I1361 | R1359-H1363 PolarHBondContact O-CD2 2.87Å; R1359-H1363 PolarHBondContact O-N 3.33Å; S1360-H1363 PolarHBondContact O-N 3.4Å; I1361-H1363 PolarHBondContact O-N 3.31Å; I1361-H1363 VanDerWaalsContact O-N 3.15Å |
| 1364 | H | 32.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 70% | 0.704 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -85.9 | -13.9 | -175.5 | -87.7 | -80 | 0 | 0 | 0 | 115.6 | I1361 | I1361-H1364 PolarHBondContact O-N 3.42Š|
| 1365 | Y | 26.9 | Very low | 30.6 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 66% | 0.659 | 68% | 0.683 | S | S | * | * | trans | -135.1 | 115.4 | -177.5 | -70.9 | -85.2 | 0 | 0 | 0 | 112.7 | F1367 | Y1365-F1367 PolarHBondContact O-N 2.92Š| ||
| 1366 | V | 24.5 | Very low | 29.7 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 89% | 0.885 | 68% | 0.68 | S | S | * | * | trans | -80 | 105.4 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1367 | F | 24.7 | Very low | 28.8 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 83% | 0.829 | 68% | 0.682 | S | S | * | * | trans | -128.5 | 133.8 | 166.9 | -99.1 | -87 | 0 | 0 | 0 | 112 | Y1365 | Y1365-F1367 PolarHBondContact O-N 2.92Š| ||
| 1368 | R | 21.7 | Very low | 28 | Very low | 227 Ų | 227 | 141.5 Ų | 141.5 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | trans | -79.5 | 129.6 | 166.5 | -71.2 | 178.1 | 173.8 | 169 | -0.7 | 108.6 | I1370 | R1368-I1370 PolarHBondContact O-N 3.44Å; R1368-I1370 VanDerWaalsContact O-N 3.15Å | ||
| 1369 | P | 22.3 | Very low | 27.2 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | trans | -70.6 | 110.7 | 172.2 | 28.1 | -32.6 | 0 | 0 | 0 | 109.9 | ||||
| 1370 | I | 23.6 | Very low | 26.6 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | trans | -80.3 | 118.2 | 166.1 | -63.8 | 178.6 | 0 | 0 | 0 | 107.3 | R1368 M1372 | R1368-I1370 PolarHBondContact O-N 3.44Å; R1368-I1370 VanDerWaalsContact O-N 3.15Å; I1370-M1372 HydrophobicContact CG2-CG 4.49Å; I1370-M1372 PolarHBondContact O-N 3.22Å | ||
| 1371 | V | 22.2 | Very low | 26 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -75.5 | 112.5 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1372 | M | 23.2 | Very low | 26 | Very low | 175 Ų | 175 | 151.6 Ų | 151.6 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | trans | -119 | 136.6 | 164.1 | -82 | -171.6 | 157.2 | 0 | 0 | 110.1 | I1370 | I1370-M1372 HydrophobicContact CG2-CG 4.49Å; I1370-M1372 PolarHBondContact O-N 3.22Å | ||
| 1373 | K | 22.6 | Very low | 25.6 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -83.4 | 142 | -177 | -63.2 | 179.1 | 177.1 | -177.5 | 0 | 110.6 | ||||
| 1374 | Q | 23.6 | Very low | 25.3 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -73.9 | 148.3 | 157.9 | -72.2 | -178.9 | -47.2 | 0 | 0 | 110.5 | ||||
| 1375 | P | 23.6 | Very low | 25 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -103.9 | 174.7 | 133.7 | 34.9 | -29.7 | 0 | 0 | 0 | 110.4 | ||||
| 1376 | E | 23.5 | Very low | 24.9 | Very low | 110 Ų | 110 | 143 Ų | 143 | 51% | 0.514 | 79% | 0.787 | S | S | . | * | trans | -127.7 | 161.1 | -153.4 | -63.4 | 158 | -120.5 | 0 | 0 | 115 | R797 | R797-E1376 WeakPolarHBondContact CD-OE1 3.25Å; R797-E1376 VanDerWaalsContact CG-OE1 3.29Å; R797-E1376 WeakPolarHBondContact CG-OE1 3.28Å; R797-E1376 IonicContact CZ-OE1 3.88Å; R797-E1376 IonicContact CZ-OE2 3.23Å; R797-E1376 VanDerWaalsContact CZ-OE2 3.23Å; R797-E1376 IonicContact NE-OE1 2.95Å; R797-E1376 PolarHBondContact NE-OE1 3.15Å; R797-E1376 IonicContact NE-OE2 2.95Å; R797-E1376 PolarHBondContact NE-OE2 2.9Å; R797-E1376 VanDerWaalsContact NH2-CB 3.35Å; R797-E1376 IonicContact NH2-OE2 2.71Å; R797-E1376 PolarHBondContact NH2-OE2 3.26Å | ||
| 1377 | S | 25.1 | Very low | 25 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 52% | 0.517 | 78% | 0.781 | S | S | . | * | trans | 78.4 | 151.7 | 141.7 | 62.4 | 0 | 0 | 0 | 0 | 122 | R797 | R797-S1377 PolarHBondContact NH2-OG 2.6Š| ||
| 1378 | E | 24.9 | Very low | 25.1 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 73.7 | 119.5 | 166.5 | -62.4 | 174.4 | -138.9 | 0 | 0 | 117.7 | ||||
| 1379 | S | 24.2 | Very low | 25.5 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | 110.9 | 113.1 | 5.1 | 87.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1380 | K | 26.1 | Very low | 25.8 | Very low | 206 Ų | 206 | 132.7 Ų | 132.7 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | trans | 179.3 | 168.9 | 142.8 | -98.1 | 152.5 | -171.9 | 169.8 | 0 | 111.7 | ||||
| 1381 | T | 26.6 | Very low | 26.1 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | trans | -130.4 | -155.4 | -156.6 | 50.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1382 | P | 36.1 | Very low | 26.5 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | -130.6 | -172.4 | -99.3 | 42.6 | -24.6 | 0 | 0 | 0 | 115.6 | |||||
| 1383 | G | 25.6 | Very low | 26.7 | Very low | 63 Ų | 63 | 128.8 Ų | 128.8 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | trans | 164 | 125.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1384 | N | 26.6 | Very low | 27 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | trans | 48.7 | 153.3 | 136.3 | -63.9 | 5.3 | 0 | 0 | 0 | 122.6 | ||||
| 1385 | T | 26.3 | Very low | 27.1 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | cis | -175.5 | 157.9 | -13.1 | 29.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1386 | G | 25.3 | Very low | 27.2 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 137 | 152.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1387 | D | 27 | Very low | 27.1 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -148.8 | -171.8 | 178.7 | -152.5 | 14 | 0 | 0 | 0 | 109.2 | ||||
| 1388 | T | 27.5 | Very low | 27 | Very low | 62 Ų | 62 | 142.3 Ų | 142.3 | 38% | 0.38 | 77% | 0.765 | S | S | . | * | cis | -157.2 | 154.6 | 28.7 | -6.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1389 | R | 28.8 | Very low | 26.9 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | 22.7 | 160.5 | 133.3 | -84.7 | -168.8 | 139.8 | 140.3 | -6.9 | 122.4 | ||||
| 1390 | S | 30.5 | Very low | 27.2 | Very low | 74 Ų | 74 | 145 Ų | 145 | 52% | 0.517 | 78% | 0.777 | S | S | . | * | cis | 179.3 | 177.7 | -20 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1391 | D | 29 | Very low | 27.1 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 71.1 | 166.5 | 155.2 | -45.9 | -43.4 | 0 | 0 | 0 | 119.2 | ||||
| 1392 | A | 29.7 | Very low | 27 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | cis | -159.4 | 160.9 | 11.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1393 | N | 29 | Very low | 26.6 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 64.8 | 147.7 | 148.2 | -56.6 | -33.3 | 0 | 0 | 0 | 120.7 | ||||
| 1394 | T | 27.3 | Very low | 26.6 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | cis | -158.1 | 127.3 | 45.7 | 32 | 0 | 0 | 0 | 0 | 118 | ||||
| 1395 | R | 26.1 | Very low | 26.6 | Very low | 227 Ų | 227 | 138.4 Ų | 138.4 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | 33.8 | 132.1 | 137.6 | -83.3 | -170.1 | 165.8 | 175.4 | -3.4 | 127.7 | ||||
| 1396 | T | 25.4 | Very low | 26.7 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 72.3 | 149.2 | 137.3 | 58.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1397 | R | 21.9 | Very low | 26.7 | Very low | 242 Ų | 242 | 143.1 Ų | 143.1 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | cis | -152.4 | -177 | 37.5 | -164.7 | 171.1 | -179.6 | 172.6 | 0.8 | 113.5 | ||||
| 1398 | W | 23 | Very low | 26.5 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 91% | 0.905 | 77% | 0.766 | S | S | * | * | trans | -89.1 | 153.6 | -171 | -61.7 | 41.4 | 0 | 0 | 0 | 116.2 | ||||
| 1399 | K | 22 | Very low | 26.4 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | -174.3 | 170.3 | 117.6 | -108.6 | -174.6 | 177.4 | -171.6 | 0 | 113.3 | |||||
| 1400 | S | 31.4 | Very low | 26.3 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -103.9 | 159.3 | -179.5 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1401 | G | 24.1 | Very low | 26.1 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 179.1 | 148.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1402 | G | 24.9 | Very low | 26 | Very low | 78 Ų | 78 | 143.2 Ų | 143.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -136.6 | 176.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1403 | L | 27.1 | Very low | 26 | Very low | 177 Ų | 177 | 151 Ų | 151 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -155.5 | 158.3 | 174.2 | -107.8 | 159 | 0 | 0 | 0 | 109.8 | ||||
