| 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 | 60.3 | Low | 82.1 | Confident | 242 Ų | 242 | 121.1 Ų | 121.1 | 100% | 1.192 | 57% | 0.565 | S | S | * | * | 0 | 150.6 | 0 | -65.1 | -177 | -75 | 0 | 0 | 107.7 | |||||
| 2 | E | 77.5 | Confident | 82.2 | Confident | 111 Ų | 111 | 119.8 Ų | 119.8 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | trans | -72.6 | 148.4 | 169.1 | -64.4 | -176.3 | -173.5 | 0 | 0 | 109.3 | K10 | E2-K10 IonicContact OE1-NZ 2.71Å; E2-K10 PolarHBondContact OE1-NZ 2.98Å; E2-K10 VanDerWaalsContact OE2-CD 3.31Å; E2-K10 WeakPolarHBondContact OE2-CD 3.47Å; E2-K10 IonicContact OE2-NZ 2.67Å; E2-K10 PolarHBondContact OE2-NZ 3.11Å | ||
| 3 | E | 86.4 | Confident | 82.2 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | trans | -64.1 | 140.4 | 176.6 | -68.9 | 153.9 | 139.5 | 0 | 0 | 109.7 | E5 K6 F7 | E3-E5 PolarHBondContact O-N 2.98Å; E3-E5 VanDerWaalsContact O-N 3.14Å; E3-K6 PolarHBondContact O-N 3.06Å; E3-K6 VanDerWaalsContact O-N 3.11Å; E3-K6 WeakPolarHBondContact OE2-CD 3.41Å; E3-K6 WeakPolarHBondContact OE2-CE 3.35Å; E3-K6 IonicContact OE2-NZ 2.64Å; E3-K6 PolarHBondContact OE2-NZ 3.37Å; E3-F7 PolarHBondContact O-N 3.4Å | ||
| 4 | Y | 81.9 | Confident | 82 | Confident | 189 Ų | 189 | 116.8 Ų | 116.8 | 74% | 0.741 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -57 | -36.1 | -171.7 | 179.5 | -99.9 | 0 | 0 | 0 | 112.9 | F7 C8 | Y4-F7 PolarHBondContact O-N 3.06Å; Y4-C8 VanDerWaalsContact CE1-SG 3.57Å; Y4-C8 PolarHBondContact O-N 3.22Å; Y4-C8 PolarHBondContact O-SG 3.15Å |
| 5 | E | 89.6 | Confident | 81.6 | Confident | 149 Ų | 149 | 116.2 Ų | 116.2 | 70% | 0.696 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.5 | -51.1 | 177 | -163 | 150.9 | -134.4 | 0 | 0 | 111.5 | E3 F7 C8 E9 | E3-E5 PolarHBondContact O-N 2.98Å; E3-E5 VanDerWaalsContact O-N 3.14Å; E5-F7 VanDerWaalsContact C-N 3.28Å; E5-F7 PolarHBondContact O-N 3.2Å; E5-C8 CarbonylContact O-C 3.51Å; E5-C8 WeakPolarHBondContact O-CA 3.42Å; E5-C8 WeakPolarHBondContact O-CB 3.46Å; E5-C8 PolarHBondContact O-N 3.34Å; E5-E9 WeakPolarHBondContact O-CG 3.1Å; E5-E9 PolarHBondContact O-N 3.39Å |
| 6 | K | 85.3 | Confident | 81 | Confident | 113 Ų | 113 | 116.8 Ų | 116.8 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.9 | -36.6 | 172.3 | -73.3 | 176.9 | -175.1 | 149.4 | 0 | 112.7 | E3 K10 | E3-K6 PolarHBondContact O-N 3.06Å; E3-K6 VanDerWaalsContact O-N 3.11Å; E3-K6 WeakPolarHBondContact OE2-CD 3.41Å; E3-K6 WeakPolarHBondContact OE2-CE 3.35Å; E3-K6 IonicContact OE2-NZ 2.64Å; E3-K6 PolarHBondContact OE2-NZ 3.37Å; K6-K10 WeakPolarHBondContact O-CB 3.39Å; K6-K10 PolarHBondContact O-N 2.84Å |
| 7 | F | 89.7 | Confident | 80 | Confident | 116 Ų | 116 | 117.4 Ų | 117.4 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -40.7 | 173.5 | 174.4 | -95.2 | 0 | 0 | 0 | 111.8 | E3 Y4 E5 S11 | E3-F7 PolarHBondContact O-N 3.4Å; Y4-F7 PolarHBondContact O-N 3.06Å; E5-F7 VanDerWaalsContact C-N 3.28Å; E5-F7 PolarHBondContact O-N 3.2Å; F7-S11 VanDerWaalsContact O-CB 3.25Å; F7-S11 WeakPolarHBondContact O-CB 3.2Å; F7-S11 PolarHBondContact O-N 3.46Å; F7-S11 PolarHBondContact O-OG 2.87Å |
| 8 | C | 79.7 | Confident | 78.5 | Confident | 42 Ų | 42 | 114.1 Ų | 114.1 | 28% | 0.284 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -49.1 | 174.7 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | Y4 E5 K10 S11 L12 | Y4-C8 VanDerWaalsContact CE1-SG 3.57Å; Y4-C8 PolarHBondContact O-N 3.22Å; Y4-C8 PolarHBondContact O-SG 3.15Å; E5-C8 CarbonylContact O-C 3.51Å; E5-C8 WeakPolarHBondContact O-CA 3.42Å; E5-C8 WeakPolarHBondContact O-CB 3.46Å; E5-C8 PolarHBondContact O-N 3.34Å; C8-K10 PolarHBondContact O-N 2.84Å; C8-S11 WeakPolarHBondContact O-CB 3.5Å; C8-S11 PolarHBondContact O-N 3.27Å; C8-S11 VanDerWaalsContact O-N 3.16Å; C8-L12 WeakPolarHBondContact O-CB 3.35Å; C8-L12 WeakPolarHBondContact O-CG 3.38Å; C8-L12 PolarHBondContact O-N 2.81Å |
| 9 | E | 88.8 | Confident | 77.2 | Confident | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -56.8 | -50.6 | 176.4 | -69 | 175.1 | 149.5 | 0 | 0 | 111.6 | E5 S11 L12 A13 | E5-E9 WeakPolarHBondContact O-CG 3.1Å; E5-E9 PolarHBondContact O-N 3.39Å; E9-S11 PolarHBondContact O-N 2.95Å; E9-L12 PolarHBondContact O-N 3.37Å; E9-L12 VanDerWaalsContact O-N 3.17Å; E9-A13 WeakPolarHBondContact O-CB 3.32Å; E9-A13 PolarHBondContact O-N 3.42Å |
| 10 | K | 86.3 | Confident | 75.8 | Confident | 96 Ų | 96 | 111.7 Ų | 111.7 | 42% | 0.417 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69 | -16.3 | 179.1 | -170.4 | 174 | 179.3 | 177.3 | 0 | 113.7 | E2 K6 C8 R14 | E2-K10 IonicContact OE1-NZ 2.71Å; E2-K10 PolarHBondContact OE1-NZ 2.98Å; E2-K10 VanDerWaalsContact OE2-CD 3.31Å; E2-K10 WeakPolarHBondContact OE2-CD 3.47Å; E2-K10 IonicContact OE2-NZ 2.67Å; E2-K10 PolarHBondContact OE2-NZ 3.11Å; K6-K10 WeakPolarHBondContact O-CB 3.39Å; K6-K10 PolarHBondContact O-N 2.84Å; C8-K10 PolarHBondContact O-N 2.84Å; K10-R14 WeakPolarHBondContact O-CB 3.26Å |
| 11 | S | 78.1 | Confident | 74.2 | Confident | 38 Ų | 38 | 110 Ų | 110 | 27% | 0.266 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -85.4 | -43 | 169.3 | -62 | 0 | 0 | 0 | 0 | 111.3 | F7 C8 E9 R14 I15 | F7-S11 VanDerWaalsContact O-CB 3.25Å; F7-S11 WeakPolarHBondContact O-CB 3.2Å; F7-S11 PolarHBondContact O-N 3.46Å; F7-S11 PolarHBondContact O-OG 2.87Å; C8-S11 WeakPolarHBondContact O-CB 3.5Å; C8-S11 PolarHBondContact O-N 3.27Å; C8-S11 VanDerWaalsContact O-N 3.16Å; E9-S11 PolarHBondContact O-N 2.95Å; S11-R14 PolarHBondContact O-N 3.23Å; S11-I15 WeakPolarHBondContact O-CD1 3.31Å; S11-I15 VanDerWaalsContact O-CG1 3.27Å; S11-I15 WeakPolarHBondContact O-CG1 3.37Å; S11-I15 PolarHBondContact O-N 2.88Å |
| 12 | L | 82.6 | Confident | 73.3 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 176.4 | -72 | 169.1 | 0 | 0 | 0 | 111.8 | C8 E9 R14 I15 Q16 | C8-L12 WeakPolarHBondContact O-CB 3.35Å; C8-L12 WeakPolarHBondContact O-CG 3.38Å; C8-L12 PolarHBondContact O-N 2.81Å; E9-L12 PolarHBondContact O-N 3.37Å; E9-L12 VanDerWaalsContact O-N 3.17Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 3.31Å; L12-I15 PolarHBondContact O-N 3.48Å; L12-I15 VanDerWaalsContact O-N 3.16Å; L12-Q16 WeakPolarHBondContact O-CG 3.14Å; L12-Q16 PolarHBondContact O-N 3.43Å |
| 13 | A | 82.3 | Confident | 71.3 | Confident | 41 Ų | 41 | 105.1 Ų | 105.1 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.8 | -47.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | E9 I15 Q16 E17 | E9-A13 WeakPolarHBondContact O-CB 3.32Å; E9-A13 PolarHBondContact O-N 3.42Å; A13-I15 VanDerWaalsContact C-N 3.29Å; A13-I15 PolarHBondContact O-N 2.87Å; A13-Q16 CarbonylContact O-C 3.59Å; A13-Q16 WeakPolarHBondContact O-CA 3.43Å; A13-Q16 WeakPolarHBondContact O-CB 3.46Å; A13-Q16 PolarHBondContact O-N 3.39Å; A13-E17 WeakPolarHBondContact O-CG 3.34Å; A13-E17 PolarHBondContact O-N 3.22Å |
| 14 | R | 79.8 | Confident | 68.9 | Low | 156 Ų | 156 | 103.2 Ų | 103.2 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -32.1 | 177.8 | -163.6 | -171.8 | -51.3 | -117.5 | 3.8 | 113.2 | K10 S11 L12 A18 | K10-R14 WeakPolarHBondContact O-CB 3.26Å; S11-R14 PolarHBondContact O-N 3.23Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 3.31Å; R14-A18 VanDerWaalsContact O-CB 3.31Å; R14-A18 WeakPolarHBondContact O-CB 3.37Å; R14-A18 PolarHBondContact O-N 3.23Å |
| 15 | I | 76.1 | Confident | 66.7 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 55% | 0.554 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.8 | -37.5 | 173.5 | -69 | 162.9 | 0 | 0 | 0 | 110.9 | S11 L12 A13 S19 | S11-I15 WeakPolarHBondContact O-CD1 3.31Å; S11-I15 VanDerWaalsContact O-CG1 3.27Å; S11-I15 WeakPolarHBondContact O-CG1 3.37Å; S11-I15 PolarHBondContact O-N 2.88Å; L12-I15 PolarHBondContact O-N 3.48Å; L12-I15 VanDerWaalsContact O-N 3.16Å; A13-I15 VanDerWaalsContact C-N 3.29Å; A13-I15 PolarHBondContact O-N 2.87Å; I15-S19 PolarHBondContact O-N 2.97Å; I15-S19 PolarHBondContact O-OG 3.47Å |
| 16 | Q | 71.1 | Confident | 64.2 | Low | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.3 | -41.6 | 174.3 | -72.4 | 175.9 | -23.7 | 0 | 0 | 111.9 | L12 A13 A18 S19 L20 | L12-Q16 WeakPolarHBondContact O-CG 3.14Å; L12-Q16 PolarHBondContact O-N 3.43Å; A13-Q16 CarbonylContact O-C 3.59Å; A13-Q16 WeakPolarHBondContact O-CA 3.43Å; A13-Q16 WeakPolarHBondContact O-CB 3.46Å; A13-Q16 PolarHBondContact O-N 3.39Å; Q16-A18 PolarHBondContact O-N 3.48Å; Q16-S19 WeakPolarHBondContact O-CA 3.31Å; Q16-S19 VanDerWaalsContact O-CB 3.3Å; Q16-S19 WeakPolarHBondContact O-CB 3.5Å; Q16-S19 PolarHBondContact O-N 2.94Å; Q16-L20 WeakPolarHBondContact O-CG 3.39Å; Q16-L20 PolarHBondContact O-N 3.25Å |
| 17 | E | 64 | Low | 61.9 | Low | 127 Ų | 127 | 101.8 Ų | 101.8 | 59% | 0.593 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 172.3 | -72.1 | 176 | 152.4 | 0 | 0 | 111.8 | A13 S19 L20 S21 | A13-E17 WeakPolarHBondContact O-CG 3.34Å; A13-E17 PolarHBondContact O-N 3.22Å; E17-S19 PolarHBondContact O-N 3.22Å; E17-L20 PolarHBondContact O-N 3.31Å; E17-S21 VanDerWaalsContact O-CB 3.27Å; E17-S21 WeakPolarHBondContact O-CB 3.4Å; E17-S21 PolarHBondContact O-N 2.88Å; E17-S21 PolarHBondContact O-OG 2.78Å |
| 18 | A | 54.1 | Low | 59.4 | Low | 58 Ų | 58 | 100.9 Ų | 100.9 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -27.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | R14 Q16 S21 T22 | R14-A18 VanDerWaalsContact O-CB 3.31Å; R14-A18 WeakPolarHBondContact O-CB 3.37Å; R14-A18 PolarHBondContact O-N 3.23Å; Q16-A18 PolarHBondContact O-N 3.48Å; A18-S21 PolarHBondContact O-OG 2.82Å; A18-T22 PolarHBondContact O-OG1 3.1Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å |
| 19 | S | 52.5 | Low | 57.9 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75.4 | -52 | 173.7 | -53 | 0 | 0 | 0 | 0 | 110.8 | I15 Q16 E17 S21 T22 | I15-S19 PolarHBondContact O-N 2.97Å; I15-S19 PolarHBondContact O-OG 3.47Å; Q16-S19 WeakPolarHBondContact O-CA 3.31Å; Q16-S19 VanDerWaalsContact O-CB 3.3Å; Q16-S19 WeakPolarHBondContact O-CB 3.5Å; Q16-S19 PolarHBondContact O-N 2.94Å; E17-S19 PolarHBondContact O-N 3.22Å; S19-S21 PolarHBondContact O-N 2.9Å; S19-T22 WeakPolarHBondContact O-CB 3.38Å; S19-T22 PolarHBondContact O-N 3.32Å; S19-T22 VanDerWaalsContact O-N 3.16Å |
| 20 | L | 49.9 | Very low | 55.7 | Low | 110 Ų | 110 | 106.6 Ų | 106.6 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.7 | -34.8 | -176.5 | -68.5 | 167.3 | 0 | 0 | 0 | 113.2 | Q16 E17 T22 E23 S24 | Q16-L20 WeakPolarHBondContact O-CG 3.39Å; Q16-L20 PolarHBondContact O-N 3.25Å; E17-L20 PolarHBondContact O-N 3.31Å; L20-T22 PolarHBondContact O-N 2.98Å; L20-E23 PolarHBondContact O-N 3.02Å; L20-S24 PolarHBondContact O-N 2.76Å |
| 21 | S | 41.9 | Very low | 54 | Low | 77 Ų | 77 | 109.9 Ų | 109.9 | 54% | 0.538 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.8 | -11.5 | 175 | 54 | 0 | 0 | 0 | 0 | 114.1 | E17 A18 S19 | E17-S21 VanDerWaalsContact O-CB 3.27Å; E17-S21 WeakPolarHBondContact O-CB 3.4Å; E17-S21 PolarHBondContact O-N 2.88Å; E17-S21 PolarHBondContact O-OG 2.78Å; A18-S21 PolarHBondContact O-OG 2.82Å; S19-S21 PolarHBondContact O-N 2.9Å |
| 22 | T | 41.5 | Very low | 53.2 | Low | 120 Ų | 120 | 112.6 Ų | 112.6 | 74% | 0.736 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -14.8 | 169.3 | -53.7 | 0 | 0 | 0 | 0 | 112 | A18 S19 L20 | A18-T22 PolarHBondContact O-OG1 3.1Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å; S19-T22 WeakPolarHBondContact O-CB 3.38Å; S19-T22 PolarHBondContact O-N 3.32Å; S19-T22 VanDerWaalsContact O-N 3.16Å; L20-T22 PolarHBondContact O-N 2.98Å |
| 23 | E | 36.2 | Very low | 52.3 | Low | 129 Ų | 129 | 112.9 Ų | 112.9 | 60% | 0.603 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -10.8 | -170.5 | -157.7 | 159.8 | -136.8 | 0 | 0 | 113.4 | L20 F25 | L20-E23 PolarHBondContact O-N 3.02Å; E23-F25 VanDerWaalsContact C-N 3.26Å; E23-F25 PolarHBondContact O-N 3.02Å |
| 24 | S | 35.7 | Very low | 51.8 | Low | 81 Ų | 81 | 112.3 Ų | 112.3 | 57% | 0.566 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -75.3 | -0.6 | -178.8 | 57.5 | 0 | 0 | 0 | 0 | 115.9 | L20 | L20-S24 PolarHBondContact O-N 2.76Š|
| 25 | F | 35.1 | Very low | 51.6 | Low | 182 Ų | 182 | 113 Ų | 113 | 80% | 0.798 | 64% | 0.635 | S | S | * | * | trans | -127.1 | 71.3 | 174.9 | -69.5 | -75.3 | 0 | 0 | 0 | 111.8 | E23 P27 | E23-F25 VanDerWaalsContact C-N 3.26Å; E23-F25 PolarHBondContact O-N 3.02Å; F25-P27 VanDerWaalsContact O-CD 3.32Å; F25-P27 WeakPolarHBondContact O-CD 3.34Å | ||
| 26 | L | 37 | Very low | 51.7 | Low | 138 Ų | 138 | 113.1 Ų | 113.1 | 72% | 0.723 | 64% | 0.635 | S | S | * | * | trans | -99.9 | 102.5 | 163.7 | -67.1 | -179.7 | 0 | 0 | 0 | 110.4 | ||||
| 27 | P | 36.6 | Very low | 52.3 | Low | 100 Ų | 100 | 115 Ų | 115 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | trans | -58.4 | 140.7 | 159.8 | -19.7 | 32.1 | 0 | 0 | 0 | 109.8 | F25 Q29 | F25-P27 VanDerWaalsContact O-CD 3.32Å; F25-P27 WeakPolarHBondContact O-CD 3.34Å; P27-Q29 PolarHBondContact O-N 3.17Å | ||
| 28 | A | 38.3 | Very low | 52.6 | Low | 98 Ų | 98 | 115.6 Ų | 115.6 | 81% | 0.81 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 129.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S30 | A28-S30 PolarHBondContact O-N 3.42Š|
| 29 | Q | 48.8 | Very low | 53.4 | Low | 185 Ų | 185 | 122 Ų | 122 | 86% | 0.864 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.9 | 50.6 | 169.8 | -59.2 | -67 | -7.1 | 0 | 0 | 114.8 | P27 E31 | P27-Q29 PolarHBondContact O-N 3.17Å; Q29-E31 PolarHBondContact O-N 2.78Å |
| 30 | S | 41.2 | Very low | 54.7 | Low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | trans | -60.5 | 124.1 | 166.7 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | A28 | A28-S30 PolarHBondContact O-N 3.42Š| ||
| 31 | E | 51.1 | Low | 56 | Low | 164 Ų | 164 | 120.9 Ų | 120.9 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | trans | -56.9 | 148.7 | -175.7 | -60.8 | -176.7 | 130.6 | 0 | 0 | 111.3 | Q29 I33 | Q29-E31 PolarHBondContact O-N 2.78Å; E31-I33 PolarHBondContact O-N 3.09Å | ||
| 32 | S | 60.5 | Low | 57.9 | Low | 95 Ų | 95 | 118.6 Ų | 118.6 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | trans | -73 | 74.7 | -176.1 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | S45 | S32-S45 PolarHBondContact O-OG 2.89Å; S32-S45 PolarHBondContact OG-OG 3.42Å | ||
| 33 | I | 64.8 | Low | 59.8 | Low | 113 Ų | 113 | 116.2 Ų | 116.2 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | trans | -74.3 | 127.3 | 175.6 | -64 | 164.2 | 0 | 0 | 0 | 108.8 | E31 L35 A42 | E31-I33 PolarHBondContact O-N 3.09Å; I33-L35 PolarHBondContact O-N 3.48Å; I33-A42 HydrophobicContact CG2-CB 3.45Å; I33-A42 VanDerWaalsContact CG2-CB 3.45Å | ||
| 34 | S | 70.9 | Confident | 61.7 | Low | 28 Ų | 28 | 117.5 Ų | 117.5 | 20% | 0.196 | 64% | 0.64 | C | S | . | * | trans | -66.6 | 133.4 | 179.2 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | I36 A42 I43 | S34-I36 PolarHBondContact O-N 2.95Å; S34-I36 PolarHBondContact OG-N 3.11Å; S34-I36 VanDerWaalsContact OG-N 3.15Å; S34-A42 WeakPolarHBondContact O-CB 3.33Å; S34-I43 WeakPolarHBondContact CB-O 3.42Å | ||
| 35 | L | 76.6 | Confident | 63.4 | Low | 172 Ų | 172 | 116 Ų | 116 | 90% | 0.901 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -65.9 | -19.8 | 168.9 | -62 | 178.2 | 0 | 0 | 0 | 112.1 | I33 | I33-L35 PolarHBondContact O-N 3.48Š|
| 36 | I | 77.2 | Confident | 65.2 | Low | 109 Ų | 109 | 112 Ų | 112 | 56% | 0.559 | 62% | 0.622 | S | S | * | * | trans | -81.9 | 120.5 | 174.4 | -46.6 | 177.7 | 0 | 0 | 0 | 108.2 | S34 I43 | S34-I36 PolarHBondContact O-N 2.95Å; S34-I36 PolarHBondContact OG-N 3.11Å; S34-I36 VanDerWaalsContact OG-N 3.15Å; I36-I43 HydrophobicContact CB-CD1 3.86Å; I36-I43 HydrophobicContact CB-CG1 4.46Å; I36-I43 HydrophobicContact CG2-CD1 3.51Å; I36-I43 HydrophobicContact CG2-CG1 4.39Å; I36-I43 WeakPolarHBondContact O-CG1 3.38Å; I36-I43 PolarHBondContact O-N 2.9Å | ||
| 37 | R | 85 | Confident | 67 | Low | 164 Ų | 164 | 113.8 Ų | 113.8 | 62% | 0.619 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.2 | -178.3 | -61.5 | 178.3 | 178 | -133.1 | 9.1 | 111.5 | G40 V41 A42 | R37-G40 WeakPolarHBondContact CD-O 3.48Å; R37-G40 PolarHBondContact NH1-O 3.18Å; R37-V41 CarbonylContact C-O 3.46Å; R37-V41 WeakPolarHBondContact CA-O 3.49Å; R37-V41 WeakPolarHBondContact CB-O 3.29Å; R37-A42 HydrophobicContact CG-CB 4.36Å |
| 38 | F | 69.3 | Low | 69.1 | Low | 141 Ų | 141 | 110.9 Ų | 110.9 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.7 | 166.4 | -81.1 | -77.6 | 0 | 0 | 0 | 108.8 | G40 V41 I43 | F38-G40 PolarHBondContact O-N 2.85Å; F38-G40 VanDerWaalsContact O-N 3.1Å; F38-V41 PolarHBondContact N-O 3.3Å; F38-V41 PolarHBondContact O-N 2.91Å; F38-I43 HydrophobicContact CD2-CD1 3.67Å; F38-I43 HydrophobicContact CD2-CG1 3.86Å; F38-I43 HydrophobicContact CE2-CD1 3.65Å; F38-I43 HydrophobicContact CE2-CG1 4.35Å |
| 39 | H | 70.8 | Confident | 71.5 | Confident | 192 Ų | 192 | 111.2 Ų | 111.2 | 89% | 0.889 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.2 | 34.4 | -176.7 | -57.2 | -82.8 | 0 | 0 | 0 | 114.2 | V41 | H39-V41 PolarHBondContact O-N 3.37Š|