| 1404 | T | 25.3 | Very low | 26 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | -135.2 | 168.5 | -161.3 | 51 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1405 | S | 27.5 | Very low | 26 | Very low | 91 Ų | 91 | 144.6 Ų | 144.6 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | 59.3 | 126.9 | 152.8 | 56.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1406 | I | 28.6 | Very low | 26.2 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | -155.2 | 141 | 109 | -95.6 | 154.5 | 0 | 0 | 0 | 107.5 | |||||
| 1407 | D | 24.2 | Very low | 26.4 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -91.5 | 154.4 | -162.3 | -58.2 | -85.6 | 0 | 0 | 0 | 115 | ||||
| 1408 | N | 24.2 | Very low | 26.8 | Very low | 117 Ų | 117 | 132 Ų | 132 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | trans | -157.4 | 108.5 | 157.2 | -142.3 | -46.3 | 0 | 0 | 0 | 111.4 | F1410 | N1408-F1410 VanDerWaalsContact C-N 3.27Å; N1408-F1410 PolarHBondContact O-N 2.95Å; N1408-F1410 VanDerWaalsContact O-N 3.08Å | ||
| 1409 | P | 24.3 | Very low | 27.4 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 1 | -162 | 28.3 | -35.7 | 0 | 0 | 0 | 116.4 | ||
| 1410 | F | 26.1 | Very low | 28 | Very low | 177 Ų | 177 | 119 Ų | 119 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -6.4 | -172.9 | -86.4 | -88.4 | 0 | 0 | 0 | 116.2 | N1408 | N1408-F1410 VanDerWaalsContact C-N 3.27Å; N1408-F1410 PolarHBondContact O-N 2.95Å; N1408-F1410 VanDerWaalsContact O-N 3.08Å |
| 1411 | I | 27.7 | Very low | 28.3 | Very low | 123 Ų | 123 | 119.1 Ų | 119.1 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -90 | -3.8 | -168.2 | -58.3 | 179.5 | 0 | 0 | 0 | 113.4 | R1413 | I1411-R1413 VanDerWaalsContact C-N 3.27Å; I1411-R1413 PolarHBondContact O-N 2.91Å |
| 1412 | S | 26.8 | Very low | 29 | Very low | 89 Ų | 89 | 116.9 Ų | 116.9 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -63.6 | -22 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 115.3 | L1414 | S1412-L1414 VanDerWaalsContact C-N 3.31Å; S1412-L1414 PolarHBondContact O-N 3.06Å |
| 1413 | R | 28.5 | Very low | 29.8 | Very low | 237 Ų | 237 | 117.8 Ų | 117.8 | 89% | 0.894 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -83.8 | 8.5 | -174.2 | -63.9 | -175.7 | 178.3 | 176.6 | 0.3 | 115.5 | I1411 | I1411-R1413 VanDerWaalsContact C-N 3.27Å; I1411-R1413 PolarHBondContact O-N 2.91Å |
| 1414 | L | 28.7 | Very low | 30.6 | Very low | 80 Ų | 80 | 111.7 Ų | 111.7 | 42% | 0.419 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -114.7 | -2.7 | -176 | -83 | 161 | 0 | 0 | 0 | 114.8 | S1412 N1416 M1417 | S1412-L1414 VanDerWaalsContact C-N 3.31Å; S1412-L1414 PolarHBondContact O-N 3.06Å; L1414-N1416 VanDerWaalsContact C-N 3.33Å; L1414-N1416 PolarHBondContact O-N 3.4Å; L1414-M1417 HydrophobicContact CD2-SD 3.86Å; L1414-M1417 PolarHBondContact O-N 3.03Å; L1414-M1417 VanDerWaalsContact O-N 3.11Å |
| 1415 | S | 27.3 | Very low | 31.5 | Very low | 73 Ų | 73 | 108.7 Ų | 108.7 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -53.5 | -42.8 | -177.1 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | M1417 S1418 | S1415-M1417 PolarHBondContact O-N 3.2Å; S1415-S1418 WeakPolarHBondContact O-CA 3.34Å; S1415-S1418 WeakPolarHBondContact O-CB 3.2Å; S1415-S1418 PolarHBondContact O-N 3.38Å |
| 1416 | N | 30.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 105.4 Ų | 105.4 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.4 | -20 | -177 | -68.9 | 2.9 | 0 | 0 | 0 | 113.4 | L1414 S1418 | L1414-N1416 VanDerWaalsContact C-N 3.33Å; L1414-N1416 PolarHBondContact O-N 3.4Å; N1416-S1418 VanDerWaalsContact C-N 3.34Å |
| 1417 | M | 29.7 | Very low | 33 | Very low | 115 Ų | 115 | 99.6 Ų | 99.6 | 57% | 0.567 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.4 | -24.8 | 168.8 | -68 | -166.7 | 175.2 | 0 | 0 | 112.6 | L1414 S1415 L1419 A1420 L1421 | L1414-M1417 HydrophobicContact CD2-SD 3.86Å; L1414-M1417 PolarHBondContact O-N 3.03Å; L1414-M1417 VanDerWaalsContact O-N 3.11Å; S1415-M1417 PolarHBondContact O-N 3.2Å; M1417-L1419 PolarHBondContact O-N 3.42Å; M1417-A1420 PolarHBondContact O-N 3.39Å; M1417-L1421 WeakPolarHBondContact O-CB 3.38Å; M1417-L1421 WeakPolarHBondContact O-CG 3.39Å; M1417-L1421 PolarHBondContact O-N 2.94Å |
| 1418 | S | 32.1 | Very low | 33.8 | Very low | 79 Ų | 79 | 98.6 Ų | 98.6 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -42.9 | 179.7 | -168.2 | 0 | 0 | 0 | 0 | 112.1 | S1415 N1416 A1420 L1421 A1422 | S1415-S1418 WeakPolarHBondContact O-CA 3.34Å; S1415-S1418 WeakPolarHBondContact O-CB 3.2Å; S1415-S1418 PolarHBondContact O-N 3.38Å; N1416-S1418 VanDerWaalsContact C-N 3.34Å; S1418-A1420 PolarHBondContact O-N 3.43Å; S1418-L1421 CarbonylContact O-C 3.44Å; S1418-L1421 PolarHBondContact O-N 2.93Å; S1418-A1422 PolarHBondContact O-N 3.27Å |
| 1419 | L | 34.4 | Very low | 34.7 | Very low | 126 Ų | 126 | 96.8 Ų | 96.8 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65 | -37.8 | 173.6 | -99.8 | 91 | 0 | 0 | 0 | 112.3 | M1417 L1421 A1422 V1425 | M1417-L1419 PolarHBondContact O-N 3.42Å; L1419-L1421 VanDerWaalsContact C-N 3.25Å; L1419-L1421 PolarHBondContact O-N 3.15Å; L1419-A1422 WeakPolarHBondContact O-CB 3.41Å; L1419-A1422 PolarHBondContact O-N 3.16Å; L1419-V1425 WeakPolarHBondContact O-CB 3.49Å; L1419-V1425 VanDerWaalsContact O-CG1 3.32Å; L1419-V1425 WeakPolarHBondContact O-CG1 3.34Å |
| 1420 | A | 35.7 | Very low | 35.8 | Very low | 50 Ų | 50 | 98.3 Ų | 98.3 | 41% | 0.413 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.4 | -27.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | M1417 S1418 | M1417-A1420 PolarHBondContact O-N 3.39Å; S1418-A1420 PolarHBondContact O-N 3.43Å |
| 1421 | L | 37.2 | Very low | 36.5 | Very low | 128 Ų | 128 | 92.5 Ų | 92.5 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -85.7 | -15.8 | 175.1 | -71.1 | 165.5 | 0 | 0 | 0 | 113.6 | M1417 S1418 L1419 | M1417-L1421 WeakPolarHBondContact O-CB 3.38Å; M1417-L1421 WeakPolarHBondContact O-CG 3.39Å; M1417-L1421 PolarHBondContact O-N 2.94Å; S1418-L1421 CarbonylContact O-C 3.44Å; S1418-L1421 PolarHBondContact O-N 2.93Å; L1419-L1421 VanDerWaalsContact C-N 3.25Å; L1419-L1421 PolarHBondContact O-N 3.15Å |
| 1422 | A | 39.4 | Very low | 37.1 | Very low | 36 Ų | 36 | 90.5 Ų | 90.5 | 30% | 0.298 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -58.8 | 126.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1418 L1419 G1424 V1425 A1426 | S1418-A1422 PolarHBondContact O-N 3.27Å; L1419-A1422 WeakPolarHBondContact O-CB 3.41Å; L1419-A1422 PolarHBondContact O-N 3.16Å; A1422-G1424 VanDerWaalsContact C-N 3.26Å; A1422-G1424 PolarHBondContact O-N 2.89Å; A1422-V1425 HydrophobicContact CB-CB 4.45Å; A1422-V1425 HydrophobicContact CB-CG2 4.36Å; A1422-V1425 PolarHBondContact O-N 3.39Å; A1422-A1426 PolarHBondContact O-N 2.89Å |
| 1423 | P | 41.5 | Very low | 37.9 | Very low | 97 Ų | 97 | 89.7 Ų | 89.7 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -53.9 | -34.2 | -165.5 | -32.1 | 36 | 0 | 0 | 0 | 116.1 | A1427 | P1423-A1427 WeakPolarHBondContact O-CB 3.37Å; P1423-A1427 PolarHBondContact O-N 3.37Å |
| 1424 | G | 43.9 | Very low | 38.5 | Very low | 49 Ų | 49 | 84.7 Ų | 84.7 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1422 L1428 | A1422-G1424 VanDerWaalsContact C-N 3.26Å; A1422-G1424 PolarHBondContact O-N 2.89Å; G1424-L1428 WeakPolarHBondContact O-CB 3.29Å; G1424-L1428 WeakPolarHBondContact O-CD1 3.17Å; G1424-L1428 VanDerWaalsContact O-CG 3.27Å; G1424-L1428 WeakPolarHBondContact O-CG 3.35Å; G1424-L1428 PolarHBondContact O-N 2.93Å |
| 1425 | V | 43.7 | Very low | 39.4 | Very low | 56 Ų | 56 | 87 Ų | 87 | 34% | 0.339 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.4 | -39.8 | 178.6 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | L1419 A1422 L1428 N1429 | L1419-V1425 WeakPolarHBondContact O-CB 3.49Å; L1419-V1425 VanDerWaalsContact O-CG1 3.32Å; L1419-V1425 WeakPolarHBondContact O-CG1 3.34Å; A1422-V1425 HydrophobicContact CB-CB 4.45Å; A1422-V1425 HydrophobicContact CB-CG2 4.36Å; A1422-V1425 PolarHBondContact O-N 3.39Å; V1425-L1428 PolarHBondContact O-N 3.24Å; V1425-N1429 WeakPolarHBondContact O-CB 3.41Å; V1425-N1429 PolarHBondContact O-N 2.97Å; V1425-N1429 PolarHBondContact O-ND2 3.34Å |
| 1426 | A | 43 | Very low | 40.5 | Very low | 22 Ų | 22 | 87.4 Ų | 87.4 | 18% | 0.182 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1422 N1429 Q1430 | A1422-A1426 PolarHBondContact O-N 2.89Å; A1426-N1429 PolarHBondContact O-N 2.91Å; A1426-Q1430 WeakPolarHBondContact O-CB 3.27Å; A1426-Q1430 VanDerWaalsContact O-CG 3.24Å; A1426-Q1430 WeakPolarHBondContact O-CG 3.37Å; A1426-Q1430 PolarHBondContact O-N 3.43Å |
| 1427 | A | 45.1 | Very low | 41.8 | Very low | 50 Ų | 50 | 83.8 Ų | 83.8 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1423 N1429 Q1430 A1431 | P1423-A1427 WeakPolarHBondContact O-CB 3.37Å; P1423-A1427 PolarHBondContact O-N 3.37Å; A1427-N1429 PolarHBondContact O-N 3.48Å; A1427-Q1430 PolarHBondContact O-N 2.95Å; A1427-A1431 VanDerWaalsContact O-CB 3.3Å; A1427-A1431 WeakPolarHBondContact O-CB 3.23Å; A1427-A1431 PolarHBondContact O-N 2.84Å |
| 1428 | L | 40.5 | Very low | 43.4 | Very low | 119 Ų | 119 | 82.9 Ų | 82.9 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 175.2 | -78.7 | 165.1 | 0 | 0 | 0 | 112.2 | G1424 V1425 A1431 S1432 | G1424-L1428 WeakPolarHBondContact O-CB 3.29Å; G1424-L1428 WeakPolarHBondContact O-CD1 3.17Å; G1424-L1428 VanDerWaalsContact O-CG 3.27Å; G1424-L1428 WeakPolarHBondContact O-CG 3.35Å; G1424-L1428 PolarHBondContact O-N 2.93Å; V1425-L1428 PolarHBondContact O-N 3.24Å; L1428-A1431 PolarHBondContact O-N 2.86Å; L1428-S1432 VanDerWaalsContact O-CB 3.24Å; L1428-S1432 WeakPolarHBondContact O-CB 3.17Å; L1428-S1432 PolarHBondContact O-N 3.26Å; L1428-S1432 PolarHBondContact O-OG 3.17Å |
| 1429 | N | 43 | Very low | 44.6 | Very low | 79 Ų | 79 | 79.3 Ų | 79.3 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.4 | -78.4 | -33.2 | 0 | 0 | 0 | 112.1 | V1425 A1426 A1427 T1433 | V1425-N1429 WeakPolarHBondContact O-CB 3.41Å; V1425-N1429 PolarHBondContact O-N 2.97Å; V1425-N1429 PolarHBondContact O-ND2 3.34Å; A1426-N1429 PolarHBondContact O-N 2.91Å; A1427-N1429 PolarHBondContact O-N 3.48Å; N1429-T1433 WeakPolarHBondContact O-CB 3.44Å; N1429-T1433 PolarHBondContact O-OG1 2.97Å |
| 1430 | Q | 46.5 | Very low | 45.4 | Very low | 141 Ų | 141 | 77.2 Ų | 77.2 | 66% | 0.659 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.5 | -34.9 | 176.4 | -72.2 | 173 | 18.2 | 0 | 0 | 113 | A1426 A1427 | A1426-Q1430 WeakPolarHBondContact O-CB 3.27Å; A1426-Q1430 VanDerWaalsContact O-CG 3.24Å; A1426-Q1430 WeakPolarHBondContact O-CG 3.37Å; A1426-Q1430 PolarHBondContact O-N 3.43Å; A1427-Q1430 PolarHBondContact O-N 2.95Å |
| 1431 | A | 41.9 | Very low | 46.3 | Very low | 56 Ų | 56 | 81.1 Ų | 81.1 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -82.4 | -36 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1427 L1428 | A1427-A1431 VanDerWaalsContact O-CB 3.3Å; A1427-A1431 WeakPolarHBondContact O-CB 3.23Å; A1427-A1431 PolarHBondContact O-N 2.84Å; L1428-A1431 PolarHBondContact O-N 2.86Å |
| 1432 | S | 39.1 | Very low | 47.8 | Very low | 81 Ų | 81 | 76 Ų | 76 | 57% | 0.566 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -81.6 | -19.6 | -175.7 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | L1428 T1434 | L1428-S1432 VanDerWaalsContact O-CB 3.24Å; L1428-S1432 WeakPolarHBondContact O-CB 3.17Å; L1428-S1432 PolarHBondContact O-N 3.26Å; L1428-S1432 PolarHBondContact O-OG 3.17Å; S1432-T1434 PolarHBondContact O-N 3.48Å; S1432-T1434 VanDerWaalsContact O-N 3.16Å |
| 1433 | T | 44.3 | Very low | 49 | Very low | 71 Ų | 71 | 79.1 Ų | 79.1 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | trans | -87.5 | 87.7 | -171.8 | -51 | 0 | 0 | 0 | 0 | 112.6 | N1429 L1435 | N1429-T1433 WeakPolarHBondContact O-CB 3.44Å; N1429-T1433 PolarHBondContact O-OG1 2.97Å; T1433-L1435 HydrophobicContact CG2-CD2 3.87Å; T1433-L1435 HydrophobicContact CG2-CG 3.97Å; T1433-L1435 PolarHBondContact O-N 2.87Å | ||
| 1434 | T | 41.8 | Very low | 50 | Low | 133 Ų | 133 | 77.7 Ų | 77.7 | 82% | 0.816 | 47% | 0.474 | S | S | * | . | trans | -76.1 | 80.8 | 175.2 | 44.2 | 0 | 0 | 0 | 0 | 112.8 | S1432 S1436 | S1432-T1434 PolarHBondContact O-N 3.48Å; S1432-T1434 VanDerWaalsContact O-N 3.16Å; T1434-S1436 PolarHBondContact O-N 2.95Å | ||
| 1435 | L | 46.8 | Very low | 50.8 | Low | 128 Ų | 128 | 78.9 Ų | 78.9 | 67% | 0.67 | 47% | 0.473 | S | S | * | . | trans | -67.7 | 111.9 | 177.5 | -66.8 | 176 | 0 | 0 | 0 | 112.3 | T1433 I1437 | T1433-L1435 HydrophobicContact CG2-CD2 3.87Å; T1433-L1435 HydrophobicContact CG2-CG 3.97Å; T1433-L1435 PolarHBondContact O-N 2.87Å; L1435-I1437 VanDerWaalsContact C-N 3.25Å; L1435-I1437 HydrophobicContact CB-CG1 3.95Å; L1435-I1437 PolarHBondContact O-N 3.29Å | ||
| 1436 | S | 50.1 | Low | 51.8 | Low | 81 Ų | 81 | 76.9 Ų | 76.9 | 57% | 0.566 | 46% | 0.46 | S | S | * | . | trans | -77.6 | 73.4 | 169.7 | -166.1 | 0 | 0 | 0 | 0 | 110.6 | T1434 R1438 | T1434-S1436 PolarHBondContact O-N 2.95Å; S1436-R1438 PolarHBondContact O-N 2.98Å | ||
| 1437 | I | 58.3 | Low | 52.8 | Low | 62 Ų | 62 | 78.1 Ų | 78.1 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | trans | -68.5 | 117.9 | -178.8 | -44.9 | 177.9 | 0 | 0 | 0 | 109.4 | L1435 P1445 L1446 I1475 | L1435-I1437 VanDerWaalsContact C-N 3.25Å; L1435-I1437 HydrophobicContact CB-CG1 3.95Å; L1435-I1437 PolarHBondContact O-N 3.29Å; I1437-P1445 WeakPolarHBondContact O-CA 3.49Å; I1437-L1446 HydrophobicContact CB-CD1 4.17Å; I1437-L1446 HydrophobicContact CB-CG 4.48Å; I1437-L1446 HydrophobicContact CG2-CD1 3.48Å; I1437-L1446 VanDerWaalsContact CG2-CD1 3.48Å; I1437-L1446 HydrophobicContact CG2-CG 4.09Å; I1437-L1446 PolarHBondContact O-N 3.35Å; I1437-I1475 HydrophobicContact CD1-CD1 4.34Å; I1437-I1475 HydrophobicContact CG2-CD1 4.47Å | ||
| 1438 | R | 62.7 | Low | 53.5 | Low | 97 Ų | 97 | 78.3 Ų | 78.3 | 37% | 0.366 | 47% | 0.468 | S | S | . | . | B | Isolated β-bridge | trans | -114.5 | 145 | 177.9 | -63.6 | 172.8 | -173.8 | -176.1 | 7.2 | 109.5 | Q253 S1436 G1440 T1443 K1444 | Q253-R1438 VanDerWaalsContact OE1-CZ 3.3Å; Q253-R1438 VanDerWaalsContact OE1-NH2 3.11Å; S1436-R1438 PolarHBondContact O-N 2.98Å; R1438-G1440 PolarHBondContact O-N 3.33Å; R1438-T1443 WeakPolarHBondContact CD-O 3.22Å; R1438-K1444 VanDerWaalsContact CA-O 3.26Å; R1438-K1444 WeakPolarHBondContact CA-O 3.39Å |
| 1439 | C | 57.7 | Low | 54.4 | Low | 4 Ų | 4 | 74.7 Ų | 74.7 | 3% | 0.027 | 45% | 0.453 | C | S | . | . | trans | -71.7 | 128 | 174.6 | 161.8 | 0 | 0 | 0 | 0 | 110.3 | L1441 C1442 T1443 K1444 L1446 C1463 A1473 | C1439-L1441 PolarHBondContact O-N 3.29Å; C1439-L1441 VanDerWaalsContact O-N 3.08Å; C1439-L1441 PolarHBondContact SG-N 2.95Å; C1439-L1441 VanDerWaalsContact SG-N 3.42Å; C1439-C1442 VanDerWaalsContact CB-SG 3.52Å; C1439-C1442 PolarHBondContact O-N 3.34Å; C1439-T1443 WeakPolarHBondContact O-CA 3.35Å; C1439-T1443 PolarHBondContact O-N 3.02Å; C1439-K1444 PolarHBondContact N-O 3.11Å; C1439-K1444 VanDerWaalsContact N-O 3.08Å; C1439-L1446 HydrophobicContact CB-CD2 3.5Å; C1439-C1463 HydrophobicContact CB-CB 3.49Å; C1439-C1463 VanDerWaalsContact CB-CB 3.49Å; C1439-A1473 HydrophobicContact CB-CB 3.99Å | ||
| 1440 | G | 51.7 | Low | 55.1 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 85% | 0.845 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | R1438 | R1438-G1440 PolarHBondContact O-N 3.33Š|
| 1441 | L | 54.1 | Low | 55.5 | Low | 131 Ų | 131 | 74.3 Ų | 74.3 | 69% | 0.686 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -32.4 | 178.8 | -61.3 | 174.6 | 0 | 0 | 0 | 114.2 | C1439 H1466 | C1439-L1441 PolarHBondContact O-N 3.29Å; C1439-L1441 VanDerWaalsContact O-N 3.08Å; C1439-L1441 PolarHBondContact SG-N 2.95Å; C1439-L1441 VanDerWaalsContact SG-N 3.42Å; L1441-H1466 VanDerWaalsContact CB-CE1 3.47Å; L1441-H1466 WeakPolarHBondContact CB-CE1 3Å; L1441-H1466 WeakPolarHBondContact CB-ND1 3.37Å |
| 1442 | C | 69.5 | Low | 56 | Low | 21 Ų | 21 | 71.9 Ų | 71.9 | 14% | 0.142 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -10.7 | -173.8 | 77.6 | 0 | 0 | 0 | 0 | 114.7 | C1439 K1444 C1463 H1466 | C1439-C1442 VanDerWaalsContact CB-SG 3.52Å; C1439-C1442 PolarHBondContact O-N 3.34Å; C1442-K1444 HydrophobicContact CB-CG 4.42Å; C1442-K1444 PolarHBondContact O-N 3.16Å; C1442-K1444 VanDerWaalsContact SG-CB 3.53Å; C1442-K1444 PolarHBondContact SG-N 3.05Å; C1442-K1444 VanDerWaalsContact SG-N 3.4Å; C1442-C1463 HydrophobicContact CB-CB 4.41Å; C1442-C1463 WeakPolarHBondContact CB-SG 3.32Å; C1442-C1463 WeakPolarHBondContact SG-CB 3.46Å; C1442-C1463 CovalentContact SG-SG 2.05Å; C1442-C1463 PolarHBondContact SG-SG 3.35Å; C1442-H1466 VanDerWaalsContact CB-CE1 3.47Å; C1442-H1466 WeakPolarHBondContact CB-CE1 3Å |