| 40 | G | 80.1 | Confident | 73.3 | Confident | 51 Ų | 51 | 107.2 Ų | 107.2 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85 | -21.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R37 F38 | R37-G40 WeakPolarHBondContact CD-O 3.48Å; R37-G40 PolarHBondContact NH1-O 3.18Å; F38-G40 PolarHBondContact O-N 2.85Å; F38-G40 VanDerWaalsContact O-N 3.1Å |
| 41 | V | 77.8 | Confident | 75.6 | Confident | 107 Ų | 107 | 110 Ų | 110 | 65% | 0.648 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.3 | 177.8 | -174.2 | 0 | 0 | 0 | 0 | 110 | R37 F38 H39 | R37-V41 CarbonylContact C-O 3.46Å; R37-V41 WeakPolarHBondContact CA-O 3.49Å; R37-V41 WeakPolarHBondContact CB-O 3.29Å; F38-V41 PolarHBondContact N-O 3.3Å; F38-V41 PolarHBondContact O-N 2.91Å; H39-V41 PolarHBondContact O-N 3.37Å |
| 42 | A | 81.4 | Confident | 77.2 | Confident | 28 Ų | 28 | 107.5 Ų | 107.5 | 23% | 0.231 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.3 | 140.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I33 S34 R37 | I33-A42 HydrophobicContact CG2-CB 3.45Å; I33-A42 VanDerWaalsContact CG2-CB 3.45Å; S34-A42 WeakPolarHBondContact O-CB 3.33Å; R37-A42 HydrophobicContact CG-CB 4.36Å |
| 43 | I | 81.5 | Confident | 78.4 | Confident | 71 Ų | 71 | 110.2 Ų | 110.2 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 139.2 | 171.4 | -57 | 175.3 | 0 | 0 | 0 | 108.7 | S34 I36 F38 S45 | S34-I43 WeakPolarHBondContact CB-O 3.42Å; I36-I43 HydrophobicContact CB-CD1 3.86Å; I36-I43 HydrophobicContact CB-CG1 4.46Å; I36-I43 HydrophobicContact CG2-CD1 3.51Å; I36-I43 HydrophobicContact CG2-CG1 4.39Å; I36-I43 WeakPolarHBondContact O-CG1 3.38Å; I36-I43 PolarHBondContact O-N 2.9Å; F38-I43 HydrophobicContact CD2-CD1 3.67Å; F38-I43 HydrophobicContact CD2-CG1 3.86Å; F38-I43 HydrophobicContact CE2-CD1 3.65Å; F38-I43 HydrophobicContact CE2-CG1 4.35Å; I43-S45 PolarHBondContact O-N 3.4Å |
| 44 | L | 77.1 | Confident | 79.7 | Confident | 156 Ų | 156 | 111.7 Ų | 111.7 | 82% | 0.817 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138.3 | 172.9 | -63.8 | 175.1 | 0 | 0 | 0 | 110.7 | ||
| 45 | S | 70.2 | Confident | 80.7 | Confident | 50 Ų | 50 | 115.7 Ų | 115.7 | 35% | 0.35 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 139.1 | 173.1 | -99.4 | 0 | 0 | 0 | 0 | 110.6 | S32 I43 L47 | S32-S45 PolarHBondContact O-OG 2.89Å; S32-S45 PolarHBondContact OG-OG 3.42Å; I43-S45 PolarHBondContact O-N 3.4Å; S45-L47 PolarHBondContact O-N 3.43Å |
| 46 | P | 72.3 | Confident | 81.3 | Confident | 98 Ų | 98 | 112.1 Ų | 112.1 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 128.8 | -178.5 | -28.3 | 35.7 | 0 | 0 | 0 | 112.5 | L48 | P46-L48 VanDerWaalsContact C-N 3.27Å; P46-L48 HydrophobicContact CB-CD1 4.16Å; P46-L48 HydrophobicContact CB-CG 4.07Å; P46-L48 PolarHBondContact O-N 3.46Å |
| 47 | L | 76.7 | Confident | 81.9 | Confident | 174 Ų | 174 | 113.5 Ų | 113.5 | 91% | 0.911 | 57% | 0.573 | S | S | * | * | trans | -71.3 | 83 | 179 | -64.9 | 179.2 | 0 | 0 | 0 | 110.5 | S45 | S45-L47 PolarHBondContact O-N 3.43Š| ||
| 48 | L | 80.2 | Confident | 82.4 | Confident | 40 Ų | 40 | 111.2 Ų | 111.2 | 21% | 0.209 | 57% | 0.569 | C | S | . | * | trans | -103.4 | 124.5 | -179.1 | -64.8 | 167.2 | 0 | 0 | 0 | 110.4 | P46 K52 R53 M56 | P46-L48 VanDerWaalsContact C-N 3.27Å; P46-L48 HydrophobicContact CB-CD1 4.16Å; P46-L48 HydrophobicContact CB-CG 4.07Å; P46-L48 PolarHBondContact O-N 3.46Å; L48-K52 HydrophobicContact CB-CB 4.46Å; L48-K52 HydrophobicContact CD2-CB 4.1Å; L48-R53 HydrophobicContact CB-CG 3.75Å; L48-R53 PolarHBondContact O-NE 2.87Å; L48-R53 PolarHBondContact O-NH2 3.32Å; L48-M56 HydrophobicContact CD1-CE 3.52Å; L48-M56 HydrophobicContact CD1-SD 3.52Å; L48-M56 VanDerWaalsContact CD1-SD 3.52Å; L48-M56 HydrophobicContact CD2-SD 4Å; L48-M56 HydrophobicContact CG-SD 4.43Å | ||
| 49 | N | 88.9 | Confident | 83.6 | Confident | 105 Ų | 105 | 110.2 Ų | 110.2 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | trans | -59.9 | 155.2 | 167.2 | -63.4 | 11.9 | 0 | 0 | 0 | 110.3 | E51 K52 R53 | N49-E51 PolarHBondContact O-N 2.92Å; N49-K52 PolarHBondContact O-N 3.47Å; N49-R53 PolarHBondContact O-N 3.22Å | ||
| 50 | V | 85.6 | Confident | 84.8 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 61% | 0.606 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -55 | -39.2 | -176.5 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | R53 K54 | V50-R53 PolarHBondContact O-N 2.74Å; V50-K54 PolarHBondContact O-N 3.05Å; V50-K54 VanDerWaalsContact O-N 3.1Å |
| 51 | E | 88.9 | Confident | 85.5 | Confident | 151 Ų | 151 | 110.3 Ų | 110.3 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.8 | -50.4 | 174.8 | -63.4 | 164.9 | 161.7 | 0 | 0 | 112 | N49 R53 K54 E55 | N49-E51 PolarHBondContact O-N 2.92Å; E51-R53 VanDerWaalsContact C-N 3.26Å; E51-R53 PolarHBondContact O-N 3.12Å; E51-K54 WeakPolarHBondContact O-CA 3.18Å; E51-K54 WeakPolarHBondContact O-CB 3.17Å; E51-K54 PolarHBondContact O-N 2.98Å; E51-E55 PolarHBondContact O-N 3.44Å |
| 52 | K | 86.3 | Confident | 86.4 | Confident | 112 Ų | 112 | 110.3 Ų | 110.3 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -28.8 | 178.6 | -65.4 | -172.5 | 175.8 | -177.7 | 0 | 112.8 | L48 N49 M56 | L48-K52 HydrophobicContact CB-CB 4.46Å; L48-K52 HydrophobicContact CD2-CB 4.1Å; N49-K52 PolarHBondContact O-N 3.47Å; K52-M56 WeakPolarHBondContact O-CB 3.45Å; K52-M56 PolarHBondContact O-N 2.96Å |
| 53 | R | 85.9 | Confident | 86.9 | Confident | 152 Ų | 152 | 111.8 Ų | 111.8 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.1 | -44.2 | 170.8 | -62.4 | -178.5 | -158.6 | -170.6 | 4.5 | 111.2 | L48 N49 V50 E51 Q57 | L48-R53 HydrophobicContact CB-CG 3.75Å; L48-R53 PolarHBondContact O-NE 2.87Å; L48-R53 PolarHBondContact O-NH2 3.32Å; N49-R53 PolarHBondContact O-N 3.22Å; V50-R53 PolarHBondContact O-N 2.74Å; E51-R53 VanDerWaalsContact C-N 3.26Å; E51-R53 PolarHBondContact O-N 3.12Å; R53-Q57 VanDerWaalsContact O-CB 3.26Å; R53-Q57 WeakPolarHBondContact O-CB 3.31Å; R53-Q57 PolarHBondContact O-N 3.46Å |
| 54 | K | 90.6 | Very high | 87.6 | Confident | 144 Ų | 144 | 112.5 Ų | 112.5 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.7 | -41.8 | 174.8 | -69 | 177.9 | 177.9 | -178.1 | 0 | 111.8 | V50 E51 Q57 Q58 | V50-K54 PolarHBondContact O-N 3.05Å; V50-K54 VanDerWaalsContact O-N 3.1Å; E51-K54 WeakPolarHBondContact O-CA 3.18Å; E51-K54 WeakPolarHBondContact O-CB 3.17Å; E51-K54 PolarHBondContact O-N 2.98Å; K54-Q57 PolarHBondContact O-N 2.98Å; K54-Q58 PolarHBondContact O-N 3.42Å |
| 55 | E | 91.9 | Very high | 88.4 | Confident | 112 Ų | 112 | 108.2 Ų | 108.2 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.2 | -56.9 | 174.5 | -176 | 177.5 | -149.3 | 0 | 0 | 111.1 | E51 Q57 Q58 E59 | E51-E55 PolarHBondContact O-N 3.44Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 2.93Å; E55-Q58 WeakPolarHBondContact O-CB 3.16Å; E55-Q58 PolarHBondContact O-N 3.05Å; E55-E59 PolarHBondContact O-N 3.26Å |
| 56 | M | 89.4 | Confident | 89.6 | Confident | 97 Ų | 97 | 109.8 Ų | 109.8 | 48% | 0.478 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.2 | -33 | 176.1 | -80.1 | -179.3 | 27 | 0 | 0 | 113.4 | L48 K52 K60 | L48-M56 HydrophobicContact CD1-CE 3.52Å; L48-M56 HydrophobicContact CD1-SD 3.52Å; L48-M56 VanDerWaalsContact CD1-SD 3.52Å; L48-M56 HydrophobicContact CD2-SD 4Å; L48-M56 HydrophobicContact CG-SD 4.43Å; K52-M56 WeakPolarHBondContact O-CB 3.45Å; K52-M56 PolarHBondContact O-N 2.96Å; M56-K60 VanDerWaalsContact O-CB 3.27Å; M56-K60 WeakPolarHBondContact O-CB 3.48Å; M56-K60 PolarHBondContact O-N 2.83Å |
| 57 | Q | 90.3 | Very high | 90.6 | Very high | 139 Ų | 139 | 109.9 Ų | 109.9 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.8 | -39.7 | 174.8 | -175.7 | 174.4 | -1 | 0 | 0 | 111.4 | R53 K54 E55 K60 Q61 | R53-Q57 VanDerWaalsContact O-CB 3.26Å; R53-Q57 WeakPolarHBondContact O-CB 3.31Å; R53-Q57 PolarHBondContact O-N 3.46Å; K54-Q57 PolarHBondContact O-N 2.98Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 2.93Å; Q57-K60 PolarHBondContact O-N 2.87Å; Q57-Q61 PolarHBondContact O-N 3.2Å |
| 58 | Q | 95.4 | Very high | 91.5 | Very high | 115 Ų | 115 | 104.2 Ų | 104.2 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 174.1 | -160.2 | -163.2 | 56.1 | 0 | 0 | 111.6 | K54 E55 Q61 K62 | K54-Q58 PolarHBondContact O-N 3.42Å; E55-Q58 WeakPolarHBondContact O-CB 3.16Å; E55-Q58 PolarHBondContact O-N 3.05Å; Q58-Q61 PolarHBondContact O-N 3.03Å; Q58-K62 HydrophobicContact CG-CD 4.42Å; Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 WeakPolarHBondContact O-CD 3.47Å; Q58-K62 VanDerWaalsContact O-CG 3.27Å; Q58-K62 WeakPolarHBondContact O-CG 3.15Å; Q58-K62 PolarHBondContact O-N 3.42Å |
| 59 | E | 95.2 | Very high | 92.2 | Very high | 120 Ų | 120 | 109.3 Ų | 109.3 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 173.2 | -69.3 | -157.1 | 129.3 | 0 | 0 | 112.4 | E55 Q61 K62 A63 | E55-E59 PolarHBondContact O-N 3.26Å; E59-Q61 VanDerWaalsContact C-N 3.33Å; E59-Q61 PolarHBondContact O-N 2.69Å; E59-K62 PolarHBondContact O-N 2.78Å; E59-A63 WeakPolarHBondContact O-CB 3.35Å; E59-A63 PolarHBondContact O-N 2.99Å |
| 60 | K | 95.1 | Very high | 92.4 | Very high | 144 Ų | 144 | 109.5 Ų | 109.5 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.1 | -45.8 | 173.2 | -179.4 | -175.6 | 175.5 | -173.1 | 0 | 111 | M56 Q57 A63 L64 | M56-K60 VanDerWaalsContact O-CB 3.27Å; M56-K60 WeakPolarHBondContact O-CB 3.48Å; M56-K60 PolarHBondContact O-N 2.83Å; Q57-K60 PolarHBondContact O-N 2.87Å; K60-A63 PolarHBondContact O-N 3.01Å; K60-L64 HydrophobicContact CG-CD1 4.36Å; K60-L64 WeakPolarHBondContact O-CG 3.48Å; K60-L64 PolarHBondContact O-N 3Å |
| 61 | Q | 95.1 | Very high | 92.7 | Very high | 101 Ų | 101 | 108.8 Ų | 108.8 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 177 | -170.6 | 58.8 | 44.9 | 0 | 0 | 111.6 | Q57 Q58 E59 A63 L64 D65 | Q57-Q61 PolarHBondContact O-N 3.2Å; Q58-Q61 PolarHBondContact O-N 3.03Å; E59-Q61 VanDerWaalsContact C-N 3.33Å; E59-Q61 PolarHBondContact O-N 2.69Å; Q61-A63 PolarHBondContact O-N 3.36Å; Q61-L64 PolarHBondContact O-N 3.47Å; Q61-L64 VanDerWaalsContact O-N 3.08Å; Q61-D65 PolarHBondContact NE2-OD1 2.88Å; Q61-D65 PolarHBondContact O-N 3.29Å |
| 62 | K | 96.3 | Very high | 93 | Very high | 107 Ų | 107 | 105 Ų | 105 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -53.8 | -39.6 | 175.3 | -73.1 | 162.3 | 171 | 171.5 | 0 | 112.1 | Q58 E59 V66 | Q58-K62 HydrophobicContact CG-CD 4.42Å; Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 WeakPolarHBondContact O-CD 3.47Å; Q58-K62 VanDerWaalsContact O-CG 3.27Å; Q58-K62 WeakPolarHBondContact O-CG 3.15Å; Q58-K62 PolarHBondContact O-N 3.42Å; E59-K62 PolarHBondContact O-N 2.78Å; K62-V66 VanDerWaalsContact O-CG2 3.31Å; K62-V66 WeakPolarHBondContact O-CG2 3.3Å; K62-V66 PolarHBondContact O-N 2.94Å; K62-V66 VanDerWaalsContact O-N 3.08Å |
| 63 | A | 93.1 | Very high | 93.2 | Very high | 60 Ų | 60 | 104.1 Ų | 104.1 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E59 K60 Q61 V66 E67 | E59-A63 WeakPolarHBondContact O-CB 3.35Å; E59-A63 PolarHBondContact O-N 2.99Å; K60-A63 PolarHBondContact O-N 3.01Å; Q61-A63 PolarHBondContact O-N 3.36Å; A63-V66 PolarHBondContact O-N 3.41Å; A63-E67 PolarHBondContact O-N 3.04Å |
| 64 | L | 95.1 | Very high | 93.5 | Very high | 86 Ų | 86 | 103.3 Ų | 103.3 | 45% | 0.45 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 174 | -69.6 | 170.2 | 0 | 0 | 0 | 111.3 | K60 Q61 V66 E67 A68 | K60-L64 HydrophobicContact CG-CD1 4.36Å; K60-L64 WeakPolarHBondContact O-CG 3.48Å; K60-L64 PolarHBondContact O-N 3Å; Q61-L64 PolarHBondContact O-N 3.47Å; Q61-L64 VanDerWaalsContact O-N 3.08Å; L64-V66 VanDerWaalsContact C-N 3.28Å; L64-V66 PolarHBondContact O-N 3.21Å; L64-E67 PolarHBondContact O-N 3.11Å; L64-A68 WeakPolarHBondContact O-CB 3.47Å; L64-A68 PolarHBondContact O-N 3.39Å |
| 65 | D | 95.2 | Very high | 93.7 | Very high | 66 Ų | 66 | 103.7 Ų | 103.7 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -32.9 | 176.7 | -59.2 | -16.9 | 0 | 0 | 0 | 112.1 | Q61 R69 | Q61-D65 PolarHBondContact NE2-OD1 2.88Å; Q61-D65 PolarHBondContact O-N 3.29Å; D65-R69 WeakPolarHBondContact O-CB 3.39Å; D65-R69 VanDerWaalsContact O-CG 3.31Å; D65-R69 WeakPolarHBondContact O-CG 3.25Å; D65-R69 PolarHBondContact O-N 2.94Å; D65-R69 VanDerWaalsContact O-N 3.09Å; D65-R69 PolarHBondContact O-NE 3.38Å |
| 66 | V | 94.9 | Very high | 93.8 | Very high | 82 Ų | 82 | 104.4 Ų | 104.4 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.6 | -40.5 | 173.7 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | K62 A63 L64 K70 | K62-V66 VanDerWaalsContact O-CG2 3.31Å; K62-V66 WeakPolarHBondContact O-CG2 3.3Å; K62-V66 PolarHBondContact O-N 2.94Å; K62-V66 VanDerWaalsContact O-N 3.08Å; A63-V66 PolarHBondContact O-N 3.41Å; L64-V66 VanDerWaalsContact C-N 3.28Å; L64-V66 PolarHBondContact O-N 3.21Å; V66-K70 VanDerWaalsContact O-CB 3.26Å; V66-K70 WeakPolarHBondContact O-CB 3.29Å; V66-K70 PolarHBondContact O-N 2.68Å |
| 67 | E | 93.8 | Very high | 94 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 174.3 | -178.9 | 131.4 | -115.9 | 0 | 0 | 111.7 | A63 L64 R69 K70 Q71 | A63-E67 PolarHBondContact O-N 3.04Å; L64-E67 PolarHBondContact O-N 3.11Å; E67-R69 PolarHBondContact O-N 3Å; E67-K70 CarbonylContact O-C 3.57Å; E67-K70 WeakPolarHBondContact O-CB 3.48Å; E67-K70 PolarHBondContact O-N 2.99Å; E67-K70 VanDerWaalsContact O-N 3.11Å; E67-Q71 HydrophobicContact CG-CG 4.38Å; E67-Q71 WeakPolarHBondContact O-CG 3.44Å; E67-Q71 PolarHBondContact O-N 3.5Å |
| 68 | A | 94.5 | Very high | 94.1 | Very high | 55 Ų | 55 | 103.1 Ų | 103.1 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.5 | -50.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L64 K70 Q71 V72 | L64-A68 WeakPolarHBondContact O-CB 3.47Å; L64-A68 PolarHBondContact O-N 3.39Å; A68-K70 VanDerWaalsContact C-N 3.3Å; A68-K70 PolarHBondContact O-N 3.3Å; A68-Q71 PolarHBondContact O-N 2.91Å; A68-V72 WeakPolarHBondContact O-CG2 3.37Å; A68-V72 PolarHBondContact O-N 3.19Å |
| 69 | R | 94.8 | Very high | 94 | Very high | 146 Ų | 146 | 103.3 Ų | 103.3 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.6 | -39 | 174.2 | -78.3 | 176.2 | -75.7 | 178.9 | -8.6 | 112.7 | D65 E67 V72 N73 | D65-R69 WeakPolarHBondContact O-CB 3.39Å; D65-R69 VanDerWaalsContact O-CG 3.31Å; D65-R69 WeakPolarHBondContact O-CG 3.25Å; D65-R69 PolarHBondContact O-N 2.94Å; D65-R69 VanDerWaalsContact O-N 3.09Å; D65-R69 PolarHBondContact O-NE 3.38Å; E67-R69 PolarHBondContact O-N 3Å; R69-V72 PolarHBondContact O-N 2.9Å; R69-N73 WeakPolarHBondContact O-CB 3.44Å; R69-N73 VanDerWaalsContact O-CG 3.24Å; R69-N73 PolarHBondContact O-N 3.24Å |
| 70 | K | 93.9 | Very high | 93.9 | Very high | 109 Ų | 109 | 102.2 Ų | 102.2 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.1 | -37 | 176.4 | -176.4 | -178.2 | 179.8 | -174.4 | 0 | 112.5 | V66 E67 A68 R74 | V66-K70 VanDerWaalsContact O-CB 3.26Å; V66-K70 WeakPolarHBondContact O-CB 3.29Å; V66-K70 PolarHBondContact O-N 2.68Å; E67-K70 CarbonylContact O-C 3.57Å; E67-K70 WeakPolarHBondContact O-CB 3.48Å; E67-K70 PolarHBondContact O-N 2.99Å; E67-K70 VanDerWaalsContact O-N 3.11Å; A68-K70 VanDerWaalsContact C-N 3.3Å; A68-K70 PolarHBondContact O-N 3.3Å; K70-R74 VanDerWaalsContact O-CG 3.32Å; K70-R74 WeakPolarHBondContact O-CG 3.41Å; K70-R74 PolarHBondContact O-N 3.19Å |
| 71 | Q | 91.1 | Very high | 93.7 | Very high | 85 Ų | 85 | 102.9 Ų | 102.9 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.1 | -40.6 | 173.9 | -63.3 | -72.4 | 39.6 | 0 | 0 | 111.7 | E67 A68 R74 K75 | E67-Q71 HydrophobicContact CG-CG 4.38Å; E67-Q71 WeakPolarHBondContact O-CG 3.44Å; E67-Q71 PolarHBondContact O-N 3.5Å; A68-Q71 PolarHBondContact O-N 2.91Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 2.85Å; Q71-K75 WeakPolarHBondContact O-CG 3.04Å; Q71-K75 PolarHBondContact O-N 3.33Å |
| 72 | V | 94.4 | Very high | 93.6 | Very high | 72 Ų | 72 | 101.4 Ų | 101.4 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 171.6 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | A68 R69 R74 K75 K76 | A68-V72 WeakPolarHBondContact O-CG2 3.37Å; A68-V72 PolarHBondContact O-N 3.19Å; R69-V72 PolarHBondContact O-N 2.9Å; V72-R74 PolarHBondContact O-N 3.23Å; V72-K75 WeakPolarHBondContact O-CB 3.15Å; V72-K75 PolarHBondContact O-N 3.32Å; V72-K76 HydrophobicContact CG1-CD 4.31Å; V72-K76 HydrophobicContact CG1-CG 4.45Å; V72-K76 WeakPolarHBondContact O-CG 3.46Å; V72-K76 PolarHBondContact O-N 3.04Å |
| 73 | N | 92.3 | Very high | 93.3 | Very high | 93 Ų | 93 | 100.9 Ų | 100.9 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177.8 | -72.7 | -6.8 | 0 | 0 | 0 | 112.2 | R69 K76 T77 | R69-N73 WeakPolarHBondContact O-CB 3.44Å; R69-N73 VanDerWaalsContact O-CG 3.24Å; R69-N73 PolarHBondContact O-N 3.24Å; N73-K76 PolarHBondContact O-N 3.06Å; N73-T77 PolarHBondContact O-N 3.32Å; N73-T77 PolarHBondContact O-OG1 3.02Å; N73-T77 VanDerWaalsContact O-OG1 3.07Å |