| 1443 | T | 63 | Low | 57 | Low | 101 Ų | 101 | 72.1 Ų | 72.1 | 62% | 0.62 | 43% | 0.427 | S | S | * | . | trans | 47.4 | 4.3 | -168.5 | 74.6 | 0 | 0 | 0 | 0 | 116.8 | R1438 C1439 | R1438-T1443 WeakPolarHBondContact CD-O 3.22Å; C1439-T1443 WeakPolarHBondContact O-CA 3.35Å; C1439-T1443 PolarHBondContact O-N 3.02Å | ||
| 1444 | K | 62.8 | Low | 57.5 | Low | 68 Ų | 68 | 74 Ų | 74 | 30% | 0.296 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -67.7 | 149.9 | 168.2 | -58 | -174.4 | 175.2 | -173.2 | 0 | 109.4 | R1438 C1439 C1442 | R1438-K1444 VanDerWaalsContact CA-O 3.26Å; R1438-K1444 WeakPolarHBondContact CA-O 3.39Å; C1439-K1444 PolarHBondContact N-O 3.11Å; C1439-K1444 VanDerWaalsContact N-O 3.08Å; C1442-K1444 HydrophobicContact CB-CG 4.42Å; C1442-K1444 PolarHBondContact O-N 3.16Å; C1442-K1444 VanDerWaalsContact SG-CB 3.53Å; C1442-K1444 PolarHBondContact SG-N 3.05Å; C1442-K1444 VanDerWaalsContact SG-N 3.4Å |
| 1445 | P | 61.9 | Low | 58 | Low | 73 Ų | 73 | 72.7 Ų | 72.7 | 47% | 0.474 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -54.4 | 143 | 164.4 | 26.3 | -35.3 | 0 | 0 | 0 | 109.7 | I1437 | I1437-P1445 WeakPolarHBondContact O-CA 3.49Å |
| 1446 | L | 63.6 | Low | 58.2 | Low | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 148.6 | 166.4 | -52.2 | -178.8 | 0 | 0 | 0 | 108.9 | I1437 C1439 W1461 A1462 C1463 A1473 | I1437-L1446 HydrophobicContact CB-CD1 4.17Å; I1437-L1446 HydrophobicContact CB-CG 4.48Å; I1437-L1446 HydrophobicContact CG2-CD1 3.48Å; I1437-L1446 VanDerWaalsContact CG2-CD1 3.48Å; I1437-L1446 HydrophobicContact CG2-CG 4.09Å; I1437-L1446 PolarHBondContact O-N 3.35Å; C1439-L1446 HydrophobicContact CB-CD2 3.5Å; L1446-W1461 HydrophobicContact CB-CB 3.56Å; L1446-W1461 HydrophobicContact CD1-CB 3.85Å; L1446-W1461 HydrophobicContact CG-CB 4.36Å; L1446-A1462 WeakPolarHBondContact CA-O 3.44Å; L1446-C1463 HydrophobicContact CD2-CB 4.29Å; L1446-A1473 HydrophobicContact CD2-CB 4.3Å |
| 1447 | C | 63.6 | Low | 58.1 | Low | 47 Ų | 47 | 67.5 Ų | 67.5 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -125.7 | 121.3 | -179 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | S1449 T1452 A1462 | C1447-S1449 PolarHBondContact O-N 3.23Å; C1447-T1452 WeakPolarHBondContact O-CB 3.47Å; C1447-T1452 WeakPolarHBondContact O-CG2 3.35Å; C1447-T1452 PolarHBondContact O-OG1 2.83Å; C1447-A1462 PolarHBondContact N-O 2.84Å |
| 1448 | A | 60.8 | Low | 57.7 | Low | 54 Ų | 54 | 70.1 Ų | 70.1 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | trans | -85.1 | 99.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | W1461 | A1448-W1461 HydrophobicContact CB-CD2 3.94Å; A1448-W1461 HydrophobicContact CB-CE3 3.94Å; A1448-W1461 HydrophobicContact CB-CG 4.44Å; A1448-W1461 HydrophobicContact CB-CZ3 4.25Å | ||
| 1449 | S | 58.3 | Low | 57.2 | Low | 43 Ų | 43 | 71.5 Ų | 71.5 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | trans | -127.9 | 160.6 | 170.8 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | C1447 T1451 T1452 Q1453 | C1447-S1449 PolarHBondContact O-N 3.23Å; S1449-T1451 PolarHBondContact O-N 3.31Å; S1449-T1451 PolarHBondContact OG-OG1 2.69Å; S1449-T1452 WeakPolarHBondContact O-CB 3.45Å; S1449-T1452 PolarHBondContact O-N 2.56Å; S1449-T1452 PolarHBondContact OG-N 2.67Å; S1449-T1452 VanDerWaalsContact OG-N 3.14Å; S1449-T1452 PolarHBondContact OG-OG1 3.16Å; S1449-Q1453 PolarHBondContact O-N 3.13Å | ||
| 1450 | E | 57.7 | Low | 56.9 | Low | 122 Ų | 122 | 72.8 Ų | 72.8 | 57% | 0.57 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55 | -34.8 | 173.1 | -61.4 | -169.8 | 144.4 | 0 | 0 | 112.2 | Q1453 Q1454 | E1450-Q1453 PolarHBondContact O-N 3.41Å; E1450-Q1454 WeakPolarHBondContact O-CB 3.2Å; E1450-Q1454 VanDerWaalsContact O-CG 3.26Å; E1450-Q1454 WeakPolarHBondContact O-CG 3.48Å; E1450-Q1454 PolarHBondContact O-N 2.92Å; E1450-Q1454 PolarHBondContact O-NE2 3.24Å |
| 1451 | T | 55.3 | Low | 57.3 | Low | 90 Ų | 90 | 76.4 Ų | 76.4 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 173.4 | 27.6 | 0 | 0 | 0 | 0 | 112.5 | S1449 Q1453 Q1454 L1455 | S1449-T1451 PolarHBondContact O-N 3.31Å; S1449-T1451 PolarHBondContact OG-OG1 2.69Å; T1451-Q1453 VanDerWaalsContact C-N 3.34Å; T1451-Q1453 PolarHBondContact O-N 3.08Å; T1451-Q1454 PolarHBondContact O-N 3.03Å; T1451-L1455 WeakPolarHBondContact O-CB 3.48Å; T1451-L1455 WeakPolarHBondContact O-CD1 3.4Å; T1451-L1455 VanDerWaalsContact O-CG 3.24Å; T1451-L1455 WeakPolarHBondContact O-CG 3.42Å; T1451-L1455 PolarHBondContact O-N 2.93Å |
| 1452 | T | 53.4 | Low | 57.6 | Low | 6 Ų | 6 | 70.4 Ų | 70.4 | 4% | 0.037 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 173.9 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | C1447 S1449 L1455 T1456 A1462 | C1447-T1452 WeakPolarHBondContact O-CB 3.47Å; C1447-T1452 WeakPolarHBondContact O-CG2 3.35Å; C1447-T1452 PolarHBondContact O-OG1 2.83Å; S1449-T1452 WeakPolarHBondContact O-CB 3.45Å; S1449-T1452 PolarHBondContact O-N 2.56Å; S1449-T1452 PolarHBondContact OG-N 2.67Å; S1449-T1452 VanDerWaalsContact OG-N 3.14Å; S1449-T1452 PolarHBondContact OG-OG1 3.16Å; T1452-L1455 PolarHBondContact O-N 3.05Å; T1452-T1456 HydrophobicContact CG2-CG2 4.35Å; T1452-T1456 WeakPolarHBondContact O-CB 3.45Å; T1452-T1456 PolarHBondContact O-N 2.92Å; T1452-T1456 PolarHBondContact O-OG1 2.81Å; T1452-A1462 HydrophobicContact CG2-CB 3.58Å |
| 1453 | Q | 59 | Low | 57.4 | Low | 85 Ų | 85 | 69.4 Ų | 69.4 | 40% | 0.397 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 178.3 | -66.4 | 179.5 | -16.9 | 0 | 0 | 111.6 | S1449 E1450 T1451 L1455 G1457 | S1449-Q1453 PolarHBondContact O-N 3.13Å; E1450-Q1453 PolarHBondContact O-N 3.41Å; T1451-Q1453 VanDerWaalsContact C-N 3.34Å; T1451-Q1453 PolarHBondContact O-N 3.08Å; Q1453-L1455 VanDerWaalsContact C-N 3.32Å; Q1453-L1455 PolarHBondContact O-N 2.87Å; Q1453-G1457 PolarHBondContact O-N 2.95Å |
| 1454 | Q | 56.2 | Low | 57.5 | Low | 110 Ų | 110 | 68.3 Ų | 68.3 | 51% | 0.514 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.8 | -29.2 | 175.3 | -74.6 | 166 | 56.8 | 0 | 0 | 113.3 | E1450 T1451 | E1450-Q1454 WeakPolarHBondContact O-CB 3.2Å; E1450-Q1454 VanDerWaalsContact O-CG 3.26Å; E1450-Q1454 WeakPolarHBondContact O-CG 3.48Å; E1450-Q1454 PolarHBondContact O-N 2.92Å; E1450-Q1454 PolarHBondContact O-NE2 3.24Å; T1451-Q1454 PolarHBondContact O-N 3.03Å |
| 1455 | L | 51.9 | Low | 57.5 | Low | 106 Ų | 106 | 72.4 Ų | 72.4 | 56% | 0.555 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -83.5 | -31.1 | 178.7 | -74.6 | 167.6 | 0 | 0 | 0 | 114.1 | T1451 T1452 Q1453 T1468 | T1451-L1455 WeakPolarHBondContact O-CB 3.48Å; T1451-L1455 WeakPolarHBondContact O-CD1 3.4Å; T1451-L1455 VanDerWaalsContact O-CG 3.24Å; T1451-L1455 WeakPolarHBondContact O-CG 3.42Å; T1451-L1455 PolarHBondContact O-N 2.93Å; T1452-L1455 PolarHBondContact O-N 3.05Å; Q1453-L1455 VanDerWaalsContact C-N 3.32Å; Q1453-L1455 PolarHBondContact O-N 2.87Å; L1455-T1468 HydrophobicContact CD2-CG2 4.09Å |
| 1456 | T | 50.5 | Low | 57.5 | Low | 33 Ų | 33 | 71.1 Ų | 71.1 | 20% | 0.202 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -107.8 | -10.3 | -172.1 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | T1452 H1458 A1462 A1467 | T1452-T1456 HydrophobicContact CG2-CG2 4.35Å; T1452-T1456 WeakPolarHBondContact O-CB 3.45Å; T1452-T1456 PolarHBondContact O-N 2.92Å; T1452-T1456 PolarHBondContact O-OG1 2.81Å; T1456-H1458 PolarHBondContact O-N 2.92Å; T1456-H1458 VanDerWaalsContact O-N 3.12Å; T1456-H1458 PolarHBondContact OG1-O 3.48Å; T1456-A1462 HydrophobicContact CG2-CB 4.29Å; T1456-A1467 HydrophobicContact CG2-CB 4.27Å |
| 1457 | G | 48.9 | Very low | 57.3 | Low | 67 Ų | 67 | 70.9 Ų | 70.9 | 69% | 0.691 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 66.1 | 9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1453 | Q1453-G1457 PolarHBondContact O-N 2.95Š|
| 1458 | H | 49.9 | Very low | 56.8 | Low | 117 Ų | 117 | 73.8 Ų | 73.8 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -132 | 150.7 | -174.8 | -68.5 | -13.2 | 0 | 0 | 0 | 110.5 | T1456 G1460 | T1456-H1458 PolarHBondContact O-N 2.92Å; T1456-H1458 VanDerWaalsContact O-N 3.12Å; T1456-H1458 PolarHBondContact OG1-O 3.48Å; H1458-G1460 PolarHBondContact O-N 3.49Å |
| 1459 | T | 50.7 | Low | 56.4 | Low | 126 Ų | 126 | 73.3 Ų | 73.3 | 77% | 0.773 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -75 | 15.8 | 178.5 | 46 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1460 | G | 51.9 | Low | 55.7 | Low | 32 Ų | 32 | 81.7 Ų | 81.7 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -87.4 | 174.6 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1458 | H1458-G1460 PolarHBondContact O-N 3.49Š|
| 1461 | W | 60.1 | Low | 55.3 | Low | 158 Ų | 158 | 82.1 Ų | 82.1 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | trans | -90.5 | 134.6 | 173.7 | -56 | 77.6 | 0 | 0 | 0 | 110 | L1446 A1448 | L1446-W1461 HydrophobicContact CB-CB 3.56Å; L1446-W1461 HydrophobicContact CD1-CB 3.85Å; L1446-W1461 HydrophobicContact CG-CB 4.36Å; A1448-W1461 HydrophobicContact CB-CD2 3.94Å; A1448-W1461 HydrophobicContact CB-CE3 3.94Å; A1448-W1461 HydrophobicContact CB-CG 4.44Å; A1448-W1461 HydrophobicContact CB-CZ3 4.25Å | ||
| 1462 | A | 61.6 | Low | 54.7 | Low | 4 Ų | 4 | 80.4 Ų | 80.4 | 3% | 0.033 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -139.4 | 159.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1446 C1447 T1452 T1456 A1467 | L1446-A1462 WeakPolarHBondContact CA-O 3.44Å; C1447-A1462 PolarHBondContact N-O 2.84Å; T1452-A1462 HydrophobicContact CG2-CB 3.58Å; T1456-A1462 HydrophobicContact CG2-CB 4.29Å; A1462-A1467 HydrophobicContact CB-CB 3.99Å |
| 1463 | C | 64.9 | Low | 54.6 | Low | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 44% | 0.441 | C | S | . | . | trans | -73.6 | 128.2 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | C1439 C1442 L1446 R1465 H1466 A1467 | C1439-C1463 HydrophobicContact CB-CB 3.49Å; C1439-C1463 VanDerWaalsContact CB-CB 3.49Å; C1442-C1463 HydrophobicContact CB-CB 4.41Å; C1442-C1463 WeakPolarHBondContact CB-SG 3.32Å; C1442-C1463 WeakPolarHBondContact SG-CB 3.46Å; C1442-C1463 CovalentContact SG-SG 2.05Å; C1442-C1463 PolarHBondContact SG-SG 3.35Å; L1446-C1463 HydrophobicContact CD2-CB 4.29Å; C1463-R1465 PolarHBondContact O-N 3.33Å; C1463-H1466 HydrophobicContact CB-CB 4.31Å; C1463-H1466 CarbonylContact O-C 3.6Å; C1463-H1466 PolarHBondContact O-N 3.43Å; C1463-A1467 PolarHBondContact O-N 2.92Å | ||
| 1464 | S | 64.3 | Low | 54.4 | Low | 79 Ų | 79 | 80 Ų | 80 | 55% | 0.552 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -0.6 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1465 | R | 62.7 | Low | 54.8 | Low | 154 Ų | 154 | 77.7 Ų | 77.7 | 58% | 0.581 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -21.6 | 170.4 | -175.5 | 177.5 | -85.2 | 178.8 | -8.8 | 113.2 | C1463 | C1463-R1465 PolarHBondContact O-N 3.33Š|
| 1466 | H | 63.4 | Low | 56 | Low | 45 Ų | 45 | 76 Ų | 76 | 21% | 0.208 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -128.9 | 30.9 | -175.1 | -54.2 | 157.5 | 0 | 0 | 0 | 111.9 | L1441 C1442 C1463 S1469 | L1441-H1466 VanDerWaalsContact CB-CE1 3.47Å; L1441-H1466 WeakPolarHBondContact CB-CE1 3Å; L1441-H1466 WeakPolarHBondContact CB-ND1 3.37Å; C1442-H1466 VanDerWaalsContact CB-CE1 3.47Å; C1442-H1466 WeakPolarHBondContact CB-CE1 3Å; C1463-H1466 HydrophobicContact CB-CB 4.31Å; C1463-H1466 CarbonylContact O-C 3.6Å; C1463-H1466 PolarHBondContact O-N 3.43Å; H1466-S1469 PolarHBondContact O-OG 3.35Å; H1466-S1469 VanDerWaalsContact O-OG 3.1Å |
| 1467 | A | 58.3 | Low | 57.6 | Low | 10 Ų | 10 | 74.4 Ų | 74.4 | 8% | 0.083 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -79.8 | -5.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1456 A1462 C1463 | T1456-A1467 HydrophobicContact CG2-CB 4.27Å; A1462-A1467 HydrophobicContact CB-CB 3.99Å; C1463-A1467 PolarHBondContact O-N 2.92Å |
| 1468 | T | 53 | Low | 59.2 | Low | 108 Ų | 108 | 72 Ų | 72 | 66% | 0.663 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -125.3 | 10.8 | -175.8 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | L1455 | L1455-T1468 HydrophobicContact CD2-CG2 4.09Š|
| 1469 | S | 53 | Low | 60.8 | Low | 45 Ų | 45 | 69.4 Ų | 69.4 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -79 | 148.8 | 166 | 44 | 0 | 0 | 0 | 0 | 109.7 | H1466 D1471 | H1466-S1469 PolarHBondContact O-OG 3.35Å; H1466-S1469 VanDerWaalsContact O-OG 3.1Å; S1469-D1471 CarbonylContact O-C 3.55Å; S1469-D1471 VanDerWaalsContact O-C 3.3Å; S1469-D1471 PolarHBondContact O-N 2.91Å; S1469-D1471 PolarHBondContact OG-O 3.41Å |
| 1470 | F | 44 | Very low | 62.6 | Low | 218 Ų | 218 | 65.2 Ų | 65.2 | 96% | 0.956 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -60.7 | -28.5 | -178.5 | -101.9 | -96.7 | 0 | 0 | 0 | 113.4 | P1472 | F1470-P1472 VanDerWaalsContact O-CD 3.25Å; F1470-P1472 WeakPolarHBondContact O-CD 3.47Å |
| 1471 | D | 49.1 | Very low | 64 | Low | 131 Ų | 131 | 70.3 Ų | 70.3 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -86.7 | 108.8 | 156.2 | -78.5 | -56.2 | 0 | 0 | 0 | 109.9 | S1469 | S1469-D1471 CarbonylContact O-C 3.55Å; S1469-D1471 VanDerWaalsContact O-C 3.3Å; S1469-D1471 PolarHBondContact O-N 2.91Å; S1469-D1471 PolarHBondContact OG-O 3.41Å |
| 1472 | P | 41.9 | Very low | 64.8 | Low | 54 Ų | 54 | 68.4 Ų | 68.4 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | trans | -67.8 | 141.5 | 159.6 | 30.9 | -33.4 | 0 | 0 | 0 | 108.3 | F1470 T1474 | F1470-P1472 VanDerWaalsContact O-CD 3.25Å; F1470-P1472 WeakPolarHBondContact O-CD 3.47Å; P1472-T1474 HydrophobicContact CB-CG2 4.17Å; P1472-T1474 HydrophobicContact CG-CG2 4.06Å; P1472-T1474 PolarHBondContact O-N 2.82Å; P1472-T1474 PolarHBondContact O-OG1 3.22Å | ||
| 1473 | A | 50.5 | Low | 65.3 | Low | 27 Ų | 27 | 71.2 Ų | 71.2 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | trans | -73 | 64.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | C1439 L1446 | C1439-A1473 HydrophobicContact CB-CB 3.99Å; L1446-A1473 HydrophobicContact CD2-CB 4.3Å | ||
| 1474 | T | 55.6 | Low | 65.4 | Low | 56 Ų | 56 | 72.1 Ų | 72.1 | 34% | 0.344 | 39% | 0.391 | S | S | . | . | trans | -93.6 | 151.9 | -176.5 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | P1472 T1476 V1483 | P1472-T1474 HydrophobicContact CB-CG2 4.17Å; P1472-T1474 HydrophobicContact CG-CG2 4.06Å; P1472-T1474 PolarHBondContact O-N 2.82Å; P1472-T1474 PolarHBondContact O-OG1 3.22Å; T1474-T1476 PolarHBondContact O-N 3.37Å; T1474-V1483 HydrophobicContact CG2-CG1 4.2Å; T1474-V1483 HydrophobicContact CG2-CG2 4.35Å; T1474-V1483 WeakPolarHBondContact OG1-CG2 3.4Å | ||
| 1475 | I | 64.7 | Low | 65.1 | Low | 61 Ų | 61 | 79 Ų | 79 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | trans | -83 | 100.9 | -178.9 | -58.1 | 177 | 0 | 0 | 0 | 109.1 | I1437 V1484 F1488 | I1437-I1475 HydrophobicContact CD1-CD1 4.34Å; I1437-I1475 HydrophobicContact CG2-CD1 4.47Å; I1475-V1484 PolarHBondContact O-N 2.83Å; I1475-F1488 HydrophobicContact CG2-CB 4.42Å; I1475-F1488 HydrophobicContact CG2-CD1 3.92Å; I1475-F1488 HydrophobicContact CG2-CD2 3.25Å; I1475-F1488 HydrophobicContact CG2-CE1 3.88Å; I1475-F1488 HydrophobicContact CG2-CE2 3.19Å; I1475-F1488 HydrophobicContact CG2-CG 3.61Å; I1475-F1488 HydrophobicContact CG2-CZ 3.53Å | ||
| 1476 | T | 77.3 | Confident | 65.2 | Low | 70 Ų | 70 | 74.4 Ų | 74.4 | 43% | 0.429 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -86.3 | 141.7 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | T1474 H1481 L1482 V1483 | T1474-T1476 PolarHBondContact O-N 3.37Å; T1476-H1481 WeakPolarHBondContact CB-O 3.46Å; T1476-H1481 VanDerWaalsContact CG2-O 3.32Å; T1476-H1481 WeakPolarHBondContact CG2-O 3.48Å; T1476-L1482 WeakPolarHBondContact CA-O 3.4Å; T1476-V1483 HydrophobicContact CG2-CG2 4.41Å |
| 1477 | C | 83.8 | Confident | 65.1 | Low | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | trans | -71.7 | 128.4 | 173.7 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | L1479 C1480 H1481 L1482 V1484 H1499 H1502 | C1477-L1479 PolarHBondContact O-N 3.48Å; C1477-C1480 PolarHBondContact O-N 3.35Å; C1477-C1480 VanDerWaalsContact SG-SG 3.67Å; C1477-H1481 WeakPolarHBondContact O-CA 3.19Å; C1477-H1481 PolarHBondContact O-N 3.13Å; C1477-L1482 PolarHBondContact N-O 2.99Å; C1477-V1484 HydrophobicContact CB-CG2 3.81Å; C1477-H1499 WeakPolarHBondContact CB-ND1 3.42Å; C1477-H1502 PolarHBondContact SG-ND1 3.03Å | ||
| 1478 | A | 83.4 | Confident | 66 | Low | 18 Ų | 18 | 80.1 Ų | 80.1 | 15% | 0.149 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -9.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | G1497 M1503 P1514 T1515 | A1478-G1497 VanDerWaalsContact CB-O 3.27Å; A1478-G1497 WeakPolarHBondContact CB-O 3.22Å; A1478-G1497 PolarHBondContact N-O 3.34Å; A1478-M1503 HydrophobicContact CB-CE 4.34Å; A1478-P1514 HydrophobicContact CB-CG 4.33Å; A1478-T1515 HydrophobicContact CB-CG2 3.69Å |