| 74 | R | 92.1 | Very high | 93.2 | Very high | 136 Ų | 136 | 103 Ų | 103 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 170.3 | -77.3 | 164.2 | 165 | 174 | -5 | 112.2 | K70 Q71 V72 T77 L78 | K70-R74 VanDerWaalsContact O-CG 3.32Å; K70-R74 WeakPolarHBondContact O-CG 3.41Å; K70-R74 PolarHBondContact O-N 3.19Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 2.85Å; V72-R74 PolarHBondContact O-N 3.23Å; R74-T77 PolarHBondContact O-N 3.21Å; R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 PolarHBondContact O-N 3.1Å |
| 75 | K | 94.6 | Very high | 92.9 | Very high | 151 Ų | 151 | 103.4 Ų | 103.4 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 174.9 | -73.2 | -176.8 | 176.7 | -173.2 | 0 | 111.1 | Q71 V72 L78 L79 | Q71-K75 WeakPolarHBondContact O-CG 3.04Å; Q71-K75 PolarHBondContact O-N 3.33Å; V72-K75 WeakPolarHBondContact O-CB 3.15Å; V72-K75 PolarHBondContact O-N 3.32Å; K75-L78 PolarHBondContact O-N 2.88Å; K75-L79 WeakPolarHBondContact O-CG 3.22Å; K75-L79 PolarHBondContact O-N 3Å |
| 76 | K | 94.3 | Very high | 92.6 | Very high | 127 Ų | 127 | 104.1 Ų | 104.1 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.4 | -49.8 | 175.3 | -73.6 | -175.7 | 175.4 | -171.2 | 0 | 112 | V72 N73 L78 L79 T80 | V72-K76 HydrophobicContact CG1-CD 4.31Å; V72-K76 HydrophobicContact CG1-CG 4.45Å; V72-K76 WeakPolarHBondContact O-CG 3.46Å; V72-K76 PolarHBondContact O-N 3.04Å; N73-K76 PolarHBondContact O-N 3.06Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 3.18Å; K76-L79 PolarHBondContact O-N 3.35Å; K76-L79 VanDerWaalsContact O-N 3.13Å; K76-T80 PolarHBondContact O-N 3.11Å; K76-T80 PolarHBondContact O-OG1 3.21Å; K76-T80 VanDerWaalsContact O-OG1 3.05Å |
| 77 | T | 92.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -36.4 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | N73 R74 R81 | N73-T77 PolarHBondContact O-N 3.32Å; N73-T77 PolarHBondContact O-OG1 3.02Å; N73-T77 VanDerWaalsContact O-OG1 3.07Å; R74-T77 PolarHBondContact O-N 3.21Å; T77-R81 WeakPolarHBondContact O-CB 3.39Å; T77-R81 PolarHBondContact O-N 3.35Å |
| 78 | L | 93.4 | Very high | 91.4 | Very high | 111 Ų | 111 | 103.5 Ų | 103.5 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.2 | -44.8 | 173.7 | -177.3 | 62 | 0 | 0 | 0 | 111.5 | R74 K75 K76 R81 V82 | R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 PolarHBondContact O-N 3.1Å; K75-L78 PolarHBondContact O-N 2.88Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 3.18Å; L78-R81 PolarHBondContact O-N 3.4Å; L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.28Å |
| 79 | L | 92.7 | Very high | 90.5 | Very high | 119 Ų | 119 | 104.6 Ų | 104.6 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 176.6 | -70.7 | 168.4 | 0 | 0 | 0 | 112.1 | K75 K76 R81 V82 Q83 | K75-L79 WeakPolarHBondContact O-CG 3.22Å; K75-L79 PolarHBondContact O-N 3Å; K76-L79 PolarHBondContact O-N 3.35Å; K76-L79 VanDerWaalsContact O-N 3.13Å; L79-R81 VanDerWaalsContact C-N 3.27Å; L79-R81 PolarHBondContact O-N 3.37Å; L79-V82 PolarHBondContact O-N 2.79Å; L79-V82 VanDerWaalsContact O-N 3.13Å; L79-Q83 PolarHBondContact O-N 3.17Å |
| 80 | T | 92.5 | Very high | 88.8 | Confident | 97 Ų | 97 | 103.6 Ų | 103.6 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -40.3 | 173.7 | -55 | 0 | 0 | 0 | 0 | 111.4 | K76 Q83 E84 | K76-T80 PolarHBondContact O-N 3.11Å; K76-T80 PolarHBondContact O-OG1 3.21Å; K76-T80 VanDerWaalsContact O-OG1 3.05Å; T80-Q83 PolarHBondContact O-N 3.41Å; T80-E84 WeakPolarHBondContact O-CB 3.32Å; T80-E84 PolarHBondContact O-N 3.06Å |
| 81 | R | 91.8 | Very high | 86.9 | Confident | 158 Ų | 158 | 104.1 Ų | 104.1 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.4 | -32 | 176.2 | -173.3 | 177.2 | 176.4 | -158 | -5.1 | 113 | T77 L78 L79 I85 | T77-R81 WeakPolarHBondContact O-CB 3.39Å; T77-R81 PolarHBondContact O-N 3.35Å; L78-R81 PolarHBondContact O-N 3.4Å; L79-R81 VanDerWaalsContact C-N 3.27Å; L79-R81 PolarHBondContact O-N 3.37Å; R81-I85 HydrophobicContact CG-CD1 4.3Å; R81-I85 WeakPolarHBondContact O-CD1 3.39Å; R81-I85 WeakPolarHBondContact O-CG1 3.36Å; R81-I85 PolarHBondContact O-N 3.05Å; R81-I85 VanDerWaalsContact O-N 3.07Å |
| 82 | V | 93.6 | Very high | 85 | Confident | 70 Ų | 70 | 109.8 Ų | 109.8 | 42% | 0.424 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 171.7 | 168.4 | 0 | 0 | 0 | 0 | 110.1 | L78 L79 I85 L86 | L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.28Å; L79-V82 PolarHBondContact O-N 2.79Å; L79-V82 VanDerWaalsContact O-N 3.13Å; V82-I85 PolarHBondContact O-N 2.66Å; V82-L86 HydrophobicContact CG1-CD1 4.19Å; V82-L86 WeakPolarHBondContact O-CG 3.36Å; V82-L86 PolarHBondContact O-N 3.24Å |
| 83 | Q | 89.2 | Confident | 82.9 | Confident | 95 Ų | 95 | 114.4 Ų | 114.4 | 44% | 0.444 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61 | -49.7 | 174 | -168.8 | 62.4 | 48.6 | 0 | 0 | 111.2 | L79 T80 I85 L86 D87 | L79-Q83 PolarHBondContact O-N 3.17Å; T80-Q83 PolarHBondContact O-N 3.41Å; Q83-I85 PolarHBondContact O-N 3.49Å; Q83-L86 CarbonylContact O-C 3.53Å; Q83-L86 WeakPolarHBondContact O-CA 3.42Å; Q83-L86 WeakPolarHBondContact O-CB 3.41Å; Q83-L86 PolarHBondContact O-N 3.41Å; Q83-D87 PolarHBondContact NE2-OD1 3.45Å; Q83-D87 PolarHBondContact O-N 3.28Å |
| 84 | E | 90.8 | Very high | 80.3 | Confident | 106 Ų | 106 | 114 Ų | 114 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -51.5 | -40.8 | 173.2 | -179.8 | -170.8 | -170.7 | 0 | 0 | 111.8 | T80 N88 | T80-E84 WeakPolarHBondContact O-CB 3.32Å; T80-E84 PolarHBondContact O-N 3.06Å; E84-N88 WeakPolarHBondContact O-CB 3.38Å; E84-N88 PolarHBondContact O-N 2.81Å; E84-N88 PolarHBondContact O-ND2 2.96Å |
| 85 | I | 89 | Confident | 77.7 | Confident | 93 Ų | 93 | 113.5 Ų | 113.5 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.9 | -40.9 | 175.8 | -71 | 164.2 | 0 | 0 | 0 | 111.7 | R81 V82 Q83 V89 | R81-I85 HydrophobicContact CG-CD1 4.3Å; R81-I85 WeakPolarHBondContact O-CD1 3.39Å; R81-I85 WeakPolarHBondContact O-CG1 3.36Å; R81-I85 PolarHBondContact O-N 3.05Å; R81-I85 VanDerWaalsContact O-N 3.07Å; V82-I85 PolarHBondContact O-N 2.66Å; Q83-I85 PolarHBondContact O-N 3.49Å; I85-V89 WeakPolarHBondContact O-CB 3.1Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 2.73Å |
| 86 | L | 88.4 | Confident | 75 | Confident | 82 Ų | 82 | 113.2 Ų | 113.2 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.1 | -44 | 176.2 | -70.4 | 171.4 | 0 | 0 | 0 | 111.3 | V82 Q83 V89 Q90 | V82-L86 HydrophobicContact CG1-CD1 4.19Å; V82-L86 WeakPolarHBondContact O-CG 3.36Å; V82-L86 PolarHBondContact O-N 3.24Å; Q83-L86 CarbonylContact O-C 3.53Å; Q83-L86 WeakPolarHBondContact O-CA 3.42Å; Q83-L86 WeakPolarHBondContact O-CB 3.41Å; Q83-L86 PolarHBondContact O-N 3.41Å; L86-V89 CarbonylContact O-C 3.57Å; L86-V89 PolarHBondContact O-N 3.36Å; L86-V89 VanDerWaalsContact O-N 3.1Å; L86-Q90 WeakPolarHBondContact O-CG 3.33Å; L86-Q90 PolarHBondContact O-N 3.48Å |
| 87 | D | 86.5 | Confident | 72.5 | Confident | 69 Ų | 69 | 112.7 Ų | 112.7 | 37% | 0.369 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.1 | -47.2 | 178.3 | -56.3 | -23.6 | 0 | 0 | 0 | 110.4 | Q83 V89 Q90 V91 | Q83-D87 PolarHBondContact NE2-OD1 3.45Å; Q83-D87 PolarHBondContact O-N 3.28Å; D87-V89 PolarHBondContact O-N 2.78Å; D87-Q90 PolarHBondContact O-N 3.15Å; D87-Q90 VanDerWaalsContact O-N 3.12Å; D87-V91 WeakPolarHBondContact O-CG2 3.24Å; D87-V91 PolarHBondContact O-N 3.32Å |
| 88 | N | 77.5 | Confident | 70.3 | Confident | 100 Ų | 100 | 112.2 Ų | 112.2 | 54% | 0.535 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.1 | -11.5 | 174.5 | -80 | -78.6 | 0 | 0 | 0 | 114.3 | E84 | E84-N88 WeakPolarHBondContact O-CB 3.38Å; E84-N88 PolarHBondContact O-N 2.81Å; E84-N88 PolarHBondContact O-ND2 2.96Å |
| 89 | V | 74.9 | Confident | 67.8 | Low | 79 Ų | 79 | 114.7 Ų | 114.7 | 48% | 0.479 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -93.1 | -36.9 | 169.8 | 166.2 | 0 | 0 | 0 | 0 | 110.9 | I85 L86 D87 R92 K93 | I85-V89 WeakPolarHBondContact O-CB 3.1Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 2.73Å; L86-V89 CarbonylContact O-C 3.57Å; L86-V89 PolarHBondContact O-N 3.36Å; L86-V89 VanDerWaalsContact O-N 3.1Å; D87-V89 PolarHBondContact O-N 2.78Å; V89-R92 CarbonylContact O-C 3.55Å; V89-R92 WeakPolarHBondContact O-CA 3Å; V89-R92 PolarHBondContact O-N 3.26Å; V89-K93 PolarHBondContact O-N 3.17Å |
| 90 | Q | 59.6 | Low | 65.1 | Low | 124 Ų | 124 | 118.7 Ų | 118.7 | 58% | 0.579 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.7 | -37.4 | 174.7 | -71.5 | -178.8 | 43.4 | 0 | 0 | 112.1 | L86 D87 R92 K93 | L86-Q90 WeakPolarHBondContact O-CG 3.33Å; L86-Q90 PolarHBondContact O-N 3.48Å; D87-Q90 PolarHBondContact O-N 3.15Å; D87-Q90 VanDerWaalsContact O-N 3.12Å; Q90-R92 PolarHBondContact O-N 2.9Å; Q90-R92 VanDerWaalsContact O-N 3.07Å; Q90-K93 PolarHBondContact O-N 3.42Å |
| 91 | V | 54.4 | Low | 62.7 | Low | 120 Ų | 120 | 122.2 Ų | 122.2 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -7.5 | 170.4 | 174.7 | 0 | 0 | 0 | 0 | 112.8 | D87 | D87-V91 WeakPolarHBondContact O-CG2 3.24Å; D87-V91 PolarHBondContact O-N 3.32Å |
| 92 | R | 51.1 | Low | 60.1 | Low | 204 Ų | 204 | 123.6 Ų | 123.6 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 17.2 | 168.4 | -74.3 | -165.4 | -63.9 | 127.9 | 2.7 | 114.5 | V89 Q90 | V89-R92 CarbonylContact O-C 3.55Å; V89-R92 WeakPolarHBondContact O-CA 3Å; V89-R92 PolarHBondContact O-N 3.26Å; Q90-R92 PolarHBondContact O-N 2.9Å; Q90-R92 VanDerWaalsContact O-N 3.07Å |
| 93 | K | 49.6 | Very low | 57.1 | Low | 170 Ų | 170 | 132 Ų | 132 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -78.9 | 136.5 | 143 | -71 | -172.3 | 173.8 | -175.2 | 0 | 107.3 | V89 Q90 | V89-K93 PolarHBondContact O-N 3.17Å; Q90-K93 PolarHBondContact O-N 3.42Å |
| 94 | A | 38.3 | Very low | 54.5 | Low | 83 Ų | 83 | 136.9 Ų | 136.9 | 69% | 0.686 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64 | 151.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 95 | P | 38.3 | Very low | 51.8 | Low | 126 Ų | 126 | 140.2 Ų | 140.2 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 144 | 156.5 | -21.2 | 33.2 | 0 | 0 | 0 | 109.7 | ||
| 96 | N | 36.6 | Very low | 48.9 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 149.3 | 175.7 | -65.4 | -43.3 | 0 | 0 | 0 | 110 | S98 | N96-S98 PolarHBondContact O-N 3.22Š|
| 97 | A | 42.8 | Very low | 46.2 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 97% | 0.967 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -77.1 | 69.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 98 | S | 46.5 | Very low | 43.6 | Very low | 89 Ų | 89 | 150.2 Ų | 150.2 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | -162.8 | 71.3 | 176.6 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | N96 | N96-S98 PolarHBondContact O-N 3.22Š| ||
| 99 | D | 39.8 | Very low | 41.2 | Very low | 163 Ų | 163 | 155.8 Ų | 155.8 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -177.6 | 57.3 | 162 | -93.1 | -21.7 | 0 | 0 | 0 | 109.2 | ||||
| 100 | F | 36.8 | Very low | 39 | Very low | 202 Ų | 202 | 156.4 Ų | 156.4 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -143.4 | 63.5 | 179.5 | -125.1 | -74.5 | 0 | 0 | 0 | 110.5 | ||||
| 101 | D | 40.9 | Very low | 37.3 | Very low | 171 Ų | 171 | 158 Ų | 158 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -158.1 | 37.3 | 174.6 | -103 | -27.8 | 0 | 0 | 0 | 112.7 | ||
| 102 | Q | 37.6 | Very low | 36.1 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -150.8 | 43.5 | 176.3 | -151.5 | 154.9 | 45.7 | 0 | 0 | 116.3 | ||
| 103 | W | 31.2 | Very low | 35 | Very low | 248 Ų | 248 | 155.9 Ų | 155.9 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -135 | 6.8 | 167.6 | -88.8 | -28.5 | 0 | 0 | 0 | 116 | ||
| 104 | E | 35.2 | Very low | 34.1 | Very low | 196 Ų | 196 | 153.3 Ų | 153.3 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -101.1 | 55.1 | 169.9 | -68 | -158.2 | 159.3 | 0 | 0 | 112.6 | ||
| 105 | M | 32.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 159.4 Ų | 159.4 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -161.6 | 158.2 | 157.4 | -109.5 | 163.8 | 67.8 | 0 | 0 | 110 | ||
| 106 | E | 28.9 | Very low | 33.1 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | 75.2 | 52.1 | -179.7 | -54.5 | -163.6 | 143.4 | 0 | 0 | 118.2 | ||||
| 107 | T | 31.1 | Very low | 32.6 | Very low | 143 Ų | 143 | 160 Ų | 160 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -96.4 | 83.1 | 136.1 | 57 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 108 | V | 32.8 | Very low | 31.8 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -168.2 | 137.6 | 158.4 | 126.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 109 | Y | 26.6 | Very low | 30.9 | Very low | 217 Ų | 217 | 163.3 Ų | 163.3 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | 69.4 | 154.9 | 165.1 | -99.7 | -112.2 | 0 | 0 | 0 | 121.7 | ||||
| 110 | S | 28.2 | Very low | 31 | Very low | 92 Ų | 92 | 161 Ų | 161 | 64% | 0.643 | 81% | 0.814 | S | S | * | * | trans | -128.9 | 172.8 | 178.4 | -51.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 111 | N | 24.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 155.7 Ų | 155.7 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | 95.6 | 163.2 | 163.7 | -47.5 | -34.6 | 0 | 0 | 0 | 117.7 | ||||
| 112 | S | 28.3 | Very low | 29.6 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 84.4 | 78.1 | 173 | -157.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 113 | E | 28.8 | Very low | 29.2 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | 38.1 | 133.1 | 111.2 | -68.5 | -168 | 119.9 | 0 | 0 | 123 | |||||
| 114 | V | 30.7 | Very low | 29.7 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | 80 | 101 | 128.4 | 175 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 115 | R | 28.9 | Very low | 29.3 | Very low | 211 Ų | 211 | 145.1 Ų | 145.1 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | 70.5 | 104.4 | 120.6 | -166.2 | -172.6 | -78.1 | -172.6 | -2.5 | 121.5 | |||||
| 116 | N | 26.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 81.2 | 154.2 | 133.8 | -65.2 | 1 | 0 | 0 | 0 | 123.8 | ||||
| 117 | L | 25.9 | Very low | 29 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 98.8 | 136.8 | 145.5 | -78.1 | 146.2 | 0 | 0 | 0 | 121.3 | ||||
| 118 | N | 26 | Very low | 29.2 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 83.3 | 80.1 | 151.7 | -59.4 | -15.1 | 0 | 0 | 0 | 122.6 | ||||
| 119 | V | 28.1 | Very low | 28.8 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | -48.4 | 158.2 | 126 | 163.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 120 | P | 40.4 | Very low | 28.8 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -136.8 | -179.5 | 14 | 31.1 | -7.6 | 0 | 0 | 0 | 118.9 | ||||
| 121 | A | 25.3 | Very low | 28.7 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | 69.1 | 145.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 122 | T | 24.5 | Very low | 28.8 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | cis | -154.4 | 159.3 | 46.1 | -54.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 123 | F | 29.6 | Very low | 28.7 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -69.5 | -174.6 | 170.6 | -78.6 | -80.9 | 0 | 0 | 0 | 113.1 | ||||
| 124 | P | 41.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | cis | -130.3 | -162.7 | 11.2 | 42.4 | -20.2 | 0 | 0 | 0 | 113.5 | ||||
| 125 | N | 25.6 | Very low | 28.3 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | cis | -167.6 | 158 | 33.8 | -136.4 | -4.4 | 0 | 0 | 0 | 115.7 | ||||
| 126 | S | 24.6 | Very low | 28.1 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 57.5 | 129.2 | 150.4 | -55 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 127 | F | 29.8 | Very low | 28.1 | Very low | 202 Ų | 202 | 133 Ų | 133 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | trans | -84.5 | 170.1 | 149.7 | -69.3 | -84 | 0 | 0 | 0 | 111.3 | ||||
| 128 | P | 36.5 | Very low | 28.4 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | -139.8 | -167 | 107 | 40.1 | -27.9 | 0 | 0 | 0 | 114.2 | |||||
| 129 | S | 25 | Very low | 28.6 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 172.4 | -164.1 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 130 | H | 26 | Very low | 28.5 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 69.6 | 158.5 | 164.5 | -66.3 | -62.6 | 0 | 0 | 0 | 117 | ||||
| 131 | T | 25.1 | Very low | 28.2 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 61% | 0.613 | 78% | 0.775 | S | S | * | * | cis | -163.7 | 153 | -15.4 | -107.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 132 | E | 27.4 | Very low | 28.2 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | 21.3 | 133.3 | 157.6 | -61.4 | 155.1 | -128.6 | 0 | 0 | 125.1 | ||||
| 133 | H | 26.6 | Very low | 28.2 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | -134.7 | 135 | 120.6 | -62.8 | -36.9 | 0 | 0 | 0 | 106.1 | |||||