| 1479 | L | 83.5 | Confident | 67 | Low | 61 Ų | 61 | 77.6 Ų | 77.6 | 32% | 0.319 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -28.6 | -178.4 | -79.9 | 169.3 | 0 | 0 | 0 | 115.1 | C1477 H1502 M1503 W1506 P1514 | C1477-L1479 PolarHBondContact O-N 3.48Å; L1479-H1502 HydrophobicContact CB-CB 4.3Å; L1479-H1502 HydrophobicContact CD1-CB 4.04Å; L1479-H1502 WeakPolarHBondContact CD1-O 3.45Å; L1479-M1503 HydrophobicContact CB-CE 4.45Å; L1479-M1503 HydrophobicContact CD1-CE 3.53Å; L1479-M1503 HydrophobicContact CG-CE 3.89Å; L1479-W1506 HydrophobicContact CD1-CB 3.68Å; L1479-W1506 HydrophobicContact CD1-CE3 4.5Å; L1479-W1506 HydrophobicContact CD1-CG 4.25Å; L1479-W1506 HydrophobicContact CD2-CD2 4.21Å; L1479-W1506 HydrophobicContact CD2-CE3 3.64Å; L1479-W1506 HydrophobicContact CD2-CZ3 4.02Å; L1479-P1514 HydrophobicContact CD1-CB 4.21Å; L1479-P1514 HydrophobicContact CD1-CG 4.37Å; L1479-P1514 HydrophobicContact CD2-CB 3.54Å; L1479-P1514 HydrophobicContact CD2-CG 4.48Å; L1479-P1514 HydrophobicContact CG-CB 3.74Å; L1479-P1514 HydrophobicContact CG-CG 4.15Å |
| 1480 | C | 87.8 | Confident | 68.1 | Low | 39 Ų | 39 | 77.6 Ų | 77.6 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -2.7 | 177.5 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | C1477 L1482 H1502 | C1477-C1480 PolarHBondContact O-N 3.35Å; C1477-C1480 VanDerWaalsContact SG-SG 3.67Å; C1480-L1482 HydrophobicContact CB-CG 4.48Å; C1480-L1482 PolarHBondContact O-N 3.05Å; C1480-H1502 PolarHBondContact SG-CE1 3.5Å; C1480-H1502 PolarHBondContact SG-ND1 3.08Å; C1480-H1502 VanDerWaalsContact SG-ND1 3.43Å |
| 1481 | H | 81.2 | Confident | 69.3 | Low | 139 Ų | 139 | 68.1 Ų | 68.1 | 64% | 0.644 | 38% | 0.377 | S | S | * | . | trans | 58.2 | -4.9 | -177.7 | -50.9 | -68.6 | 0 | 0 | 0 | 116.2 | T1476 C1477 | T1476-H1481 WeakPolarHBondContact CB-O 3.46Å; T1476-H1481 VanDerWaalsContact CG2-O 3.32Å; T1476-H1481 WeakPolarHBondContact CG2-O 3.48Å; C1477-H1481 WeakPolarHBondContact O-CA 3.19Å; C1477-H1481 PolarHBondContact O-N 3.13Å | ||
| 1482 | L | 77.6 | Confident | 70.1 | Confident | 118 Ų | 118 | 71.4 Ų | 71.4 | 62% | 0.618 | 38% | 0.379 | S | S | * | . | trans | -66.8 | 148.2 | 172.5 | -57.6 | 179.3 | 0 | 0 | 0 | 111.9 | T1476 C1477 C1480 V1484 | T1476-L1482 WeakPolarHBondContact CA-O 3.4Å; C1477-L1482 PolarHBondContact N-O 2.99Å; C1480-L1482 HydrophobicContact CB-CG 4.48Å; C1480-L1482 PolarHBondContact O-N 3.05Å; L1482-V1484 PolarHBondContact O-N 3.14Å | ||
| 1483 | V | 71 | Confident | 71.1 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 38% | 0.376 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -65.4 | 126.1 | 174.8 | 178 | 0 | 0 | 0 | 0 | 110.7 | T1474 T1476 R1485 | T1474-V1483 HydrophobicContact CG2-CG1 4.2Å; T1474-V1483 HydrophobicContact CG2-CG2 4.35Å; T1474-V1483 WeakPolarHBondContact OG1-CG2 3.4Å; T1476-V1483 HydrophobicContact CG2-CG2 4.41Å; V1483-R1485 PolarHBondContact O-N 3.38Å |
| 1484 | V | 67.9 | Low | 72.3 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 12% | 0.121 | 38% | 0.38 | C | S | . | . | trans | -74.2 | 112.7 | -179.8 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | I1475 C1477 L1482 F1488 | I1475-V1484 PolarHBondContact O-N 2.83Å; C1477-V1484 HydrophobicContact CB-CG2 3.81Å; L1482-V1484 PolarHBondContact O-N 3.14Å; V1484-F1488 HydrophobicContact CB-CD2 4.48Å; V1484-F1488 HydrophobicContact CG1-CB 4.03Å; V1484-F1488 HydrophobicContact CG2-CD2 4.14Å | ||
| 1485 | R | 57 | Low | 73 | Confident | 223 Ų | 223 | 72.2 Ų | 72.2 | 84% | 0.842 | 39% | 0.394 | S | S | * | . | trans | -98.7 | 16.4 | 179.5 | -68.7 | 179.3 | 172.6 | 159.3 | -1.9 | 113.6 | V1483 | V1483-R1485 PolarHBondContact O-N 3.38Š| ||
| 1486 | G | 65 | Low | 73.7 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -150.6 | -141.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1488 | G1486-F1488 PolarHBondContact O-N 2.97Š|
| 1487 | L | 61.5 | Low | 73.8 | Confident | 106 Ų | 106 | 69.5 Ų | 69.5 | 56% | 0.555 | 38% | 0.376 | S | S | * | . | trans | -63.6 | 116 | 176.1 | -71.8 | 171.7 | 0 | 0 | 0 | 111.1 | L1500 | L1487-L1500 HydrophobicContact CD1-CD2 4.25Š| ||
| 1488 | F | 76.5 | Confident | 73.8 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 30% | 0.303 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114.3 | 168.6 | 177 | -110.5 | 0 | 0 | 0 | 109.8 | I1475 V1484 G1486 C1490 G1498 | I1475-F1488 HydrophobicContact CG2-CB 4.42Å; I1475-F1488 HydrophobicContact CG2-CD1 3.92Å; I1475-F1488 HydrophobicContact CG2-CD2 3.25Å; I1475-F1488 HydrophobicContact CG2-CE1 3.88Å; I1475-F1488 HydrophobicContact CG2-CE2 3.19Å; I1475-F1488 HydrophobicContact CG2-CG 3.61Å; I1475-F1488 HydrophobicContact CG2-CZ 3.53Å; V1484-F1488 HydrophobicContact CB-CD2 4.48Å; V1484-F1488 HydrophobicContact CG1-CB 4.03Å; V1484-F1488 HydrophobicContact CG2-CD2 4.14Å; G1486-F1488 PolarHBondContact O-N 2.97Å; F1488-C1490 HydrophobicContact CD1-CB 4.32Å; F1488-C1490 HydrophobicContact CE1-CB 3.56Å; F1488-C1490 HydrophobicContact CZ-CB 3.82Å; F1488-G1498 WeakPolarHBondContact CA-O 3.48Å; F1488-G1498 VanDerWaalsContact CE2-N 3.29Å |
| 1489 | V | 74.4 | Confident | 73.8 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 34% | 0.339 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.3 | 174 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | G1497 G1498 L1500 M1503 | V1489-G1497 CarbonylContact O-C 3.59Å; V1489-G1497 WeakPolarHBondContact O-CA 3.31Å; V1489-G1498 PolarHBondContact N-O 2.91Å; V1489-G1498 PolarHBondContact O-N 3.36Å; V1489-L1500 HydrophobicContact CG2-CB 4.01Å; V1489-L1500 HydrophobicContact CG2-CD1 3.78Å; V1489-L1500 HydrophobicContact CG2-CG 4.5Å; V1489-M1503 HydrophobicContact CB-CG 4.3Å |
| 1490 | C | 77.3 | Confident | 73.7 | Confident | 45 Ų | 45 | 70.6 Ų | 70.6 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149.4 | 175.1 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | F1488 R1492 S1495 H1496 | F1488-C1490 HydrophobicContact CD1-CB 4.32Å; F1488-C1490 HydrophobicContact CE1-CB 3.56Å; F1488-C1490 HydrophobicContact CZ-CB 3.82Å; C1490-R1492 PolarHBondContact O-N 3.07Å; C1490-S1495 WeakPolarHBondContact CB-O 3.46Å; C1490-H1496 VanDerWaalsContact CA-O 3.24Å; C1490-H1496 WeakPolarHBondContact CA-O 3.26Å; C1490-H1496 WeakPolarHBondContact CB-O 3.45Å |
| 1491 | C | 68.5 | Low | 73.4 | Confident | 19 Ų | 19 | 73.9 Ų | 73.9 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | trans | -69.4 | 129.4 | 171.1 | 177 | 0 | 0 | 0 | 0 | 110 | G1493 S1495 H1496 C1521 | C1491-G1493 PolarHBondContact O-N 3.48Å; C1491-G1493 PolarHBondContact SG-N 2.94Å; C1491-G1493 VanDerWaalsContact SG-N 3.42Å; C1491-S1495 VanDerWaalsContact O-CA 3.28Å; C1491-S1495 WeakPolarHBondContact O-CA 3.21Å; C1491-S1495 PolarHBondContact O-N 2.98Å; C1491-H1496 PolarHBondContact N-O 3.11Å; C1491-C1521 HydrophobicContact CB-CB 4.26Å | ||
| 1492 | R | 64.6 | Low | 73.6 | Confident | 199 Ų | 199 | 70.8 Ų | 70.8 | 75% | 0.751 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -25.3 | 176.7 | -86.2 | 175.5 | -177.7 | 161.1 | 4.9 | 113.6 | C1490 Y1523 | C1490-R1492 PolarHBondContact O-N 3.07Å; R1492-Y1523 VanDerWaalsContact CD-OH 3.25Å; R1492-Y1523 WeakPolarHBondContact CD-OH 3.25Å; R1492-Y1523 WeakPolarHBondContact CG-OH 3.44Å; R1492-Y1523 PolarHBondContact NE-OH 3.44Å; R1492-Y1523 VanDerWaalsContact NE-OH 3.15Å |
| 1493 | G | 64 | Low | 73.8 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -53.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1491 H1519 | C1491-G1493 PolarHBondContact O-N 3.48Å; C1491-G1493 PolarHBondContact SG-N 2.94Å; C1491-G1493 VanDerWaalsContact SG-N 3.42Å; G1493-H1519 VanDerWaalsContact CA-NE2 3.34Å; G1493-H1519 WeakPolarHBondContact CA-NE2 3.48Å |
| 1494 | C | 76.4 | Confident | 74.3 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 11% | 0.108 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -2.6 | -175.2 | 66 | 0 | 0 | 0 | 0 | 115.6 | H1496 C1513 H1519 | C1494-H1496 PolarHBondContact O-N 3.41Å; C1494-H1496 PolarHBondContact O-ND1 3.41Å; C1494-C1513 PolarHBondContact SG-SG 3.2Å; C1494-H1519 HydrophobicContact CB-CB 3.78Å |
| 1495 | S | 70.1 | Confident | 75 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | trans | 60.6 | -13.3 | -177.2 | 74.3 | 0 | 0 | 0 | 0 | 117.6 | C1490 C1491 | C1490-S1495 WeakPolarHBondContact CB-O 3.46Å; C1491-S1495 VanDerWaalsContact O-CA 3.28Å; C1491-S1495 WeakPolarHBondContact O-CA 3.21Å; C1491-S1495 PolarHBondContact O-N 2.98Å | ||
| 1496 | H | 78 | Confident | 76.4 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | trans | -58.1 | 144.4 | 169 | -55.5 | 124 | 0 | 0 | 0 | 111.7 | C1490 C1491 C1494 C1513 T1515 C1517 | C1490-H1496 VanDerWaalsContact CA-O 3.24Å; C1490-H1496 WeakPolarHBondContact CA-O 3.26Å; C1490-H1496 WeakPolarHBondContact CB-O 3.45Å; C1491-H1496 PolarHBondContact N-O 3.11Å; C1494-H1496 PolarHBondContact O-N 3.41Å; C1494-H1496 PolarHBondContact O-ND1 3.41Å; H1496-C1513 VanDerWaalsContact CB-SG 3.58Å; H1496-T1515 HydrophobicContact CB-CG2 3.98Å; H1496-T1515 PolarHBondContact CE1-OG1 3.16Å; H1496-T1515 VanDerWaalsContact CE1-OG1 3.23Å; H1496-T1515 VanDerWaalsContact CG-OG1 3.27Å; H1496-T1515 PolarHBondContact ND1-OG1 3.11Å; H1496-C1517 PolarHBondContact CE1-SG 2.92Å; H1496-C1517 PolarHBondContact ND1-SG 3.47Å | ||
| 1497 | G | 79.4 | Confident | 77.1 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | -172.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1478 V1489 M1503 | A1478-G1497 VanDerWaalsContact CB-O 3.27Å; A1478-G1497 WeakPolarHBondContact CB-O 3.22Å; A1478-G1497 PolarHBondContact N-O 3.34Å; V1489-G1497 CarbonylContact O-C 3.59Å; V1489-G1497 WeakPolarHBondContact O-CA 3.31Å; G1497-M1503 VanDerWaalsContact CA-SD 3.58Å |
| 1498 | G | 84.9 | Confident | 78 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | -156.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1488 V1489 | F1488-G1498 WeakPolarHBondContact CA-O 3.48Å; F1488-G1498 VanDerWaalsContact CE2-N 3.29Å; V1489-G1498 PolarHBondContact N-O 2.91Å; V1489-G1498 PolarHBondContact O-N 3.36Å |
| 1499 | H | 83.6 | Confident | 78.2 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 19% | 0.185 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 137 | 168.9 | -58.7 | 108 | 0 | 0 | 0 | 110 | C1477 D1501 H1502 M1503 | C1477-H1499 WeakPolarHBondContact CB-ND1 3.42Å; H1499-D1501 VanDerWaalsContact C-N 3.28Å; H1499-D1501 PolarHBondContact O-N 3.37Å; H1499-H1502 HydrophobicContact CB-CB 4.25Å; H1499-H1502 AromaticContact ND1-ND1 3.76Å; H1499-H1502 PolarHBondContact O-N 3.06Å; H1499-M1503 WeakPolarHBondContact O-CG 3.29Å; H1499-M1503 PolarHBondContact O-N 3.26Å |
| 1500 | L | 80.9 | Confident | 78.3 | Confident | 62 Ų | 62 | 75 Ų | 75 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -45.2 | -53.5 | 176.3 | 170.2 | 61.6 | 0 | 0 | 0 | 111.4 | L1487 V1489 H1502 M1503 Q1504 | L1487-L1500 HydrophobicContact CD1-CD2 4.25Å; V1489-L1500 HydrophobicContact CG2-CB 4.01Å; V1489-L1500 HydrophobicContact CG2-CD1 3.78Å; V1489-L1500 HydrophobicContact CG2-CG 4.5Å; L1500-H1502 VanDerWaalsContact C-N 3.33Å; L1500-H1502 PolarHBondContact O-N 3.45Å; L1500-M1503 PolarHBondContact O-N 3.14Å; L1500-Q1504 VanDerWaalsContact O-CB 3.31Å; L1500-Q1504 WeakPolarHBondContact O-CB 3.48Å; L1500-Q1504 PolarHBondContact O-N 3.01Å |
| 1501 | D | 80.6 | Confident | 78.2 | Confident | 107 Ų | 107 | 76.3 Ų | 76.3 | 57% | 0.572 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | -173.4 | -36.7 | -66.3 | 0 | 0 | 0 | 111.9 | H1499 A1505 | H1499-D1501 VanDerWaalsContact C-N 3.28Å; H1499-D1501 PolarHBondContact O-N 3.37Å; D1501-A1505 WeakPolarHBondContact O-CB 3.34Å; D1501-A1505 PolarHBondContact O-N 3.34Å |
| 1502 | H | 85.8 | Confident | 78.8 | Confident | 74 Ų | 74 | 79.6 Ų | 79.6 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.4 | -44.1 | 177.3 | -68.4 | -170.1 | 0 | 0 | 0 | 111.5 | C1477 L1479 C1480 H1499 L1500 W1506 | C1477-H1502 PolarHBondContact SG-ND1 3.03Å; L1479-H1502 HydrophobicContact CB-CB 4.3Å; L1479-H1502 HydrophobicContact CD1-CB 4.04Å; L1479-H1502 WeakPolarHBondContact CD1-O 3.45Å; C1480-H1502 PolarHBondContact SG-CE1 3.5Å; C1480-H1502 PolarHBondContact SG-ND1 3.08Å; C1480-H1502 VanDerWaalsContact SG-ND1 3.43Å; H1499-H1502 HydrophobicContact CB-CB 4.25Å; H1499-H1502 AromaticContact ND1-ND1 3.76Å; H1499-H1502 PolarHBondContact O-N 3.06Å; L1500-H1502 VanDerWaalsContact C-N 3.33Å; L1500-H1502 PolarHBondContact O-N 3.45Å; H1502-W1506 PolarHBondContact O-N 3.18Å; H1502-W1506 VanDerWaalsContact O-N 3.16Å |
| 1503 | M | 83 | Confident | 79.5 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.069 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.1 | -64 | -67.4 | 91.1 | 0 | 0 | 111 | A1478 L1479 V1489 G1497 H1499 L1500 W1506 L1507 P1514 | A1478-M1503 HydrophobicContact CB-CE 4.34Å; L1479-M1503 HydrophobicContact CB-CE 4.45Å; L1479-M1503 HydrophobicContact CD1-CE 3.53Å; L1479-M1503 HydrophobicContact CG-CE 3.89Å; V1489-M1503 HydrophobicContact CB-CG 4.3Å; G1497-M1503 VanDerWaalsContact CA-SD 3.58Å; H1499-M1503 WeakPolarHBondContact O-CG 3.29Å; H1499-M1503 PolarHBondContact O-N 3.26Å; L1500-M1503 PolarHBondContact O-N 3.14Å; M1503-W1506 PolarHBondContact O-N 3.49Å; M1503-L1507 WeakPolarHBondContact O-CB 3.45Å; M1503-L1507 WeakPolarHBondContact O-CG 3.46Å; M1503-L1507 PolarHBondContact O-N 2.88Å; M1503-P1514 HydrophobicContact CE-CG 3.78Å; M1503-P1514 HydrophobicContact SD-CG 4.37Å |
| 1504 | Q | 81 | Confident | 80.3 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 177.6 | -173.3 | 174 | -1 | 0 | 0 | 111.6 | L1500 W1506 L1507 M1508 | L1500-Q1504 VanDerWaalsContact O-CB 3.31Å; L1500-Q1504 WeakPolarHBondContact O-CB 3.48Å; L1500-Q1504 PolarHBondContact O-N 3.01Å; Q1504-W1506 VanDerWaalsContact C-N 3.26Å; Q1504-W1506 PolarHBondContact O-N 2.96Å; Q1504-L1507 PolarHBondContact O-N 3.46Å; Q1504-M1508 HydrophobicContact CG-CE 4.33Å; Q1504-M1508 HydrophobicContact CG-CG 4.35Å; Q1504-M1508 WeakPolarHBondContact O-CB 3.44Å; Q1504-M1508 WeakPolarHBondContact O-CG 3.38Å; Q1504-M1508 PolarHBondContact O-N 3.27Å |
| 1505 | A | 82.8 | Confident | 80.4 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -32.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1501 | D1501-A1505 WeakPolarHBondContact O-CB 3.34Å; D1501-A1505 PolarHBondContact O-N 3.34Å |
| 1506 | W | 85.8 | Confident | 80.5 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 24% | 0.242 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.9 | -48.3 | 172.6 | 179.8 | -83.6 | 0 | 0 | 0 | 112.3 | L1479 H1502 M1503 Q1504 M1508 R1509 R1510 E1512 P1514 | L1479-W1506 HydrophobicContact CD1-CB 3.68Å; L1479-W1506 HydrophobicContact CD1-CE3 4.5Å; L1479-W1506 HydrophobicContact CD1-CG 4.25Å; L1479-W1506 HydrophobicContact CD2-CD2 4.21Å; L1479-W1506 HydrophobicContact CD2-CE3 3.64Å; L1479-W1506 HydrophobicContact CD2-CZ3 4.02Å; H1502-W1506 PolarHBondContact O-N 3.18Å; H1502-W1506 VanDerWaalsContact O-N 3.16Å; M1503-W1506 PolarHBondContact O-N 3.49Å; Q1504-W1506 VanDerWaalsContact C-N 3.26Å; Q1504-W1506 PolarHBondContact O-N 2.96Å; W1506-M1508 VanDerWaalsContact C-N 3.26Å; W1506-M1508 PolarHBondContact O-N 2.91Å; W1506-R1509 CarbonylContact O-C 3.3Å; W1506-R1509 WeakPolarHBondContact O-CA 3.48Å; W1506-R1509 PolarHBondContact O-N 3.4Å; W1506-R1510 PolarHBondContact O-N 3.17Å; W1506-E1512 PolarHBondContact NE1-O 3.31Å; W1506-P1514 HydrophobicContact CD2-CB 3.82Å; W1506-P1514 HydrophobicContact CE3-CB 4.31Å; W1506-P1514 HydrophobicContact CG-CB 4.09Å; W1506-P1514 HydrophobicContact CG-CG 4.47Å; W1506-P1514 HydrophobicContact CH2-CB 4.49Å; W1506-P1514 HydrophobicContact CZ2-CB 4.07Å |
| 1507 | L | 79.9 | Confident | 80.4 | Confident | 71 Ų | 71 | 69.4 Ų | 69.4 | 37% | 0.372 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.8 | -25 | -177.2 | -66.6 | 171.2 | 0 | 0 | 0 | 113.2 | M1503 Q1504 R1509 R1510 C1521 | M1503-L1507 WeakPolarHBondContact O-CB 3.45Å; M1503-L1507 WeakPolarHBondContact O-CG 3.46Å; M1503-L1507 PolarHBondContact O-N 2.88Å; Q1504-L1507 PolarHBondContact O-N 3.46Å; L1507-R1509 PolarHBondContact O-N 2.89Å; L1507-R1510 WeakPolarHBondContact CA-O 3.49Å; L1507-C1521 HydrophobicContact CD2-CB 3.64Å |
| 1508 | M | 81.1 | Confident | 79.9 | Confident | 132 Ų | 132 | 72.2 Ų | 72.2 | 65% | 0.65 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.5 | 166.7 | -70.8 | -101.4 | -138.2 | 0 | 0 | 113.4 | Q1504 W1506 | Q1504-M1508 HydrophobicContact CG-CE 4.33Å; Q1504-M1508 HydrophobicContact CG-CG 4.35Å; Q1504-M1508 WeakPolarHBondContact O-CB 3.44Å; Q1504-M1508 WeakPolarHBondContact O-CG 3.38Å; Q1504-M1508 PolarHBondContact O-N 3.27Å; W1506-M1508 VanDerWaalsContact C-N 3.26Å; W1506-M1508 PolarHBondContact O-N 2.91Å |