| 134 | S | 26.8 | Very low | 28 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | cis | 65.4 | 124.6 | 43 | -141.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 135 | T | 25 | Very low | 27.3 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | -149.8 | 156 | 30.6 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 136 | A | 24.7 | Very low | 27.2 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -173.5 | 135.8 | 143.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 137 | A | 25.5 | Very low | 28 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -43.8 | 142.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 138 | K | 31.7 | Very low | 27.7 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -103.7 | 161.3 | 151.7 | -76 | -177.6 | 176.3 | 178 | 0 | 110.2 | ||||
| 139 | L | 30.2 | Very low | 27 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 174.8 | 151.4 | 152.1 | -94.3 | 164.9 | 0 | 0 | 0 | 106.2 | ||||
| 140 | D | 27.6 | Very low | 27.3 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | cis | -170.2 | 162.8 | -13.3 | -143.2 | 30 | 0 | 0 | 0 | 106.1 | ||||
| 141 | K | 32.7 | Very low | 27.5 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 70% | 0.704 | 77% | 0.771 | S | S | * | * | cis | -145.9 | -144.2 | -12.6 | -139.8 | 174.5 | -150.9 | 70.3 | 0 | 105.3 | ||||
| 142 | I | 26.2 | Very low | 27.8 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | cis | -136.6 | 176.2 | -2.8 | -40.9 | 158.3 | 0 | 0 | 0 | 106.7 | ||||
| 143 | A | 23.4 | Very low | 27.9 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -91.2 | 175.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 144 | G | 26 | Very low | 28 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -104.3 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 145 | I | 26.3 | Very low | 28.3 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -142.6 | 154.9 | 177.1 | -42 | -179.4 | 0 | 0 | 0 | 109.1 | ||||
| 146 | L | 24.4 | Very low | 28.5 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -86 | -155.2 | 166.2 | -57.2 | 160.5 | 0 | 0 | 0 | 109.5 | ||||
| 147 | P | 40.5 | Very low | 28.7 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | cis | -120.4 | -164.2 | -42.5 | 38.7 | -22.9 | 0 | 0 | 0 | 111.2 | ||||
| 148 | L | 23.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 63.9 | 161.7 | 157.2 | -95.3 | 58 | 0 | 0 | 0 | 116.7 | ||||
| 149 | D | 22.6 | Very low | 29 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | cis | -129.8 | 161.3 | 5.5 | -100.4 | -51.5 | 0 | 0 | 0 | 112.4 | ||||
| 150 | N | 30.7 | Very low | 29.2 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -100.2 | 140.2 | 145.7 | -61.3 | -77.8 | 0 | 0 | 0 | 107.4 | ||||
| 151 | E | 30.7 | Very low | 29.6 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | -131.8 | 134.1 | 124.6 | -85.9 | -143.3 | -167.7 | 0 | 0 | 105.7 | Q153 | E151-Q153 PolarHBondContact OE2-NE2 3.45Š| |||
| 152 | D | 30.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | 67.9 | 144.5 | 60.7 | -65.7 | -59.2 | 0 | 0 | 0 | 110.8 | |||||
| 153 | Q | 31.1 | Very low | 30.2 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | cis | -142.4 | 134.8 | 38.7 | -70.9 | 172.5 | 20.2 | 0 | 0 | 115.3 | E151 | E151-Q153 PolarHBondContact OE2-NE2 3.45Š| ||
| 154 | C | 27.4 | Very low | 30.7 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 57% | 0.568 | 73% | 0.729 | S | S | * | * | 30.6 | 121.4 | 121 | -55.9 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 155 | K | 32.8 | Very low | 31.2 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | -172.3 | 103.7 | 116 | -96 | 142.7 | -169.5 | 163.1 | 0 | 109.6 | |||||
| 156 | T | 29.8 | Very low | 31.5 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 61% | 0.607 | 72% | 0.724 | S | S | * | * | 92.9 | 145.9 | 61.7 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 157 | N | 29.9 | Very low | 31.7 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | trans | 77 | 127.1 | 178.4 | -41.4 | -27.8 | 0 | 0 | 0 | 113.2 | ||||
| 158 | G | 29.2 | Very low | 31 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | cis | 114.5 | 142.4 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 159 | T | 33.8 | Very low | 31 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | cis | -138 | -168.2 | -16.9 | 61.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 160 | D | 34.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | cis | -159.3 | -170.2 | 8.7 | -126 | -51.4 | 0 | 0 | 0 | 106.2 | ||||
| 161 | L | 36.4 | Very low | 31.7 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | cis | -156.2 | 170.1 | 1.2 | -119.9 | -171.4 | 0 | 0 | 0 | 103.9 | ||||
| 162 | A | 32.1 | Very low | 31.4 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | cis | -157.1 | 167.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 163 | R | 37.8 | Very low | 31 | Very low | 210 Ų | 210 | 133.9 Ų | 133.9 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | 4.5 | 147.8 | 136.1 | -62.3 | -146.9 | -140.4 | 178.6 | 3.9 | 120.5 | ||||
| 164 | D | 33.8 | Very low | 30.5 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | cis | -166.3 | 163 | 3.4 | -96.9 | -14.8 | 0 | 0 | 0 | 107.5 | ||||
| 165 | S | 37.9 | Very low | 30.3 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | cis | -167.4 | -171.3 | -19.3 | -164.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 166 | E | 32.2 | Very low | 29.8 | Very low | 191 Ų | 191 | 129.1 Ų | 129.1 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | 14 | 141.8 | 162.3 | -70.5 | 175.3 | 144.6 | 0 | 0 | 124.1 | ||||
| 167 | G | 27.7 | Very low | 29.6 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 157.1 | 93.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 168 | F | 26.1 | Very low | 29.5 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | trans | -86.4 | 141.6 | 171.2 | -75.7 | -102 | 0 | 0 | 0 | 112.3 | ||||
| 169 | N | 24.1 | Very low | 29.3 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | 175.3 | 161.2 | 102 | -97.3 | -66.5 | 0 | 0 | 0 | 116.4 | |||||
| 170 | S | 28.4 | Very low | 29.1 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -84.6 | -177.8 | 169.5 | 76.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 171 | P | 38.8 | Very low | 28.6 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | cis | -154.2 | 176 | 37.7 | 45.5 | -23.8 | 0 | 0 | 0 | 120.2 | ||||
| 172 | K | 25.4 | Very low | 28.1 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | 49.9 | 151.8 | 136.7 | -77.7 | 178.5 | 177.8 | -179 | 0 | 124.2 | ||||
| 173 | Q | 22.5 | Very low | 27.7 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 71 | 156.8 | 146.2 | -85 | -175.8 | -85.1 | 0 | 0 | 117.4 | ||||
| 174 | C | 20.9 | Very low | 27 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 57% | 0.574 | 74% | 0.737 | S | S | * | * | cis | -154.4 | -160.8 | -22.2 | -138.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 175 | D | 21.5 | Very low | 27 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 9.1 | 145 | 134.6 | -52.7 | -40.2 | 0 | 0 | 0 | 118.8 | ||||
| 176 | S | 22.9 | Very low | 26.3 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -179.7 | -162.3 | -5.2 | 56 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 177 | S | 25 | Very low | 26.5 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 60.2 | 118.3 | 141.8 | -55.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 178 | N | 28.8 | Very low | 26.9 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -45.5 | 143 | 155.3 | -38.7 | -77.5 | 0 | 0 | 0 | 113.8 | ||||
| 179 | I | 25.3 | Very low | 26.8 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 80% | 0.795 | 74% | 0.744 | S | S | * | * | trans | -170.5 | 122.8 | 136.5 | -94.5 | 146.8 | 0 | 0 | 0 | 104.6 | ||||
| 180 | S | 28.5 | Very low | 26.8 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | cis | 82.7 | 60.7 | 37.1 | 86.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 181 | H | 23.9 | Very low | 26.6 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | -170 | 156.8 | 147.1 | -113.9 | -128.6 | 0 | 0 | 0 | 106.6 | ||||
| 182 | V | 25.7 | Very low | 25.9 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 56% | 0.564 | 76% | 0.762 | S | S | * | * | cis | 165 | 169 | -16.7 | 133 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 183 | E | 24 | Very low | 26 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | trans | 69.8 | 109.6 | 166.6 | -82.6 | 161.7 | -134.9 | 0 | 0 | 119.9 | ||||
| 184 | N | 23.6 | Very low | 26.1 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 79.5 | 143.2 | 119.1 | -63.7 | -4.6 | 0 | 0 | 0 | 122.5 | |||||
| 185 | E | 33.8 | Very low | 27 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -68.7 | 150 | 178.9 | -47.4 | -177.4 | 140.1 | 0 | 0 | 112.9 | ||||
| 186 | A | 23.8 | Very low | 27.2 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -151.6 | 97.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 187 | F | 35.5 | Very low | 27.3 | Very low | 206 Ų | 206 | 137.7 Ų | 137.7 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 136.3 | 161 | -87 | -83.5 | 0 | 0 | 0 | 110.6 | ||||
| 188 | P | 36.4 | Very low | 27.3 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -106.3 | 152.3 | 151 | 35.1 | -27.6 | 0 | 0 | 0 | 110.6 | ||||
| 189 | K | 24.1 | Very low | 27.2 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | cis | -168.7 | 143.7 | -5.7 | -108.8 | 167.5 | -174.6 | 174.8 | 0 | 107.4 | ||||
| 190 | T | 23.3 | Very low | 27.2 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 94% | 0.939 | 77% | 0.766 | S | S | * | * | trans | 178.9 | 166.4 | 136.1 | 21.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 191 | S | 25 | Very low | 27.2 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -137.7 | 150 | -157.3 | 50 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 192 | S | 24.9 | Very low | 27.4 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | 168.9 | 167 | 131 | 46.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 193 | A | 25.5 | Very low | 27.3 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 79.8 | 112.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 194 | T | 26.2 | Very low | 27.6 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -104.5 | -179.1 | 164.7 | 30.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 195 | P | 39.9 | Very low | 27.6 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -118.2 | -158.8 | -2 | 33.8 | -10.9 | 0 | 0 | 0 | 111.2 | ||||
| 196 | Q | 25.1 | Very low | 27.2 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | cis | -166.8 | 139.2 | 20.5 | -160.4 | 164.2 | -15.2 | 0 | 0 | 112.4 | ||||
| 197 | E | 24.7 | Very low | 27.3 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | 54.8 | 153.4 | 147.6 | -69.4 | -172.7 | 91.1 | 0 | 0 | 122.2 | ||||
| 198 | T | 24.4 | Very low | 26.7 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 61% | 0.607 | 75% | 0.753 | S | S | * | * | cis | -162.2 | 131.8 | -6.7 | -106.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 199 | L | 27.8 | Very low | 26.3 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 49.6 | 138 | 143.5 | -56.1 | 178.6 | 0 | 0 | 0 | 127.4 | ||||
| 200 | I | 25.9 | Very low | 26.4 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | 77.4 | 149.2 | 131.4 | -75.7 | 169.1 | 0 | 0 | 0 | 121.2 | ||||
| 201 | S | 28.4 | Very low | 26.7 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 58% | 0.58 | 76% | 0.757 | S | S | * | * | cis | -174.7 | 176.2 | -30.6 | -160.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 202 | D | 26.8 | Very low | 26.5 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 69.9 | 157 | 157.7 | -46.7 | -26 | 0 | 0 | 0 | 118.8 | ||||
| 203 | G | 25.1 | Very low | 27 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | cis | 154.3 | 160.3 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 204 | L | 28.6 | Very low | 27.8 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | cis | -172.4 | 163.8 | -18.1 | -126.6 | 176.4 | 0 | 0 | 0 | 110.3 | ||||
| 205 | F | 25 | Very low | 27.7 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | 64.8 | 169.8 | 166.7 | -62.7 | -56.6 | 0 | 0 | 0 | 118.7 | ||||
| 206 | S | 25.3 | Very low | 27.3 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | cis | -173.9 | 143.9 | -33.2 | -172.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 207 | V | 24.3 | Very low | 27.5 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | 68.5 | 144.2 | 143.8 | 159.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 208 | N | 24.3 | Very low | 28 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | 101.9 | 159.5 | 151.7 | -95.2 | 9.3 | 0 | 0 | 0 | 124.5 | ||||
| 209 | E | 28.7 | Very low | 28.4 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -97.7 | 159.5 | -160.2 | -49.6 | 171.5 | 108.5 | 0 | 0 | 115.1 | ||||
| 210 | Q | 25.3 | Very low | 28.9 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -160.2 | 147.1 | 143.5 | -160.3 | 68.9 | 43.1 | 0 | 0 | 109.5 | ||||
| 211 | Q | 28.8 | Very low | 30 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -107.1 | 135.9 | 166.5 | -76.7 | -172 | -5.9 | 0 | 0 | 110.6 | ||||
| 212 | D | 21.8 | Very low | 31.2 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -164 | 158.5 | 151.9 | -97.8 | -39 | 0 | 0 | 0 | 109.8 | ||||
| 213 | L | 36.1 | Very low | 32.5 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -145.7 | 164 | 178.9 | -95 | 113.9 | 0 | 0 | 0 | 109.7 | ||||
| 214 | P | 41.5 | Very low | 33.9 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | cis | -128.4 | 161.3 | -2 | 39.1 | -25.2 | 0 | 0 | 0 | 114.4 | ||||
| 215 | L | 23.9 | Very low | 35.4 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -159.4 | 156.2 | 147.9 | -116 | 161.8 | 0 | 0 | 0 | 113.7 | ||||
| 216 | L | 31.5 | Very low | 36.8 | Very low | 155 Ų | 155 | 134 Ų | 134 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | -57.3 | 130.7 | -172.2 | -179.5 | 71.2 | 0 | 0 | 0 | 114.3 | ||||
| 217 | A | 28.4 | Very low | 39 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | -135.2 | 112.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V219 | A217-V219 PolarHBondContact O-N 3Š| ||
| 218 | E | 35.6 | Very low | 41.2 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | trans | -79.6 | 99.5 | -177.1 | -175.7 | 179 | 166.8 | 0 | 0 | 111 | T220 | E218-T220 PolarHBondContact O-N 3.47Å; E218-T220 VanDerWaalsContact O-N 3.14Å | ||
| 219 | V | 33.8 | Very low | 43.5 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | trans | -77.4 | 100.1 | 172.9 | -179 | 0 | 0 | 0 | 0 | 109.2 | A217 P221 | A217-V219 PolarHBondContact O-N 3Å; V219-P221 WeakPolarHBondContact O-CD 3.32Å | ||
| 220 | T | 38.8 | Very low | 45.6 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 120.1 | 174.1 | 45.3 | 0 | 0 | 0 | 0 | 111.4 | E218 D222 | E218-T220 PolarHBondContact O-N 3.47Å; E218-T220 VanDerWaalsContact O-N 3.14Å; T220-D222 PolarHBondContact O-N 3.17Å |
| 221 | P | 49 | Very low | 48.5 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 131.1 | 176 | -20.3 | 33 | 0 | 0 | 0 | 111.1 | V219 P223 | V219-P221 WeakPolarHBondContact O-CD 3.32Å; P221-P223 WeakPolarHBondContact O-CD 3.26Å |
| 222 | D | 53 | Low | 51 | Low | 85 Ų | 85 | 118.6 Ų | 118.6 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 120.5 | 174.8 | 169.1 | 20.6 | 0 | 0 | 0 | 110.4 | T220 Y224 V225 M226 | T220-D222 PolarHBondContact O-N 3.17Å; D222-Y224 PolarHBondContact O-N 3.04Å; D222-Y224 VanDerWaalsContact O-N 3.09Å; D222-Y224 WeakPolarHBondContact OD1-CB 3.24Å; D222-Y224 PolarHBondContact OD1-N 2.93Å; D222-Y224 WeakPolarHBondContact OD2-CB 3.38Å; D222-V225 HydrophobicContact CB-CB 4.46Å; D222-V225 HydrophobicContact CB-CG2 4.05Å; D222-V225 PolarHBondContact O-N 3.24Å; D222-V225 VanDerWaalsContact O-N 3.13Å; D222-V225 PolarHBondContact OD2-N 3.49Å; D222-M226 PolarHBondContact O-N 3.46Å |
| 223 | P | 54.4 | Low | 54.1 | Low | 105 Ų | 105 | 117.9 Ų | 117.9 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.8 | -23.7 | 178.9 | 24.4 | -34.9 | 0 | 0 | 0 | 112.7 | P221 S227 | P221-P223 WeakPolarHBondContact O-CD 3.26Å; P223-S227 VanDerWaalsContact O-CB 3.23Å; P223-S227 WeakPolarHBondContact O-CB 3.48Å; P223-S227 PolarHBondContact O-N 3.12Å |
| 224 | Y | 53.3 | Low | 56.4 | Low | 180 Ų | 180 | 116.6 Ų | 116.6 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74 | -36.9 | 177.6 | -127.4 | -94.2 | 0 | 0 | 0 | 113.3 | D222 S227 L228 | D222-Y224 PolarHBondContact O-N 3.04Å; D222-Y224 VanDerWaalsContact O-N 3.09Å; D222-Y224 WeakPolarHBondContact OD1-CB 3.24Å; D222-Y224 PolarHBondContact OD1-N 2.93Å; D222-Y224 WeakPolarHBondContact OD2-CB 3.38Å; Y224-S227 PolarHBondContact O-N 3.45Å; Y224-L228 WeakPolarHBondContact O-CB 3.47Å; Y224-L228 PolarHBondContact O-N 3.14Å |
| 225 | V | 60.1 | Low | 58.4 | Low | 89 Ų | 89 | 113.5 Ų | 113.5 | 54% | 0.539 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.2 | -49.3 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | D222 S227 L228 Q229 | D222-V225 HydrophobicContact CB-CB 4.46Å; D222-V225 HydrophobicContact CB-CG2 4.05Å; D222-V225 PolarHBondContact O-N 3.24Å; D222-V225 VanDerWaalsContact O-N 3.13Å; D222-V225 PolarHBondContact OD2-N 3.49Å; V225-S227 VanDerWaalsContact C-N 3.29Å; V225-S227 PolarHBondContact O-N 2.99Å; V225-L228 PolarHBondContact O-N 3.47Å; V225-Q229 WeakPolarHBondContact O-CB 3.49Å; V225-Q229 PolarHBondContact O-N 2.91Å |
| 226 | M | 55.2 | Low | 61.3 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 46% | 0.463 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.2 | -35.8 | 178.9 | -163.4 | 62 | 65.3 | 0 | 0 | 111.6 | D222 N230 | D222-M226 PolarHBondContact O-N 3.46Å; M226-N230 WeakPolarHBondContact O-CB 3.39Å; M226-N230 PolarHBondContact O-N 3.37Å; M226-N230 PolarHBondContact O-ND2 2.85Å |
| 227 | S | 71.7 | Confident | 63.7 | Low | 68 Ų | 68 | 108.2 Ų | 108.2 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65 | -48.7 | 173.6 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | P223 Y224 V225 N230 L231 | P223-S227 VanDerWaalsContact O-CB 3.23Å; P223-S227 WeakPolarHBondContact O-CB 3.48Å; P223-S227 PolarHBondContact O-N 3.12Å; Y224-S227 PolarHBondContact O-N 3.45Å; V225-S227 VanDerWaalsContact C-N 3.29Å; V225-S227 PolarHBondContact O-N 2.99Å; S227-N230 PolarHBondContact O-N 3.46Å; S227-L231 WeakPolarHBondContact O-CB 3.46Å; S227-L231 PolarHBondContact O-N 3.09Å |
| 228 | L | 70.9 | Confident | 66.2 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -41.2 | 179.1 | -179.6 | 59.9 | 0 | 0 | 0 | 111.9 | Y224 V225 L231 M232 | Y224-L228 WeakPolarHBondContact O-CB 3.47Å; Y224-L228 PolarHBondContact O-N 3.14Å; V225-L228 PolarHBondContact O-N 3.47Å; L228-L231 PolarHBondContact O-N 2.82Å; L228-M232 HydrophobicContact CD1-CG 4.34Å; L228-M232 WeakPolarHBondContact O-CB 3.32Å; L228-M232 VanDerWaalsContact O-CG 3.24Å; L228-M232 WeakPolarHBondContact O-CG 3.39Å; L228-M232 PolarHBondContact O-N 2.72Å |
| 229 | Q | 71.7 | Confident | 68.4 | Low | 124 Ų | 124 | 108.1 Ų | 108.1 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.1 | -41 | 176.1 | -165.3 | -179.3 | 23.2 | 0 | 0 | 111.2 | V225 M232 K233 | V225-Q229 WeakPolarHBondContact O-CB 3.49Å; V225-Q229 PolarHBondContact O-N 2.91Å; Q229-M232 PolarHBondContact O-N 2.98Å; Q229-K233 VanDerWaalsContact O-CB 3.28Å; Q229-K233 WeakPolarHBondContact O-CB 3.21Å; Q229-K233 PolarHBondContact O-N 3.15Å |
| 230 | N | 73.3 | Confident | 70.7 | Confident | 68 Ų | 68 | 108.1 Ų | 108.1 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.5 | -34.7 | 173.5 | -83.6 | -66.9 | 0 | 0 | 0 | 113.1 | M226 S227 K233 K234 | M226-N230 WeakPolarHBondContact O-CB 3.39Å; M226-N230 PolarHBondContact O-N 3.37Å; M226-N230 PolarHBondContact O-ND2 2.85Å; S227-N230 PolarHBondContact O-N 3.46Å; N230-K233 PolarHBondContact O-N 2.82Å; N230-K234 VanDerWaalsContact O-CB 3.29Å; N230-K234 WeakPolarHBondContact O-CB 3.47Å; N230-K234 VanDerWaalsContact O-CG 3.28Å; N230-K234 WeakPolarHBondContact O-CG 3.23Å; N230-K234 PolarHBondContact O-N 2.81Å |
| 231 | L | 85.8 | Confident | 72.6 | Confident | 114 Ų | 114 | 109.1 Ų | 109.1 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.8 | -43.3 | 174.1 | -177.4 | 62 | 0 | 0 | 0 | 111.2 | S227 L228 K234 S235 | S227-L231 WeakPolarHBondContact O-CB 3.46Å; S227-L231 PolarHBondContact O-N 3.09Å; L228-L231 PolarHBondContact O-N 2.82Å; L231-K234 PolarHBondContact O-N 2.91Å; L231-S235 VanDerWaalsContact O-CB 3.31Å; L231-S235 WeakPolarHBondContact O-CB 3.32Å; L231-S235 PolarHBondContact O-N 2.79Å; L231-S235 PolarHBondContact O-OG 2.89Å |
| 232 | M | 81.9 | Confident | 73.6 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 51% | 0.507 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 172.5 | -72.5 | -97.1 | 75.7 | 0 | 0 | 110.9 | L228 Q229 S235 K236 | L228-M232 HydrophobicContact CD1-CG 4.34Å; L228-M232 WeakPolarHBondContact O-CB 3.32Å; L228-M232 VanDerWaalsContact O-CG 3.24Å; L228-M232 WeakPolarHBondContact O-CG 3.39Å; L228-M232 PolarHBondContact O-N 2.72Å; Q229-M232 PolarHBondContact O-N 2.98Å; M232-S235 PolarHBondContact O-N 2.94Å; M232-S235 PolarHBondContact O-OG 3.05Å; M232-K236 PolarHBondContact O-N 3.01Å |
| 233 | K | 86.3 | Confident | 74.2 | Confident | 140 Ų | 140 | 108.3 Ų | 108.3 | 61% | 0.609 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.6 | -51.8 | 176.3 | -172.2 | 173.9 | -178.8 | 177.3 | 0 | 111.6 | Q229 N230 S235 K236 E237 | Q229-K233 VanDerWaalsContact O-CB 3.28Å; Q229-K233 WeakPolarHBondContact O-CB 3.21Å; Q229-K233 PolarHBondContact O-N 3.15Å; N230-K233 PolarHBondContact O-N 2.82Å; K233-S235 VanDerWaalsContact C-N 3.28Å; K233-S235 PolarHBondContact O-N 2.88Å; K233-K236 PolarHBondContact O-N 3.42Å; K233-E237 WeakPolarHBondContact O-CB 3.42Å; K233-E237 PolarHBondContact O-N 3.29Å |
| 234 | K | 84.5 | Confident | 74.8 | Confident | 138 Ų | 138 | 106.1 Ų | 106.1 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -32.3 | 176 | -74.3 | 174.7 | 178.2 | 179.1 | 0 | 112.8 | N230 L231 Y238 | N230-K234 VanDerWaalsContact O-CB 3.29Å; N230-K234 WeakPolarHBondContact O-CB 3.47Å; N230-K234 VanDerWaalsContact O-CG 3.28Å; N230-K234 WeakPolarHBondContact O-CG 3.23Å; N230-K234 PolarHBondContact O-N 2.81Å; L231-K234 PolarHBondContact O-N 2.91Å; K234-Y238 WeakPolarHBondContact O-CB 3.24Å; K234-Y238 PolarHBondContact O-N 2.81Å |
| 235 | S | 83.5 | Confident | 75.5 | Confident | 43 Ų | 43 | 105.4 Ų | 105.4 | 30% | 0.301 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70 | -42 | 176 | 76.9 | 0 | 0 | 0 | 0 | 112.3 | L231 M232 K233 Y238 I239 | L231-S235 VanDerWaalsContact O-CB 3.31Å; L231-S235 WeakPolarHBondContact O-CB 3.32Å; L231-S235 PolarHBondContact O-N 2.79Å; L231-S235 PolarHBondContact O-OG 2.89Å; M232-S235 PolarHBondContact O-N 2.94Å; M232-S235 PolarHBondContact O-OG 3.05Å; K233-S235 VanDerWaalsContact C-N 3.28Å; K233-S235 PolarHBondContact O-N 2.88Å; S235-Y238 PolarHBondContact O-N 3.34Å; S235-I239 VanDerWaalsContact O-CG1 3.28Å; S235-I239 WeakPolarHBondContact O-CG1 3.28Å; S235-I239 PolarHBondContact O-N 3.41Å |
| 236 | K | 84.9 | Confident | 75.5 | Confident | 149 Ų | 149 | 108.8 Ų | 108.8 | 65% | 0.648 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -49.7 | 172.3 | -69.3 | -178.4 | 178.2 | -174.7 | 0 | 110.9 | M232 K233 Y238 I239 E240 | M232-K236 PolarHBondContact O-N 3.01Å; K233-K236 PolarHBondContact O-N 3.42Å; K236-Y238 VanDerWaalsContact C-N 3.25Å; K236-Y238 PolarHBondContact O-N 3.42Å; K236-I239 PolarHBondContact O-N 3.39Å; K236-I239 VanDerWaalsContact O-N 3.11Å; K236-E240 WeakPolarHBondContact O-CB 3.41Å; K236-E240 PolarHBondContact O-N 3.48Å |
| 237 | E | 81.9 | Confident | 75.4 | Confident | 70 Ų | 70 | 108.1 Ų | 108.1 | 33% | 0.327 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -29.6 | 178.2 | -155.3 | -163.1 | 143.8 | 0 | 0 | 112.8 | K233 R241 | K233-E237 WeakPolarHBondContact O-CB 3.42Å; K233-E237 PolarHBondContact O-N 3.29Å; E237-R241 VanDerWaalsContact CD-NH1 3.3Å; E237-R241 WeakPolarHBondContact O-CB 3.35Å; E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 2.86Å; E237-R241 IonicContact OE1-CZ 3.09Å; E237-R241 IonicContact OE1-NH1 2.78Å; E237-R241 PolarHBondContact OE1-NH1 3.41Å; E237-R241 IonicContact OE1-NH2 2.69Å; E237-R241 PolarHBondContact OE1-NH2 3.28Å |
| 238 | Y | 80.4 | Confident | 74.5 | Confident | 160 Ų | 160 | 111 Ų | 111 | 63% | 0.627 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.9 | -42.5 | 172.5 | -179.2 | -93.3 | 0 | 0 | 0 | 112.3 | K234 S235 K236 E240 R241 E242 | K234-Y238 WeakPolarHBondContact O-CB 3.24Å; K234-Y238 PolarHBondContact O-N 2.81Å; S235-Y238 PolarHBondContact O-N 3.34Å; K236-Y238 VanDerWaalsContact C-N 3.25Å; K236-Y238 PolarHBondContact O-N 3.42Å; Y238-E240 VanDerWaalsContact C-N 3.34Å; Y238-R241 PolarHBondContact O-N 2.89Å; Y238-E242 HydrophobicContact CE1-CG 4.19Å; Y238-E242 WeakPolarHBondContact O-CB 3.25Å; Y238-E242 PolarHBondContact O-N 2.84Å |
| 239 | I | 82 | Confident | 73.5 | Confident | 93 Ų | 93 | 113.5 Ų | 113.5 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 174.6 | -70.6 | 164.3 | 0 | 0 | 0 | 110.1 | S235 K236 E242 Q243 | S235-I239 VanDerWaalsContact O-CG1 3.28Å; S235-I239 WeakPolarHBondContact O-CG1 3.28Å; S235-I239 PolarHBondContact O-N 3.41Å; K236-I239 PolarHBondContact O-N 3.39Å; K236-I239 VanDerWaalsContact O-N 3.11Å; I239-E242 CarbonylContact O-C 3.53Å; I239-E242 PolarHBondContact O-N 2.81Å; I239-Q243 HydrophobicContact CG2-CG 4.45Å; I239-Q243 WeakPolarHBondContact O-CB 3.49Å; I239-Q243 WeakPolarHBondContact O-CG 3.39Å; I239-Q243 PolarHBondContact O-N 3.43Å |
| 240 | E | 81.8 | Confident | 72.2 | Confident | 129 Ų | 129 | 109.2 Ų | 109.2 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 176.3 | -174.1 | -179 | -176.4 | 0 | 0 | 112.3 | K236 Y238 E242 Q243 S244 | K236-E240 WeakPolarHBondContact O-CB 3.41Å; K236-E240 PolarHBondContact O-N 3.48Å; Y238-E240 VanDerWaalsContact C-N 3.34Å; E240-E242 VanDerWaalsContact C-N 3.34Å; E240-E242 PolarHBondContact O-N 3.37Å; E240-Q243 PolarHBondContact O-N 3.49Å; E240-S244 WeakPolarHBondContact O-CB 3.29Å; E240-S244 PolarHBondContact O-N 3.41Å; E240-S244 PolarHBondContact O-OG 3.39Å |
| 241 | R | 78.1 | Confident | 70.7 | Confident | 136 Ų | 136 | 109.1 Ų | 109.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 170.5 | -81.8 | -161.9 | -169.2 | 82.2 | 0.7 | 112.3 | E237 Y238 S244 R245 | E237-R241 VanDerWaalsContact CD-NH1 3.3Å; E237-R241 WeakPolarHBondContact O-CB 3.35Å; E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 2.86Å; E237-R241 IonicContact OE1-CZ 3.09Å; E237-R241 IonicContact OE1-NH1 2.78Å; E237-R241 PolarHBondContact OE1-NH1 3.41Å; E237-R241 IonicContact OE1-NH2 2.69Å; E237-R241 PolarHBondContact OE1-NH2 3.28Å; Y238-R241 PolarHBondContact O-N 2.89Å; R241-S244 WeakPolarHBondContact CA-OG 3.4Å; R241-S244 PolarHBondContact O-OG 2.85Å; R241-S244 VanDerWaalsContact O-OG 3.04Å; R241-R245 VanDerWaalsContact O-CB 3.25Å; R241-R245 WeakPolarHBondContact O-CB 3.37Å; R241-R245 WeakPolarHBondContact O-CD 3.41Å; R241-R245 WeakPolarHBondContact O-CG 3.4Å; R241-R245 PolarHBondContact O-N 2.82Å |
| 242 | E | 71.2 | Confident | 68.4 | Low | 47 Ų | 47 | 110.4 Ų | 110.4 | 22% | 0.22 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70.4 | -35.5 | 176.4 | -93.2 | -67 | 113.2 | 0 | 0 | 112.7 | Y238 I239 E240 R245 R246 | Y238-E242 HydrophobicContact CE1-CG 4.19Å; Y238-E242 WeakPolarHBondContact O-CB 3.25Å; Y238-E242 PolarHBondContact O-N 2.84Å; I239-E242 CarbonylContact O-C 3.53Å; I239-E242 PolarHBondContact O-N 2.81Å; E240-E242 VanDerWaalsContact C-N 3.34Å; E240-E242 PolarHBondContact O-N 3.37Å; E242-R245 IonicContact OE1-NE 2.71Å; E242-R245 PolarHBondContact OE1-NE 3.42Å; E242-R246 VanDerWaalsContact O-CB 3.31Å; E242-R246 WeakPolarHBondContact O-CB 3.38Å; E242-R246 WeakPolarHBondContact O-CD 3.48Å; E242-R246 WeakPolarHBondContact O-CG 3.43Å; E242-R246 PolarHBondContact O-N 2.84Å; E242-R246 PolarHBondContact O-NE 3.21Å; E242-R246 IonicContact OE2-CZ 2.77Å; E242-R246 VanDerWaalsContact OE2-CZ 3.26Å; E242-R246 IonicContact OE2-NE 2.73Å; E242-R246 PolarHBondContact OE2-NE 2.9Å; E242-R246 IonicContact OE2-NH2 3.13Å; E242-R246 PolarHBondContact OE2-NH2 2.79Å |
| 243 | Q | 65.9 | Low | 66.6 | Low | 122 Ų | 122 | 111.8 Ų | 111.8 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -45.7 | 173.7 | -75.8 | -178 | -3.2 | 0 | 0 | 111.7 | I239 E240 R246 S247 | I239-Q243 HydrophobicContact CG2-CG 4.45Å; I239-Q243 WeakPolarHBondContact O-CB 3.49Å; I239-Q243 WeakPolarHBondContact O-CG 3.39Å; I239-Q243 PolarHBondContact O-N 3.43Å; E240-Q243 PolarHBondContact O-N 3.49Å; Q243-R246 CarbonylContact O-C 3.57Å; Q243-R246 PolarHBondContact O-N 3.29Å; Q243-R246 VanDerWaalsContact O-N 3.14Å; Q243-S247 PolarHBondContact O-N 2.85Å |
| 244 | S | 66.7 | Low | 64.3 | Low | 60 Ų | 60 | 114.1 Ų | 114.1 | 42% | 0.42 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 175.5 | 52.1 | 0 | 0 | 0 | 0 | 113 | E240 R241 R246 S247 L248 | E240-S244 WeakPolarHBondContact O-CB 3.29Å; E240-S244 PolarHBondContact O-N 3.41Å; E240-S244 PolarHBondContact O-OG 3.39Å; R241-S244 WeakPolarHBondContact CA-OG 3.4Å; R241-S244 PolarHBondContact O-OG 2.85Å; R241-S244 VanDerWaalsContact O-OG 3.04Å; S244-R246 VanDerWaalsContact C-N 3.31Å; S244-R246 PolarHBondContact O-N 3.2Å; S244-S247 WeakPolarHBondContact CA-OG 3.48Å; S244-S247 PolarHBondContact O-N 3.19Å; S244-S247 PolarHBondContact O-OG 3.47Å; S244-L248 WeakPolarHBondContact O-CB 3.35Å; S244-L248 PolarHBondContact O-N 3.25Å |
| 245 | R | 68 | Low | 62.2 | Low | 164 Ų | 164 | 114.4 Ų | 114.4 | 62% | 0.619 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.1 | -32.5 | 170.8 | -70.1 | 159.3 | 74.8 | 81.2 | -2.7 | 112.2 | R241 E242 K249 | R241-R245 VanDerWaalsContact O-CB 3.25Å; R241-R245 WeakPolarHBondContact O-CB 3.37Å; R241-R245 WeakPolarHBondContact O-CD 3.41Å; R241-R245 WeakPolarHBondContact O-CG 3.4Å; R241-R245 PolarHBondContact O-N 2.82Å; E242-R245 IonicContact OE1-NE 2.71Å; E242-R245 PolarHBondContact OE1-NE 3.42Å; R245-K249 WeakPolarHBondContact O-CB 3.48Å; R245-K249 PolarHBondContact O-N 3.45Å |
| 246 | R | 60.6 | Low | 60.1 | Low | 160 Ų | 160 | 117.9 Ų | 117.9 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -77.1 | -37.2 | 175.5 | -71 | 161.8 | -161.8 | -169.8 | 6.2 | 112.4 | E242 Q243 S244 K249 G250 | E242-R246 VanDerWaalsContact O-CB 3.31Å; E242-R246 WeakPolarHBondContact O-CB 3.38Å; E242-R246 WeakPolarHBondContact O-CD 3.48Å; E242-R246 WeakPolarHBondContact O-CG 3.43Å; E242-R246 PolarHBondContact O-N 2.84Å; E242-R246 PolarHBondContact O-NE 3.21Å; E242-R246 IonicContact OE2-CZ 2.77Å; E242-R246 VanDerWaalsContact OE2-CZ 3.26Å; E242-R246 IonicContact OE2-NE 2.73Å; E242-R246 PolarHBondContact OE2-NE 2.9Å; E242-R246 IonicContact OE2-NH2 3.13Å; E242-R246 PolarHBondContact OE2-NH2 2.79Å; Q243-R246 CarbonylContact O-C 3.57Å; Q243-R246 PolarHBondContact O-N 3.29Å; Q243-R246 VanDerWaalsContact O-N 3.14Å; S244-R246 VanDerWaalsContact C-N 3.31Å; S244-R246 PolarHBondContact O-N 3.2Å; R246-K249 PolarHBondContact O-N 3.26Å; R246-G250 PolarHBondContact O-N 3.2Å |
| 247 | S | 52.1 | Low | 57.8 | Low | 80 Ų | 80 | 117.6 Ų | 117.6 | 56% | 0.559 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.1 | -43.1 | 175.3 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | Q243 S244 K249 G250 S251 | Q243-S247 PolarHBondContact O-N 2.85Å; S244-S247 WeakPolarHBondContact CA-OG 3.48Å; S244-S247 PolarHBondContact O-N 3.19Å; S244-S247 PolarHBondContact O-OG 3.47Å; S247-K249 VanDerWaalsContact C-N 3.31Å; S247-K249 PolarHBondContact O-N 3.42Å; S247-G250 CarbonylContact O-C 3.57Å; S247-G250 PolarHBondContact O-N 2.99Å; S247-G250 VanDerWaalsContact O-N 3.1Å; S247-S251 PolarHBondContact O-N 2.98Å |
| 248 | L | 52.5 | Low | 55.4 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 68% | 0.681 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.1 | -40.4 | 173.9 | -169 | 67.8 | 0 | 0 | 0 | 111.8 | S244 S251 M252 | S244-L248 WeakPolarHBondContact O-CB 3.35Å; S244-L248 PolarHBondContact O-N 3.25Å; L248-S251 PolarHBondContact O-N 3.33Å; L248-M252 PolarHBondContact O-N 2.95Å |
| 249 | K | 50.3 | Low | 53 | Low | 154 Ų | 154 | 119.9 Ų | 119.9 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71 | -32.4 | 174.3 | -166.7 | 172.4 | -177.4 | -179.7 | 0 | 113 | R245 R246 S247 S251 M253 | R245-K249 WeakPolarHBondContact O-CB 3.48Å; R245-K249 PolarHBondContact O-N 3.45Å; R246-K249 PolarHBondContact O-N 3.26Å; S247-K249 VanDerWaalsContact C-N 3.31Å; S247-K249 PolarHBondContact O-N 3.42Å; K249-S251 VanDerWaalsContact C-N 3.34Å; K249-M253 VanDerWaalsContact O-CG 3.31Å; K249-M253 WeakPolarHBondContact O-CG 3.24Å; K249-M253 PolarHBondContact O-N 3.4Å |
| 250 | G | 44.1 | Very low | 50.5 | Low | 33 Ų | 33 | 124.4 Ų | 124.4 | 34% | 0.34 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.1 | -19.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R246 S247 | R246-G250 PolarHBondContact O-N 3.2Å; S247-G250 CarbonylContact O-C 3.57Å; S247-G250 PolarHBondContact O-N 2.99Å; S247-G250 VanDerWaalsContact O-N 3.1Å |
| 251 | S | 42.3 | Very low | 48 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 46% | 0.462 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.4 | -52.5 | 167.8 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | S247 L248 K249 M253 R254 | S247-S251 PolarHBondContact O-N 2.98Å; L248-S251 PolarHBondContact O-N 3.33Å; K249-S251 VanDerWaalsContact C-N 3.34Å; S251-M253 PolarHBondContact O-N 2.78Å; S251-M253 VanDerWaalsContact O-N 3.13Å; S251-R254 PolarHBondContact O-N 3.05Å |
| 252 | M | 38 | Very low | 45.7 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -55 | -34.7 | 179.6 | -169.4 | 74.6 | 76.8 | 0 | 0 | 113.5 | L248 | L248-M252 PolarHBondContact O-N 2.95Å |
| 253 | M | 43.8 | Very low | 44.2 | Very low | 132 Ų | 132 | 135 Ų | 135 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -6.4 | -179.3 | -65.3 | -65.2 | -63.5 | 0 | 0 | 114.5 | K249 S251 | K249-M253 VanDerWaalsContact O-CG 3.31Å; K249-M253 WeakPolarHBondContact O-CG 3.24Å; K249-M253 PolarHBondContact O-N 3.4Å; S251-M253 PolarHBondContact O-N 2.78Å; S251-M253 VanDerWaalsContact O-N 3.13Å |
| 254 | R | 38.3 | Very low | 42.6 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -1.5 | -175.9 | -145.3 | -172.3 | -55.4 | 174.1 | 3.4 | 114.5 | S251 | S251-R254 PolarHBondContact O-N 3.05Š|