| 1509 | R | 80.1 | Confident | 79.2 | Confident | 228 Ų | 228 | 76 Ų | 76 | 86% | 0.86 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -24.2 | -173.7 | -63.2 | -177.6 | 178.6 | -170.2 | -0.6 | 114 | W1506 L1507 | W1506-R1509 CarbonylContact O-C 3.3Å; W1506-R1509 WeakPolarHBondContact O-CA 3.48Å; W1506-R1509 PolarHBondContact O-N 3.4Å; L1507-R1509 PolarHBondContact O-N 2.89Å |
| 1510 | R | 77.4 | Confident | 78.7 | Confident | 155 Ų | 155 | 82.5 Ų | 82.5 | 59% | 0.585 | 43% | 0.432 | S | S | * | . | trans | -145.4 | 129.1 | -175.7 | -68 | -177.1 | 174.1 | -169.1 | -3.4 | 110.5 | W1506 L1507 E1512 | W1506-R1510 PolarHBondContact O-N 3.17Å; L1507-R1510 WeakPolarHBondContact CA-O 3.49Å; R1510-E1512 PolarHBondContact O-N 2.94Å | ||
| 1511 | S | 75.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 51% | 0.51 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -74.2 | -5.2 | 177.6 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | R1520 C1521 | S1511-R1520 CarbonylContact O-C 3.37Å; S1511-R1520 VanDerWaalsContact O-CA 3.24Å; S1511-R1520 WeakPolarHBondContact O-CA 3.45Å; S1511-C1521 PolarHBondContact O-N 2.95Å |
| 1512 | E | 80 | Confident | 76.6 | Confident | 87 Ų | 87 | 84.2 Ų | 84.2 | 41% | 0.407 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -110.4 | 155.3 | -171.4 | -69.9 | 175.4 | -178.1 | 0 | 0 | 112.8 | W1506 R1510 H1519 R1520 | W1506-E1512 PolarHBondContact NE1-O 3.31Å; R1510-E1512 PolarHBondContact O-N 2.94Å; E1512-H1519 CarbonylContact C-O 3.58Å; E1512-H1519 WeakPolarHBondContact CA-O 3.3Å; E1512-R1520 HydrophobicContact CG-CG 3.77Å; E1512-R1520 IonicContact OE1-NE 3.47Å; E1512-R1520 PolarHBondContact OE1-NE 3.29Å; E1512-R1520 IonicContact OE1-NH2 3.36Å |
| 1513 | C | 80.5 | Confident | 74.6 | Confident | 6 Ų | 6 | 86.9 Ų | 86.9 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | trans | -63.2 | 133.9 | -174 | -164.7 | 0 | 0 | 0 | 0 | 113.3 | C1494 H1496 T1515 G1516 H1519 C1521 | C1494-C1513 PolarHBondContact SG-SG 3.2Å; H1496-C1513 VanDerWaalsContact CB-SG 3.58Å; C1513-T1515 PolarHBondContact O-N 3.16Å; C1513-T1515 VanDerWaalsContact O-N 3.07Å; C1513-T1515 PolarHBondContact SG-OG1 3.29Å; C1513-T1515 VanDerWaalsContact SG-OG1 3.38Å; C1513-G1516 PolarHBondContact O-N 3.39Å; C1513-H1519 HydrophobicContact CB-CB 4.34Å; C1513-H1519 PolarHBondContact N-O 2.93Å; C1513-C1521 VanDerWaalsContact CB-SG 3.51Å | ||
| 1514 | P | 80.4 | Confident | 72.2 | Confident | 24 Ų | 24 | 95 Ų | 95 | 16% | 0.156 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.4 | -179.9 | 22.9 | -33.5 | 0 | 0 | 0 | 115.6 | A1478 L1479 M1503 W1506 G1516 | A1478-P1514 HydrophobicContact CB-CG 4.33Å; L1479-P1514 HydrophobicContact CD1-CB 4.21Å; L1479-P1514 HydrophobicContact CD1-CG 4.37Å; L1479-P1514 HydrophobicContact CD2-CB 3.54Å; L1479-P1514 HydrophobicContact CD2-CG 4.48Å; L1479-P1514 HydrophobicContact CG-CB 3.74Å; L1479-P1514 HydrophobicContact CG-CG 4.15Å; M1503-P1514 HydrophobicContact CE-CG 3.78Å; M1503-P1514 HydrophobicContact SD-CG 4.37Å; W1506-P1514 HydrophobicContact CD2-CB 3.82Å; W1506-P1514 HydrophobicContact CE3-CB 4.31Å; W1506-P1514 HydrophobicContact CG-CB 4.09Å; W1506-P1514 HydrophobicContact CG-CG 4.47Å; W1506-P1514 HydrophobicContact CH2-CB 4.49Å; W1506-P1514 HydrophobicContact CZ2-CB 4.07Å; P1514-G1516 VanDerWaalsContact C-N 3.3Å |
| 1515 | T | 77.7 | Confident | 71.8 | Confident | 60 Ų | 60 | 95.8 Ų | 95.8 | 37% | 0.368 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 3.3 | 174.5 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | A1478 H1496 C1513 C1517 | A1478-T1515 HydrophobicContact CB-CG2 3.69Å; H1496-T1515 HydrophobicContact CB-CG2 3.98Å; H1496-T1515 PolarHBondContact CE1-OG1 3.16Å; H1496-T1515 VanDerWaalsContact CE1-OG1 3.23Å; H1496-T1515 VanDerWaalsContact CG-OG1 3.27Å; H1496-T1515 PolarHBondContact ND1-OG1 3.11Å; C1513-T1515 PolarHBondContact O-N 3.16Å; C1513-T1515 VanDerWaalsContact O-N 3.07Å; C1513-T1515 PolarHBondContact SG-OG1 3.29Å; C1513-T1515 VanDerWaalsContact SG-OG1 3.38Å; T1515-C1517 VanDerWaalsContact C-N 3.25Å; T1515-C1517 PolarHBondContact O-N 2.98Å |
| 1516 | G | 73.1 | Confident | 71.2 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 70% | 0.701 | 49% | 0.486 | S | S | * | . | trans | 73.5 | 8.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | C1513 P1514 G1518 | C1513-G1516 PolarHBondContact O-N 3.39Å; P1514-G1516 VanDerWaalsContact C-N 3.3Å; G1516-G1518 PolarHBondContact O-N 2.96Å | ||
| 1517 | C | 75 | Confident | 70.4 | Confident | 54 Ų | 54 | 99.7 Ų | 99.7 | 37% | 0.365 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -76.6 | 25.5 | -173.5 | 75.1 | 0 | 0 | 0 | 0 | 115.3 | H1496 T1515 H1519 | H1496-C1517 PolarHBondContact CE1-SG 2.92Å; H1496-C1517 PolarHBondContact ND1-SG 3.47Å; T1515-C1517 VanDerWaalsContact C-N 3.25Å; T1515-C1517 PolarHBondContact O-N 2.98Å; C1517-H1519 PolarHBondContact O-N 3.3Å |
| 1518 | G | 69.5 | Low | 69.8 | Low | 61 Ų | 61 | 101.4 Ų | 101.4 | 63% | 0.629 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 63.1 | -8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | G1516 R1520 | G1516-G1518 PolarHBondContact O-N 2.96Å; G1518-R1520 PolarHBondContact O-N 2.65Å |
| 1519 | H | 69.3 | Low | 69.1 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 37% | 0.37 | 50% | 0.498 | S | S | . | . | trans | -73.5 | 122.1 | -176.8 | -120.6 | 85.7 | 0 | 0 | 0 | 110.6 | G1493 C1494 E1512 C1513 C1517 C1521 | G1493-H1519 VanDerWaalsContact CA-NE2 3.34Å; G1493-H1519 WeakPolarHBondContact CA-NE2 3.48Å; C1494-H1519 HydrophobicContact CB-CB 3.78Å; E1512-H1519 CarbonylContact C-O 3.58Å; E1512-H1519 WeakPolarHBondContact CA-O 3.3Å; C1513-H1519 HydrophobicContact CB-CB 4.34Å; C1513-H1519 PolarHBondContact N-O 2.93Å; C1517-H1519 PolarHBondContact O-N 3.3Å; H1519-C1521 PolarHBondContact O-N 3.21Å | ||
| 1520 | R | 72.9 | Confident | 68.4 | Low | 176 Ų | 176 | 90.9 Ų | 90.9 | 66% | 0.664 | 47% | 0.474 | S | S | * | . | B | Isolated β-bridge | trans | -72.4 | 108.3 | 164.6 | -73.3 | 178.8 | 177 | 179.2 | 0.6 | 108.3 | S1511 E1512 G1518 R1522 | S1511-R1520 CarbonylContact O-C 3.37Å; S1511-R1520 VanDerWaalsContact O-CA 3.24Å; S1511-R1520 WeakPolarHBondContact O-CA 3.45Å; E1512-R1520 HydrophobicContact CG-CG 3.77Å; E1512-R1520 IonicContact OE1-NE 3.47Å; E1512-R1520 PolarHBondContact OE1-NE 3.29Å; E1512-R1520 IonicContact OE1-NH2 3.36Å; G1518-R1520 PolarHBondContact O-N 2.65Å; R1520-R1522 PolarHBondContact O-N 2.71Å |
| 1521 | C | 63.7 | Low | 67.8 | Low | 16 Ų | 16 | 86.3 Ų | 86.3 | 11% | 0.108 | 47% | 0.466 | C | S | . | . | trans | -81 | 38.9 | -174.3 | -71.6 | 0 | 0 | 0 | 0 | 112.6 | C1491 L1507 S1511 C1513 H1519 Y1523 | C1491-C1521 HydrophobicContact CB-CB 4.26Å; L1507-C1521 HydrophobicContact CD2-CB 3.64Å; S1511-C1521 PolarHBondContact O-N 2.95Å; C1513-C1521 VanDerWaalsContact CB-SG 3.51Å; H1519-C1521 PolarHBondContact O-N 3.21Å; C1521-Y1523 PolarHBondContact O-N 2.95Å | ||
| 1522 | R | 54.6 | Low | 67.2 | Low | 189 Ų | 189 | 87.3 Ų | 87.3 | 71% | 0.713 | 46% | 0.463 | S | S | * | . | trans | -80 | 115.7 | 174.4 | -172.8 | 171.6 | 176.4 | 158.1 | -0.1 | 108.8 | R1520 D1524 | R1520-R1522 PolarHBondContact O-N 2.71Å; R1522-D1524 IonicContact CZ-OD1 3.29Å; R1522-D1524 IonicContact NE-OD1 2.67Å; R1522-D1524 PolarHBondContact NE-OD1 2.82Å; R1522-D1524 IonicContact NE-OD2 3.73Å; R1522-D1524 PolarHBondContact NE-OD2 2.86Å; R1522-D1524 IonicContact NH2-OD1 3.65Å; R1522-D1524 PolarHBondContact NH2-OD1 3.48Å | ||
| 1523 | Y | 44 | Very low | 66.1 | Low | 131 Ų | 131 | 87.3 Ų | 87.3 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | trans | -82.4 | 124.7 | 151.5 | -94.5 | -101.9 | 0 | 0 | 0 | 106.3 | R1492 C1521 | R1492-Y1523 VanDerWaalsContact CD-OH 3.25Å; R1492-Y1523 WeakPolarHBondContact CD-OH 3.25Å; R1492-Y1523 WeakPolarHBondContact CG-OH 3.44Å; R1492-Y1523 PolarHBondContact NE-OH 3.44Å; R1492-Y1523 VanDerWaalsContact NE-OH 3.15Å; C1521-Y1523 PolarHBondContact O-N 2.95Å | ||
| 1524 | D | 32.4 | Very low | 64.8 | Low | 183 Ų | 183 | 94.7 Ų | 94.7 | 98% | 0.979 | 51% | 0.506 | S | S | * | . | trans | -95.9 | 0 | 141.8 | -55.3 | -55.7 | 0 | 0 | 0 | 106.3 | R1522 | R1522-D1524 IonicContact CZ-OD1 3.29Å; R1522-D1524 IonicContact NE-OD1 2.67Å; R1522-D1524 PolarHBondContact NE-OD1 2.82Å; R1522-D1524 IonicContact NE-OD2 3.73Å; R1522-D1524 PolarHBondContact NE-OD2 2.86Å; R1522-D1524 IonicContact NH2-OD1 3.65Å; R1522-D1524 PolarHBondContact NH2-OD1 3.48Å |
Retrieved 1,524 of 1,524 residues in 601.4 ms
(Link to these results)