| 255 | I | 38.9 | Very low | 41 | Very low | 144 Ų | 144 | 141 Ų | 141 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -104.7 | -4.5 | -176.9 | -64.1 | 172.9 | 0 | 0 | 0 | 111.8 | ||
| 256 | V | 41.1 | Very low | 39.2 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -108 | -19.1 | -170.4 | -177.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 257 | N | 35.3 | Very low | 37.8 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -125.8 | 52.7 | -171.4 | -73.1 | 11.6 | 0 | 0 | 0 | 113 | ||
| 258 | E | 31.4 | Very low | 36.7 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -148.1 | 81.8 | 174.7 | -169.1 | 160.1 | -143.9 | 0 | 0 | 112 | ||||
| 259 | S | 30.1 | Very low | 35.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | 179.7 | 93.2 | 159.7 | -83.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 260 | H | 31.2 | Very low | 34.6 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | trans | -166.6 | 138 | 150.3 | -97.3 | -53.6 | 0 | 0 | 0 | 111 | ||||
| 261 | L | 28.1 | Very low | 33.9 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 66.3 | 106.6 | 166.7 | -59.5 | 165.8 | 0 | 0 | 0 | 117 | ||||
| 262 | D | 29.2 | Very low | 33 | Very low | 162 Ų | 162 | 149 Ų | 149 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | -160.3 | 134.9 | 123 | -121.2 | -14.7 | 0 | 0 | 0 | 112.1 | |||||
| 263 | K | 40.7 | Very low | 32.5 | Very low | 208 Ų | 208 | 147.2 Ų | 147.2 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | 141.5 | 119.5 | 155.3 | -81.3 | 173.4 | -179 | -177.6 | 0 | 113.8 | ||||
| 264 | E | 32.1 | Very low | 31.6 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -143.3 | 157.8 | 169.8 | -175.7 | 172.7 | -155.3 | 0 | 0 | 107.9 | ||||
| 265 | N | 33.6 | Very low | 31.1 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 73.3 | 145.5 | -174.6 | -41.2 | -77.4 | 0 | 0 | 0 | 114.2 | ||||
| 266 | D | 29.7 | Very low | 30.5 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | cis | -143.1 | 178.3 | -0.4 | -146 | -30.9 | 0 | 0 | 0 | 111.4 | ||||
| 267 | A | 30.5 | Very low | 29.8 | Very low | 81 Ų | 81 | 149.2 Ų | 149.2 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | -100.6 | 164.8 | -164 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 268 | V | 29.9 | Very low | 29.2 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | 164.2 | 146.8 | 128.6 | 158.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 269 | K | 32.1 | Very low | 29 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -33.7 | 150.9 | 172.8 | -50.6 | 171.8 | -175.3 | 176.7 | 0 | 114.5 | ||||
| 270 | V | 26.5 | Very low | 28.9 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | -150.7 | 164.2 | 54.2 | 164.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 271 | A | 28.6 | Very low | 28.7 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -92 | 149.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 272 | D | 25 | Very low | 28.4 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | -155.5 | 172.6 | 128.9 | -136.8 | -39.3 | 0 | 0 | 0 | 111.8 | |||||
| 273 | C | 25.4 | Very low | 28.5 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 156.9 | -176 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 274 | V | 25.6 | Very low | 27.7 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | -174.8 | 160.5 | 80.9 | 158 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 275 | K | 28.6 | Very low | 27.6 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | -1.3 | 146.3 | 160.5 | -57.7 | 166.1 | -175 | 172.5 | 0 | 118.3 | ||||
| 276 | E | 24.8 | Very low | 27.2 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | cis | -163.7 | 176.4 | 43.8 | -144.5 | -176.5 | 170.2 | 0 | 0 | 113.9 | ||||
| 277 | K | 26.4 | Very low | 27 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | 3 | 140.4 | 161.8 | -65.9 | 154.7 | -177.3 | 156.9 | 0 | 118.7 | ||||
| 278 | A | 24.3 | Very low | 26.7 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | cis | -165.4 | 159.2 | 35.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 279 | Q | 26.9 | Very low | 27 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -18.9 | 159.8 | 141.6 | -80.9 | 168.6 | -44.4 | 0 | 0 | 118.7 | ||||
| 280 | L | 27 | Very low | 27.3 | Very low | 137 Ų | 137 | 129 Ų | 129 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | cis | -157.7 | 165 | 16.1 | -108.4 | 147.3 | 0 | 0 | 0 | 108.6 | ||||
| 281 | T | 26.7 | Very low | 27.2 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | 177.1 | 160.9 | 78.9 | 34.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 282 | G | 22.9 | Very low | 27.7 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | -152.7 | 102.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 283 | K | 30.3 | Very low | 28.4 | Very low | 202 Ų | 202 | 129.3 Ų | 129.3 | 88% | 0.878 | 71% | 0.713 | S | S | * | * | trans | 57.6 | 121.7 | 153.9 | -62.6 | 178 | -179.9 | 173.1 | 0 | 121.3 | ||||
| 284 | H | 24.3 | Very low | 28.5 | Very low | 191 Ų | 191 | 129.1 Ų | 129.1 | 88% | 0.884 | 71% | 0.713 | S | S | * | * | trans | 74.6 | 143.8 | 139.8 | -108.7 | -87.9 | 0 | 0 | 0 | 121.8 | ||||
| 285 | C | 29.9 | Very low | 28.9 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | trans | -111.8 | 166.4 | -179.8 | -44.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 286 | V | 26.5 | Very low | 28.8 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | 155.2 | 121.3 | 144.8 | 157.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 287 | S | 24.7 | Very low | 29.6 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 49% | 0.49 | 73% | 0.726 | S | S | . | * | -178.8 | 143.5 | 84.9 | -121.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 288 | V | 24.8 | Very low | 30 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 47% | 0.467 | 73% | 0.725 | S | S | . | * | 92.7 | 106.6 | 68.9 | 177.6 | 0 | 0 | 0 | 0 | 116.8 | L590 | V288-L590 HydrophobicContact CB-CD1 4Å; V288-L590 HydrophobicContact CG1-CD1 3.74Å | |||
| 289 | I | 35.7 | Very low | 30.2 | Very low | 125 Ų | 125 | 131 Ų | 131 | 64% | 0.641 | 73% | 0.727 | S | S | * | * | trans | 37.2 | 123.6 | 134.1 | -53.9 | 170.1 | 0 | 0 | 0 | 119.8 | ||||
| 290 | P | 38.1 | Very low | 30.4 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 44% | 0.442 | 73% | 0.726 | S | S | . | * | -137.8 | -174.2 | 89.3 | 15.2 | 9.5 | 0 | 0 | 0 | 114.3 | |||||
| 291 | D | 23.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | cis | -149.8 | -89 | -45.8 | -165.2 | -126.2 | 0 | 0 | 0 | 115.2 | ||||
| 292 | K | 38.9 | Very low | 30.5 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 70% | 0.704 | 73% | 0.727 | S | S | * | * | trans | -155.5 | 164.4 | -168.4 | -53 | 172.2 | -167.3 | 65.6 | 0 | 113.1 | ||||
| 293 | P | 39.7 | Very low | 30.8 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | -154.3 | 163.5 | 79.9 | 41.9 | -22 | 0 | 0 | 0 | 119.8 | |||||
| 294 | S | 28.6 | Very low | 30.7 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | 57.6 | 123.3 | 143.1 | 63 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 295 | L | 33.2 | Very low | 31 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | 52.4 | 122.8 | 132.8 | -70.9 | 164.8 | 0 | 0 | 0 | 121.9 | ||||
| 296 | N | 27.1 | Very low | 31.1 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | -163.4 | 172.8 | 110.7 | -104.4 | -42.9 | 0 | 0 | 0 | 113.2 | |||||
| 297 | K | 41.4 | Very low | 31.2 | Very low | 190 Ų | 190 | 123.3 Ų | 123.3 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | trans | -130.1 | 131.3 | -174.3 | -57.3 | 174.5 | -177.1 | 174.4 | 0 | 113 | ||||
| 298 | S | 34.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -176.2 | 124.7 | 159.7 | 36.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 299 | N | 30.1 | Very low | 31.4 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | 80.4 | 121.3 | 89 | -66.2 | -8.7 | 0 | 0 | 0 | 113 | |||||
| 300 | V | 31 | Very low | 30.8 | Very low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | 61.9 | 123.6 | 90.4 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 301 | L | 26.4 | Very low | 30.2 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | cis | -161.4 | 160.4 | 47.2 | -171.1 | 63.8 | 0 | 0 | 0 | 111.9 | ||||
| 302 | L | 28.4 | Very low | 30.5 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | -162 | 152.3 | 127.9 | -108.9 | 175.1 | 0 | 0 | 0 | 110.7 | |||||
| 303 | Q | 29.5 | Very low | 29.9 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -153.5 | 143.7 | -162.7 | -177.7 | 175.8 | 2.1 | 0 | 0 | 112.9 | ||||
| 304 | G | 29.2 | Very low | 29.3 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 135.4 | 140.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 305 | A | 30.1 | Very low | 30.3 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | cis | -162.1 | 154.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 306 | S | 32 | Very low | 29.9 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | 67.1 | 152.4 | 149.5 | -78.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 307 | T | 29.5 | Very low | 29.8 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -149.9 | 145.8 | 7.9 | -2.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 308 | Q | 27.2 | Very low | 28.9 | Very low | 186 Ų | 186 | 126.8 Ų | 126.8 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | 71.1 | 155.6 | 149.9 | -71 | -172.8 | 8.4 | 0 | 0 | 123.3 | ||||
| 309 | A | 24.9 | Very low | 28.5 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | 59.9 | 116.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 310 | S | 24.2 | Very low | 28.4 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | cis | 61 | 129.2 | 25.2 | 149.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 311 | S | 25.5 | Very low | 28.3 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -168.6 | -165.1 | -11.3 | 54.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 312 | M | 28.7 | Very low | 28.6 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | cis | -165 | -179.2 | 8.6 | -134.6 | -36.6 | 171.3 | 0 | 0 | 110.5 | ||||
| 313 | S | 26.5 | Very low | 28.8 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 81.9 | 166.4 | 154.8 | 82.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 314 | M | 27.4 | Very low | 28.6 | Very low | 168 Ų | 168 | 121 Ų | 121 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | trans | -160 | 168.9 | -172 | -79.7 | -79.3 | 105.4 | 0 | 0 | 106.3 | ||||
| 315 | P | 50.7 | Low | 28.8 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -137.6 | -158.2 | -25.4 | 34.9 | -12 | 0 | 0 | 0 | 112.8 | ||||
| 316 | V | 24.1 | Very low | 29.3 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | 84.9 | 128.2 | 150.1 | 166.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 317 | L | 25.6 | Very low | 29.1 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | 37.3 | 144 | 154.9 | -93.8 | 73.3 | 0 | 0 | 0 | 126 | ||||
| 318 | A | 22.4 | Very low | 28.9 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | trans | 69.8 | 161.8 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 319 | S | 24.9 | Very low | 29 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 53% | 0.531 | 74% | 0.742 | S | S | . | * | cis | -171.2 | 157.9 | -31.2 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 320 | F | 28.9 | Very low | 29.1 | Very low | 196 Ų | 196 | 127 Ų | 127 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | 67.4 | 159.4 | 173.4 | -41.9 | -67.5 | 0 | 0 | 0 | 115.1 | ||||
| 321 | S | 28.8 | Very low | 29.2 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | cis | -170 | -174.6 | -25.9 | 58.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 322 | K | 33 | Very low | 29 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 65% | 0.648 | 74% | 0.741 | S | S | * | * | cis | -157.4 | -179.6 | 2 | -160.5 | -145.1 | 151.1 | -142.5 | 0 | 107.8 | D324 | K322-D324 WeakPolarHBondContact CE-OD1 3.39Å; K322-D324 VanDerWaalsContact NZ-CG 3.32Å; K322-D324 IonicContact NZ-OD1 3.13Å; K322-D324 PolarHBondContact NZ-OD1 3.27Å; K322-D324 IonicContact NZ-OD2 2.68Å; K322-D324 PolarHBondContact NZ-OD2 3.01Å | ||
| 323 | V | 32.4 | Very low | 28.8 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | trans | 83.5 | 110.8 | 162.8 | -176.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 324 | D | 23.9 | Very low | 28.8 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 49% | 0.487 | 75% | 0.745 | S | S | . | * | cis | -162.9 | 157.9 | -18.8 | -106 | -8.2 | 0 | 0 | 0 | 107.4 | K322 | K322-D324 WeakPolarHBondContact CE-OD1 3.39Å; K322-D324 VanDerWaalsContact NZ-CG 3.32Å; K322-D324 IonicContact NZ-OD1 3.13Å; K322-D324 PolarHBondContact NZ-OD1 3.27Å; K322-D324 IonicContact NZ-OD2 2.68Å; K322-D324 PolarHBondContact NZ-OD2 3.01Å | ||
| 325 | I | 35 | Very low | 28.8 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | 42.6 | 126.7 | 84 | -62.2 | 174.9 | 0 | 0 | 0 | 111.9 | |||||
| 326 | P | 39.9 | Very low | 27.6 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | cis | -77 | -163.9 | 14.6 | -17.5 | 35.9 | 0 | 0 | 0 | 116 | ||||
| 327 | V | 27.6 | Very low | 27.8 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | cis | -142.5 | 158.3 | 28.1 | -144.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 328 | R | 25.9 | Very low | 27.8 | Very low | 225 Ų | 225 | 128.7 Ų | 128.7 | 85% | 0.849 | 74% | 0.736 | S | S | * | * | trans | -71.8 | 154.9 | 165.1 | -110 | -179.4 | 171.9 | 143.1 | -4.6 | 111.6 | ||||
| 329 | T | 29.3 | Very low | 28.2 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | cis | -153.5 | 151.3 | -3.2 | -21.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 330 | G | 27.2 | Very low | 28.4 | Very low | 57 Ų | 57 | 131.6 Ų | 131.6 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | 66.3 | 136.9 | 58.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 331 | H | 25 | Very low | 28.4 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 91% | 0.907 | 73% | 0.733 | S | S | * | * | cis | -162.6 | -169.5 | -3.9 | -122.7 | -76 | 0 | 0 | 0 | 110.1 | ||||
| 332 | S | 22.2 | Very low | 28.5 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | -92.6 | 157.2 | -178.1 | -53.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 333 | A | 23.6 | Very low | 28.3 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | 77.1 | 176.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 334 | V | 26.3 | Very low | 28.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | 98.1 | 93.2 | 169.4 | -171.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 335 | L | 27.7 | Very low | 28.7 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | 75.4 | 138.1 | 122.8 | -146 | 77.1 | 0 | 0 | 0 | 123.5 | |||||
| 336 | E | 26 | Very low | 28.3 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 63.9 | 117.3 | 147.2 | -87.4 | 171.4 | -140.1 | 0 | 0 | 125.1 | ||||
| 337 | S | 27.9 | Very low | 27.7 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | 70 | 137.6 | 116 | -63.8 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 338 | N | 26.2 | Very low | 27.8 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | 90.3 | 137.8 | 144.6 | -64.4 | -19.9 | 0 | 0 | 0 | 122.4 | ||||
| 339 | S | 30 | Very low | 27.9 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | 60.2 | 110.3 | 143.6 | 61.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 340 | D | 28.9 | Very low | 28 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | 78.1 | 129.7 | 115.5 | -66.9 | -39.4 | 0 | 0 | 0 | 124.4 | |||||
| 341 | F | 30.2 | Very low | 28.1 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | 60.3 | 105.2 | 142.5 | -82.6 | -94.8 | 0 | 0 | 0 | 122.9 | ||||
| 342 | K | 29.5 | Very low | 28.4 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 73.8 | 161 | 133.8 | -79.8 | -173.8 | 178.3 | 179.8 | 0 | 121.4 | ||||
| 343 | V | 30.6 | Very low | 28.8 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 90.6 | 136.2 | 165 | -167 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 344 | I | 27.7 | Very low | 29.2 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -121.2 | 129.6 | 179.8 | -68 | 162.9 | 0 | 0 | 0 | 106.8 | ||||
| 345 | P | 35.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | -146.5 | 129.7 | 113.2 | 32.6 | -15 | 0 | 0 | 0 | 113.9 | |||||
| 346 | T | 27.1 | Very low | 29.4 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 60% | 0.595 | 73% | 0.73 | S | S | * | * | 112.4 | 130.4 | 56 | -32 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 347 | F | 28.1 | Very low | 29.7 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | trans | 79.5 | 154.1 | 161.1 | -60.7 | -55.2 | 0 | 0 | 0 | 122.8 | ||||
| 348 | V | 28.4 | Very low | 29.8 | Very low | 136 Ų | 136 | 138 Ų | 138 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | 76 | 136 | 166.7 | -169.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 349 | T | 29 | Very low | 29.9 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | -167.9 | 165.6 | -29.4 | -88.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 350 | E | 30.3 | Very low | 29.9 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | 70.9 | 98.6 | 162.6 | -87.9 | 158.6 | -123.5 | 0 | 0 | 121 | ||||
| 351 | N | 30.8 | Very low | 29.9 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 56.3 | 127.2 | 111 | -66.5 | -23.8 | 0 | 0 | 0 | 122.7 | |||||
| 352 | N | 31.4 | Very low | 30.1 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | 93.2 | 115.4 | 134.6 | -74.2 | -25.9 | 0 | 0 | 0 | 122.8 | ||||
| 353 | V | 29.7 | Very low | 30.4 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | 99.1 | 94 | 120.1 | 167.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 354 | I | 32.8 | Very low | 30.9 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 64% | 0.641 | 76% | 0.764 | S | S | * | * | 78.6 | 135.8 | 126.5 | -65.7 | -177.1 | 0 | 0 | 0 | 121 | |||||
| 355 | K | 30.9 | Very low | 31.5 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 70.6 | 154.5 | 164.9 | -73.7 | 153.7 | -155.7 | 153.9 | 0 | 116.4 | ||||
| 356 | S | 27.5 | Very low | 31.2 | Very low | 87 Ų | 87 | 137 Ų | 137 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | cis | -177.8 | 165.5 | -20.4 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 357 | L | 30.7 | Very low | 32 | Very low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 71.7 | 160.8 | 167.1 | -52.4 | 165.6 | 0 | 0 | 0 | 115.1 | ||||
| 358 | T | 30.9 | Very low | 32.4 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | cis | -167.6 | 142.2 | -28.6 | -89.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 359 | G | 28.3 | Very low | 32.7 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | 110.7 | 158.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 360 | S | 29.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | cis | -141.9 | 169.5 | 2.8 | -161.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 361 | Y | 29.7 | Very low | 33 | Very low | 227 Ų | 227 | 138.1 Ų | 138.1 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -79.5 | 146.2 | -179.1 | -85.2 | -119.8 | 0 | 0 | 0 | 112.5 | ||||
| 362 | A | 33.3 | Very low | 33.2 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | 152.1 | 117.5 | 105.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 363 | K | 36.4 | Very low | 33.6 | Very low | 211 Ų | 211 | 135.6 Ų | 135.6 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -172.4 | 124.3 | 138.5 | -103.1 | 157.7 | -174.2 | 177.8 | 0 | 109.7 | ||||
| 364 | L | 41.1 | Very low | 33.9 | Very low | 166 Ų | 166 | 140 Ų | 140 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -134.3 | 148.5 | 174.3 | -68.2 | 175 | 0 | 0 | 0 | 107.5 | ||||
| 365 | P | 41.2 | Very low | 33.7 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | -141.9 | 126.7 | 92.6 | 32.5 | -14.9 | 0 | 0 | 0 | 113.1 | |||||
| 366 | S | 29.4 | Very low | 33.8 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | 83.2 | 163.1 | 88.9 | 87.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 367 | P | 42.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | cis | -125.8 | 148.5 | -47.8 | 35.2 | -21 | 0 | 0 | 0 | 113.2 | ||||
| 368 | E | 35.7 | Very low | 34.4 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -78.9 | 149 | 175.8 | -68.2 | -171.6 | 142.1 | 0 | 0 | 113.9 | ||||
| 369 | P | 34.8 | Very low | 34.5 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | trans | -75.3 | 130.2 | 179.2 | 30.3 | -34.7 | 0 | 0 | 0 | 112.8 | M371 | P369-M371 PolarHBondContact O-N 3.18Š| ||
| 370 | S | 30.3 | Very low | 34.6 | Very low | 115 Ų | 115 | 160.1 Ų | 160.1 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -75.3 | 109.8 | -175.4 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 371 | M | 35.3 | Very low | 34.8 | Very low | 173 Ų | 173 | 165.3 Ų | 165.3 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 133.4 | 166.4 | -76.2 | -64 | 105.9 | 0 | 0 | 111.6 | P369 | P369-M371 PolarHBondContact O-N 3.18Š|
| 372 | S | 35.8 | Very low | 35 | Very low | 102 Ų | 102 | 160.3 Ų | 160.3 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 152.5 | -165.3 | 52.3 | 0 | 0 | 0 | 0 | 114 | K374 | S372-K374 PolarHBondContact O-N 3.41Š|
| 373 | P | 39.2 | Very low | 34.9 | Very low | 127 Ų | 127 | 161.4 Ų | 161.4 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 126 | -178.2 | -23.9 | 34.5 | 0 | 0 | 0 | 113 | M375 | P373-M375 PolarHBondContact O-N 3Š|
| 374 | K | 36.2 | Very low | 35.1 | Very low | 204 Ų | 204 | 156.3 Ų | 156.3 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 124.3 | 174.3 | -74.1 | 177.4 | 177.6 | 172.1 | 0 | 110.6 | S372 H376 | S372-K374 PolarHBondContact O-N 3.41Å; K374-H376 PolarHBondContact O-N 2.69Å |
| 375 | M | 29.2 | Very low | 34.9 | Very low | 173 Ų | 173 | 152.2 Ų | 152.2 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 136 | 178.8 | -74.2 | -176.8 | 66.8 | 0 | 0 | 111.9 | P373 R377 | P373-M375 PolarHBondContact O-N 3Å; M375-R377 PolarHBondContact O-N 3.32Å |
| 376 | H | 33.7 | Very low | 34.7 | Very low | 184 Ų | 184 | 152.7 Ų | 152.7 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -59 | 111.5 | 163.5 | -92.6 | 55 | 0 | 0 | 0 | 109.8 | K374 R378 | K374-H376 PolarHBondContact O-N 2.69Å; H376-R378 PolarHBondContact O-N 2.79Å | ||
| 377 | R | 35.7 | Very low | 34.9 | Very low | 250 Ų | 250 | 155.2 Ų | 155.2 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -62.9 | 105.9 | 174.1 | -157.6 | 179.2 | -164.1 | -165.4 | 5.8 | 108.1 | M375 R379 | M375-R377 PolarHBondContact O-N 3.32Å; R377-R379 PolarHBondContact O-N 2.73Å | ||
| 378 | R | 33.6 | Very low | 34.9 | Very low | 231 Ų | 231 | 157 Ų | 157 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 135.3 | -176.4 | -69.6 | -176.1 | 175 | -168.5 | -0.5 | 109.7 | H376 S380 | H376-R378 PolarHBondContact O-N 2.79Å; R378-S380 PolarHBondContact O-N 2.71Å |
| 379 | R | 34.3 | Very low | 35 | Very low | 230 Ų | 230 | 155.7 Ų | 155.7 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 124.6 | 169.1 | -75.4 | 179.6 | 174.5 | -103.8 | 4.3 | 109.1 | R377 R381 | R377-R379 PolarHBondContact O-N 2.73Å; R379-R381 PolarHBondContact O-N 2.84Å |
| 380 | S | 29.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 156.7 Ų | 156.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.1 | 154.6 | 38 | 0 | 0 | 0 | 0 | 107.8 | R378 | R378-S380 PolarHBondContact O-N 2.71Š|
| 381 | R | 34.6 | Very low | 35.7 | Very low | 232 Ų | 232 | 158 Ų | 158 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 144.3 | 170.5 | -78.9 | -173.1 | 172 | -163 | -0.6 | 108.6 | R379 S383 | R379-R381 PolarHBondContact O-N 2.84Å; R381-S383 PolarHBondContact O-N 2.86Å |
| 382 | T | 33.2 | Very low | 35.8 | Very low | 123 Ų | 123 | 156.7 Ų | 156.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -69.9 | 105.8 | 168.8 | 46.9 | 0 | 0 | 0 | 0 | 109.4 | S384 | T382-S384 VanDerWaalsContact C-N 3.32Å; T382-S384 PolarHBondContact O-N 3.22Å | ||
| 383 | S | 31 | Very low | 36.2 | Very low | 110 Ų | 110 | 157.9 Ų | 157.9 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -74.4 | 83 | 173.6 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | R381 | R381-S383 PolarHBondContact O-N 2.86Š| ||
| 384 | S | 41.1 | Very low | 36.4 | Very low | 104 Ų | 104 | 158.1 Ų | 158.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -77.6 | 139.2 | 163 | 51.5 | 0 | 0 | 0 | 0 | 110.2 | T382 | T382-S384 VanDerWaalsContact C-N 3.32Å; T382-S384 PolarHBondContact O-N 3.22Å | ||
| 385 | A | 37.4 | Very low | 36.6 | Very low | 79 Ų | 79 | 153.9 Ų | 153.9 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | trans | 64.9 | 80.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H387 | A385-H387 PolarHBondContact O-N 2.82Å; A385-H387 VanDerWaalsContact O-N 3.11Å; A385-H387 PolarHBondContact O-ND1 3.38Å | ||
| 386 | C | 35.5 | Very low | 37.4 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -66.7 | 104.7 | 162.3 | -63.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 387 | H | 33.4 | Very low | 37.7 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -73.2 | 156 | 163.6 | -73.5 | 57.3 | 0 | 0 | 0 | 109.6 | A385 L389 | A385-H387 PolarHBondContact O-N 2.82Å; A385-H387 VanDerWaalsContact O-N 3.11Å; A385-H387 PolarHBondContact O-ND1 3.38Å; H387-L389 PolarHBondContact O-N 3.26Å; H387-L389 VanDerWaalsContact O-N 3.12Å | ||
| 388 | I | 43.3 | Very low | 38.5 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | -64 | 113 | 176.8 | -60.8 | 173.1 | 0 | 0 | 0 | 109 | I390 | I388-I390 HydrophobicContact CG2-CD1 4.26Å; I388-I390 HydrophobicContact CG2-CG1 3.98Å | ||
| 389 | L | 37.4 | Very low | 39 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -105 | 89 | 171.5 | -77.5 | 172.1 | 0 | 0 | 0 | 109.5 | H387 N391 | H387-L389 PolarHBondContact O-N 3.26Å; H387-L389 VanDerWaalsContact O-N 3.12Å; L389-N391 PolarHBondContact O-N 3.12Å | ||
| 390 | I | 45.8 | Very low | 39.1 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | trans | -80.6 | 107.9 | 159.8 | -63.7 | 166.6 | 0 | 0 | 0 | 106.5 | I388 | I388-I390 HydrophobicContact CG2-CD1 4.26Å; I388-I390 HydrophobicContact CG2-CG1 3.98Å | ||
| 391 | N | 35.3 | Very low | 40 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -159.2 | 129.3 | 158.3 | -119.6 | -19.6 | 0 | 0 | 0 | 112.6 | L389 | L389-N391 PolarHBondContact O-N 3.12Š| ||
| 392 | N | 37 | Very low | 40.2 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | 60 | 130.1 | 177.7 | -62.5 | -7 | 0 | 0 | 0 | 117.8 | ||||
| 393 | P | 44.6 | Very low | 40.3 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 147.8 | 175.4 | 33.7 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 394 | I | 42.4 | Very low | 40.6 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 139.5 | 162.5 | -63.5 | 172 | 0 | 0 | 0 | 107.8 | E398 | I394-E398 HydrophobicContact CG2-CB 4.19Å; I394-E398 HydrophobicContact CG2-CG 4.43Å; I394-E398 WeakPolarHBondContact CG2-OE2 3.46Å |
| 395 | N | 41 | Very low | 40.2 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 144.7 | -175.2 | -161.5 | 2.7 | 0 | 0 | 0 | 111.4 | C397 E398 | N395-C397 PolarHBondContact O-N 2.67Å; N395-E398 PolarHBondContact O-N 2.77Å |
| 396 | A | 45.4 | Very low | 40 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -62.3 | -17.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E398 | A396-E398 VanDerWaalsContact C-N 3.26Å; A396-E398 PolarHBondContact O-N 2.67Å |
| 397 | C | 40.3 | Very low | 39.6 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -67 | -20.8 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 114.2 | N395 L399 | N395-C397 PolarHBondContact O-N 2.67Å; C397-L399 VanDerWaalsContact C-N 3.3Å; C397-L399 PolarHBondContact O-N 3.29Å |
| 398 | E | 51.8 | Low | 39.4 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -80.8 | -3.7 | -175 | -67.7 | -179.8 | -155.4 | 0 | 0 | 114.4 | I394 N395 A396 | I394-E398 HydrophobicContact CG2-CB 4.19Å; I394-E398 HydrophobicContact CG2-CG 4.43Å; I394-E398 WeakPolarHBondContact CG2-OE2 3.46Å; N395-E398 PolarHBondContact O-N 2.77Å; A396-E398 VanDerWaalsContact C-N 3.26Å; A396-E398 PolarHBondContact O-N 2.67Å |
| 399 | L | 44.3 | Very low | 38.7 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -112.5 | 19.3 | -176.5 | -63.4 | 179.2 | 0 | 0 | 0 | 114.3 | C397 | C397-L399 VanDerWaalsContact C-N 3.3Å; C397-L399 PolarHBondContact O-N 3.29Å |
| 400 | S | 36.5 | Very low | 38.6 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 55% | 0.545 | 77% | 0.766 | S | S | . | * | trans | -95 | 120.8 | 177.8 | -163.6 | 0 | 0 | 0 | 0 | 112.4 | K402 | S400-K402 PolarHBondContact O-N 3.18Š| ||
| 401 | P | 48.8 | Very low | 37.8 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | trans | -80.6 | 85.2 | 175.3 | 32.9 | -33.6 | 0 | 0 | 0 | 110.4 | ||||
| 402 | K | 37.8 | Very low | 37.6 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 81% | 0.809 | 77% | 0.77 | S | S | * | * | trans | -105.6 | 141.5 | 168.6 | -73.2 | -151 | 169.3 | -166.9 | 0 | 112.1 | S400 | S400-K402 PolarHBondContact O-N 3.18Š| ||
| 403 | G | 37.3 | Very low | 37.2 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -67.5 | 162.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | E405 | G403-E405 PolarHBondContact O-N 3.06Š| ||
| 404 | K | 37.2 | Very low | 36.5 | Very low | 216 Ų | 216 | 141.4 Ų | 141.4 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -78.4 | 86 | 175 | -66.1 | -177.9 | -179.5 | -179.8 | 0 | 110.4 | ||||
| 405 | E | 32.3 | Very low | 36 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -98.8 | 108.6 | 164.4 | -168.3 | 157.1 | -132.2 | 0 | 0 | 108 | G403 | G403-E405 PolarHBondContact O-N 3.06Š| ||
| 406 | Q | 31.9 | Very low | 35.5 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -105.1 | 78.5 | -168.5 | -171.6 | 173.1 | -0.6 | 0 | 0 | 110.5 | M408 | Q406-M408 PolarHBondContact O-N 3.1Š| ||
| 407 | A | 28.3 | Very low | 34.9 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 119.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 408 | M | 29.9 | Very low | 34.5 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -94.7 | 147.6 | 152.8 | -94.4 | -71.7 | -175.2 | 0 | 0 | 107.6 | Q406 | Q406-M408 PolarHBondContact O-N 3.1Š| ||
| 409 | D | 28.4 | Very low | 33.6 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -120.8 | 140.5 | -160.3 | -158.3 | 7.1 | 0 | 0 | 0 | 112.7 | ||||
| 410 | L | 34.5 | Very low | 32.9 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | 66.7 | 145.4 | 175.5 | -45 | 179.7 | 0 | 0 | 0 | 115.3 | ||||
| 411 | I | 28.8 | Very low | 32.6 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | cis | -139.6 | 157.7 | 40.8 | -75.3 | 171.5 | 0 | 0 | 0 | 113.4 | ||||
| 412 | V | 30.5 | Very low | 32.2 | Very low | 113 Ų | 113 | 149 Ų | 149 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -60.9 | 145.6 | -178.4 | 176.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 413 | Q | 30 | Very low | 31.5 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -149.5 | 146.4 | 138.1 | -125 | 174.2 | 8.8 | 0 | 0 | 111.4 | ||||
| 414 | D | 28.3 | Very low | 31.1 | Very low | 139 Ų | 139 | 151.5 Ų | 151.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -83.5 | 155.1 | -171 | -54.9 | -79.1 | 0 | 0 | 0 | 114.7 | ||||
| 415 | T | 32.9 | Very low | 31 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | -172.9 | 157.3 | 123.6 | 15.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 416 | D | 29.7 | Very low | 30.9 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -73.6 | 151.5 | -175.4 | -58.6 | -91.1 | 0 | 0 | 0 | 115.1 | ||||
| 417 | E | 33.4 | Very low | 30.8 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | 176 | 120.5 | 102 | -80.1 | -111.6 | 124.7 | 0 | 0 | 113.5 | |||||
| 418 | K | 32.8 | Very low | 31.1 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 54.9 | 121.7 | 135.4 | -58.7 | 176.7 | -173.6 | 141.3 | 0 | 123.2 | ||||
| 419 | T | 31.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 84.9 | 124.5 | 136.3 | 34 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 420 | N | 29 | Very low | 31.5 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 95.1 | 133.1 | 141.9 | -60.7 | -21.4 | 0 | 0 | 0 | 122.3 | ||||
| 421 | V | 30.4 | Very low | 31.2 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -114.8 | 161.8 | 176.2 | 167.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 422 | P | 40.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -115.7 | 175.2 | 19.9 | 8.7 | 19.3 | 0 | 0 | 0 | 114.5 | ||||
| 423 | E | 24.5 | Very low | 31.2 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | 97.6 | 147.6 | 35.6 | -146 | -157.9 | 159.1 | 0 | 0 | 114.8 | ||||
| 424 | I | 27.7 | Very low | 31.1 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | 89.5 | 102 | 166.8 | -49 | -178.2 | 0 | 0 | 0 | 119.9 | ||||
| 425 | L | 35.1 | Very low | 31 | Very low | 134 Ų | 134 | 137 Ų | 137 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | 8.6 | 143 | 136.3 | -167.9 | 73.8 | 0 | 0 | 0 | 122 | ||||
| 426 | P | 30.6 | Very low | 30.7 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -131.2 | 162.9 | 139.4 | 38 | -27.5 | 0 | 0 | 0 | 115.8 | ||||
| 427 | K | 29 | Very low | 30.5 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -149.3 | 132.5 | 172.8 | -86.8 | -172.8 | 176.2 | 179.3 | 0 | 112.3 | ||||
| 428 | L | 34.5 | Very low | 30.1 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 65.1 | 155.9 | 163.9 | -57.8 | 174.8 | 0 | 0 | 0 | 115.1 | ||||
| 429 | P | 36.3 | Very low | 29.9 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | cis | -112.6 | 176.7 | 42.9 | 12.5 | 13.5 | 0 | 0 | 0 | 114 | ||||
| 430 | I | 31.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | cis | 77.6 | 115.9 | 36.1 | -55.2 | 168.8 | 0 | 0 | 0 | 111.5 | ||||
| 431 | D | 28.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | cis | -165.3 | -175.7 | 37.6 | -147.6 | -8.8 | 0 | 0 | 0 | 115.9 | ||||
| 432 | L | 32.1 | Very low | 28.9 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -21.8 | 139.4 | 168.3 | -77 | 155 | 0 | 0 | 0 | 122.9 | ||||
| 433 | A | 25.8 | Very low | 28.1 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | 158.5 | 163.7 | 110.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 434 | G | 28 | Very low | 28.3 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 124.1 | 111.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 435 | V | 27.8 | Very low | 28.3 | Very low | 147 Ų | 147 | 136 Ų | 136 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -65 | 158.9 | -174.3 | 173.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 436 | C | 24.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -55 | 153.8 | 173.4 | -52.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 437 | S | 27.4 | Very low | 27.7 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | 174.5 | 149.6 | 99.8 | -160.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 438 | S | 23.8 | Very low | 27.6 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | 65.6 | 122.6 | 137.8 | 170 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 439 | K | 28.2 | Very low | 27.3 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | 89.7 | 130.4 | 137.7 | -84.4 | -180 | -179.4 | 178.9 | 0 | 122.7 | ||||
| 440 | V | 24.7 | Very low | 26.7 | Very low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 78.2 | 106 | 135.1 | 175.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 441 | Y | 22.8 | Very low | 26.6 | Very low | 226 Ų | 226 | 135 Ų | 135 | 89% | 0.886 | 77% | 0.772 | S | S | * | * | trans | -66.2 | 130.6 | 146.5 | -112.9 | -108.3 | 0 | 0 | 0 | 110.2 | ||||
| 442 | V | 23.5 | Very low | 26.5 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | 179 | 118.8 | 117.9 | 150.3 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 443 | G | 23.8 | Very low | 26.4 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -83.2 | 160.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 444 | K | 28.9 | Very low | 26.4 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | -124.6 | 150.8 | 159.6 | -73.2 | -174 | 176.5 | -178.3 | 0 | 108.6 | ||||
| 445 | N | 26.6 | Very low | 26.3 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -94.6 | -174.2 | -171.3 | -56.1 | -22.9 | 0 | 0 | 0 | 111.4 | ||||
| 446 | T | 27.9 | Very low | 26.2 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | 67.7 | 121.2 | 161.6 | 57.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 447 | S | 26.1 | Very low | 26.4 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | 48 | 130.7 | 66.7 | -90.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 448 | E | 27.4 | Very low | 26.5 | Very low | 165 Ų | 165 | 138 Ų | 138 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | cis | -157.5 | 162 | 1.3 | -132.7 | 153.3 | 129 | 0 | 0 | 109.9 | ||||
| 449 | V | 26.3 | Very low | 26.5 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | trans | 7.6 | 121.6 | 148.5 | 177.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 450 | K | 25.7 | Very low | 26.6 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | -168.2 | 167.8 | 96 | -139.6 | 137.6 | -161.1 | -64.3 | 0 | 115.2 | |||||
| 451 | E | 29 | Very low | 26.5 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | trans | -64.3 | 161.9 | -167 | -60 | 133.9 | 138.4 | 0 | 0 | 117.5 | ||||
| 452 | D | 26.7 | Very low | 26.6 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | 58.2 | 155.9 | 138.3 | -76.8 | 16.7 | 0 | 0 | 0 | 123.2 | ||||
| 453 | V | 29.8 | Very low | 26.7 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | cis | -167.3 | 154.7 | -35.5 | 90.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 454 | V | 25.1 | Very low | 26.8 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | trans | 62.9 | 115.1 | 160.1 | 168.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 455 | L | 26.8 | Very low | 26.5 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | 48 | 115.2 | 128.7 | -154 | 73.6 | 0 | 0 | 0 | 118.6 | |||||
| 456 | G | 25.2 | Very low | 26.4 | Very low | 61 Ų | 61 | 128.9 Ų | 128.9 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | cis | 101.8 | 137 | 20.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 457 | K | 28.2 | Very low | 26.3 | Very low | 216 Ų | 216 | 130.3 Ų | 130.3 | 94% | 0.939 | 74% | 0.741 | S | S | * | * | trans | -166.8 | 151.5 | 163.7 | -108.3 | 150.2 | -171.1 | 173.9 | 0 | 111.7 | ||||
| 458 | S | 28.9 | Very low | 26.4 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -99.8 | 166.8 | -173.6 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 459 | N | 25.6 | Very low | 26.4 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | 178.5 | 162.8 | 122.3 | -81.1 | -12.5 | 0 | 0 | 0 | 107.4 | |||||
| 460 | Q | 28.7 | Very low | 26.3 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | -159 | 168.3 | 14.9 | -149.8 | 175.2 | -5 | 0 | 0 | 109.8 | ||||
| 461 | V | 24.2 | Very low | 26.3 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | 66.4 | 123 | 164.3 | -177.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 462 | C | 24.1 | Very low | 26.4 | Very low | 100 Ų | 100 | 132 Ų | 132 | 68% | 0.676 | 74% | 0.738 | S | S | * | * | cis | -166.6 | -174.3 | -5.8 | -125.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 463 | Q | 25.8 | Very low | 26.3 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | cis | -153.5 | -151.6 | 5.9 | -148.8 | 145.9 | -91.3 | 0 | 0 | 111.2 | ||||
| 464 | S | 25.3 | Very low | 26.2 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | trans | -48.2 | 139.4 | 169 | 46.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 465 | S | 23.2 | Very low | 26.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | cis | 97.5 | 120.5 | 28.2 | 76.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 466 | G | 24 | Very low | 26.1 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | 159.2 | 107.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 467 | N | 26.6 | Very low | 26.1 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | 72.1 | 126.2 | 154.4 | -58.9 | -10 | 0 | 0 | 0 | 118.5 | ||||
| 468 | H | 27.5 | Very low | 25.9 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 79% | 0.787 | 73% | 0.734 | S | S | * | * | 83.4 | 134.5 | 74.8 | -146.7 | -119.9 | 0 | 0 | 0 | 110.6 | |||||
| 469 | L | 27 | Very low | 25.6 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 58% | 0.576 | 74% | 0.738 | S | S | * | * | cis | -154.7 | 140.7 | 10.3 | -168.5 | 64.6 | 0 | 0 | 0 | 105.5 | ||||
| 470 | E | 24.8 | Very low | 25.8 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | 61.7 | 154.9 | 62.7 | -136.2 | -169 | -126.7 | 0 | 0 | 116.3 | |||||
| 471 | N | 26.4 | Very low | 25.5 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 58% | 0.578 | 74% | 0.741 | S | S | * | * | trans | 71.2 | 134.4 | 177.3 | -65.5 | -83.3 | 0 | 0 | 0 | 116.2 | ||||
| 472 | K | 30.4 | Very low | 25.6 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | cis | -150.3 | 144.2 | -0.6 | -102.3 | 174.2 | -178.8 | -179 | 0 | 108.4 | ||||
| 473 | V | 25.2 | Very low | 25.7 | Very low | 121 Ų | 121 | 130 Ų | 130 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | 63.3 | 122.6 | 73.5 | 160.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 474 | T | 26.9 | Very low | 25.8 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | cis | -168.7 | 167.5 | 12.4 | 11.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 475 | H | 25.6 | Very low | 25.9 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | 66.4 | 164 | 151.7 | -63.6 | -39.3 | 0 | 0 | 0 | 117.4 | ||||
| 476 | G | 24 | Very low | 26 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | cis | -177.6 | -157.5 | 0.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 477 | L | 25.3 | Very low | 26.2 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 95% | 0.948 | 74% | 0.743 | S | S | * | * | trans | -72.4 | 170.8 | 177.2 | -120.5 | 71.9 | 0 | 0 | 0 | 112.9 | ||||
| 478 | A | 24.3 | Very low | 26.2 | Very low | 84 Ų | 84 | 134.8 Ų | 134.8 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | trans | -65.6 | 177.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 479 | T | 23.1 | Very low | 27 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | trans | 97.7 | 109.3 | 155.6 | -38.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 480 | V | 28.7 | Very low | 27.5 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 65.5 | 142.4 | 150.2 | 174.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 481 | E | 24 | Very low | 27.8 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | cis | -147.5 | 160.4 | 19.2 | -141.4 | 144.3 | -129.6 | 0 | 0 | 107 | ||||
| 482 | G | 25 | Very low | 27.8 | Very low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | cis | 165 | 175.6 | -0.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 483 | Q | 26.7 | Very low | 27.6 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 76.6 | 144.9 | 161.2 | -139.9 | 62.5 | 2.3 | 0 | 0 | 121.5 | ||||
| 484 | L | 27.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | 68.2 | 118.4 | 173.4 | -48.6 | -179.7 | 0 | 0 | 0 | 115.3 | ||||
| 485 | T | 27.1 | Very low | 27.6 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | cis | -132.4 | 127.2 | 8.2 | 49.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 486 | S | 25.9 | Very low | 27.6 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | 39.1 | 130.8 | 95.2 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 487 | E | 28.7 | Very low | 27.6 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | cis | -108 | 153.7 | 11.7 | -64.2 | 160.7 | 83.7 | 0 | 0 | 112 | R489 | E487-R489 IonicContact OE1-NH2 3.63Š| ||
| 488 | E | 26.8 | Very low | 27.9 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | cis | 77.2 | 45.5 | 32.4 | -150.5 | 178.7 | 165.7 | 0 | 0 | 115.6 | ||||
| 489 | R | 43.9 | Very low | 27.8 | Very low | 223 Ų | 223 | 137.8 Ų | 137.8 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -158.5 | 141.2 | 165.2 | -151.1 | 167 | -69.2 | -118.1 | 1.5 | 112.7 | E487 | E487-R489 IonicContact OE1-NH2 3.63Š| ||
| 490 | G | 38.3 | Very low | 27.8 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 111.2 | 59.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 491 | A | 29.3 | Very low | 27.4 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -48.9 | 160.2 | 165 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 492 | H | 26.6 | Very low | 28.6 | Very low | 181 Ų | 181 | 136 Ų | 136 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | cis | -172.6 | 157.3 | -5.7 | -114.7 | -40.7 | 0 | 0 | 0 | 112.8 | ||||
| 493 | K | 27.3 | Very low | 28.7 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 72.2 | 111.9 | 132.2 | -170.4 | 176.7 | -178.3 | -178.6 | 0 | 123.5 | ||||
| 494 | M | 26.5 | Very low | 28.7 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | 56.1 | 123.8 | 122.5 | -152.5 | 88.8 | 86.2 | 0 | 0 | 123.4 | |||||
| 495 | N | 24.7 | Very low | 28.6 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | trans | 30.1 | 131.3 | 143.7 | -50.5 | -8.1 | 0 | 0 | 0 | 123.7 | ||||
| 496 | S | 26.7 | Very low | 28.4 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | 82.8 | 151.6 | 132.2 | 76.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 497 | T | 22.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | 86.5 | 140.6 | 163.3 | -43.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 498 | C | 32.8 | Very low | 29.4 | Very low | 114 Ų | 114 | 145 Ų | 145 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -85 | 172 | -175.7 | -53.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 499 | T | 22.8 | Very low | 29.7 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 139.1 | 113.9 | 132.2 | -57.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 500 | V | 21.8 | Very low | 28.9 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 56.8 | 110.4 | 148.5 | -179.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 501 | M | 20.6 | Very low | 28.6 | Very low | 176 Ų | 176 | 135 Ų | 135 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | 37.5 | 168.5 | 113 | -107.9 | -158.8 | 160 | 0 | 0 | 122.5 | |||||
| 502 | P | 50.1 | Low | 28.6 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 59% | 0.591 | 75% | 0.747 | S | S | * | * | cis | -141.3 | -167.6 | -4.4 | 42.3 | -22.5 | 0 | 0 | 0 | 117.1 | ||||
| 503 | K | 26.3 | Very low | 28.4 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 74.2 | 144 | 162.3 | -69.8 | 176.7 | 176.8 | -179.7 | 0 | 116.2 | ||||
| 504 | L | 26.2 | Very low | 28.4 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | cis | -132.4 | 166.6 | 6.4 | -82.2 | 97.8 | 0 | 0 | 0 | 110.5 | ||||
| 505 | H | 25.8 | Very low | 28.2 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | cis | -162.6 | -112.8 | -29.8 | -164.2 | -26.6 | 0 | 0 | 0 | 109.8 | ||||
| 506 | E | 22.4 | Very low | 28.2 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -172 | -162 | -167.8 | -124.1 | -161.1 | 130.8 | 0 | 0 | 107.3 | ||||
| 507 | P | 47 | Very low | 28.8 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | cis | -115.2 | -160.8 | -2.7 | 47 | -34.4 | 0 | 0 | 0 | 110.9 | ||||
| 508 | Y | 29.6 | Very low | 29.5 | Very low | 213 Ų | 213 | 131 Ų | 131 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | cis | -152.6 | 160.4 | 2.4 | -110.5 | -36.6 | 0 | 0 | 0 | 105.2 | ||||
| 509 | A | 31.8 | Very low | 29.3 | Very low | 75 Ų | 75 | 136 Ų | 136 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | cis | -159.1 | -176.5 | -11.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 510 | S | 28.1 | Very low | 29.4 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | cis | -161.1 | -164.2 | -2.4 | -139 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 511 | S | 30.9 | Very low | 29.5 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -169.4 | 178.7 | -7.2 | 37 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 512 | Q | 29.4 | Very low | 29.9 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | cis | -171.8 | 155.4 | -35.7 | -91.3 | 161.9 | -38.9 | 0 | 0 | 103.8 | ||||
| 513 | C | 23.4 | Very low | 28.6 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | cis | -172.3 | 160.1 | -16.4 | -106.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 514 | I | 26.5 | Very low | 28.5 | Very low | 153 Ų | 153 | 127 Ų | 127 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | cis | -167.4 | 171.9 | -6.6 | -176.1 | 158.3 | 0 | 0 | 0 | 108 | ||||
| 515 | A | 22.2 | Very low | 28.8 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 92 | 152.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 516 | S | 24.7 | Very low | 29 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -108.9 | -156.9 | 166 | 63.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 517 | P | 39.8 | Very low | 30.2 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | cis | -136.4 | -161.4 | 6.5 | 43.9 | -23.6 | 0 | 0 | 0 | 114.8 | ||||
| 518 | N | 38.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -85.1 | 146.5 | 174.6 | -59.1 | -45 | 0 | 0 | 0 | 113.3 | ||||
| 519 | F | 28.1 | Very low | 29.1 | Very low | 221 Ų | 221 | 125.1 Ų | 125.1 | 97% | 0.969 | 77% | 0.769 | S | S | * | * | trans | -159.2 | 176.4 | 141.8 | -99.5 | -70.4 | 0 | 0 | 0 | 107.8 | ||||
| 520 | G | 24.5 | Very low | 28.9 | Very low | 60 Ų | 60 | 130.2 Ų | 130.2 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | trans | -158.7 | -165.7 | -174 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 521 | T | 24.1 | Very low | 28.8 | Very low | 143 Ų | 143 | 133 Ų | 133 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | 89.7 | 149.7 | -179.8 | -26.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 522 | V | 28.2 | Very low | 28.8 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | 82.9 | 105.7 | 164.6 | -169.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 523 | S | 24.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 36.1 | 126.7 | 134 | -158.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 524 | G | 24.1 | Very low | 29.1 | Very low | 62 Ų | 62 | 135.2 Ų | 135.2 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | 121.4 | 129.4 | 110 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 525 | L | 31.4 | Very low | 28.9 | Very low | 170 Ų | 170 | 134 Ų | 134 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 67.5 | 103.2 | 146.5 | -54.1 | 176.9 | 0 | 0 | 0 | 121.3 | ||||
| 526 | K | 29.8 | Very low | 29 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | 1.6 | 163.5 | 127.7 | -73.7 | -176.9 | 177.8 | -179.3 | 0 | 119.8 | |||||
| 527 | P | 47.9 | Very low | 29.2 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -143.7 | 177 | -28.4 | 40.2 | -23.1 | 0 | 0 | 0 | 114.9 | ||||
| 528 | A | 25.6 | Very low | 28.6 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | 162.4 | 149.5 | 127.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 529 | N | 28 | Very low | 28.2 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | 58.2 | 95.1 | 152.3 | -63.9 | -2.2 | 0 | 0 | 0 | 123.7 | ||||
| 530 | M | 28.5 | Very low | 28.3 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 43.1 | 119.6 | 131.2 | -50.4 | -162.6 | 83.4 | 0 | 0 | 122.7 | ||||
| 531 | L | 26.2 | Very low | 28.6 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | -160.4 | 133.3 | 111.4 | -161.5 | 61.4 | 0 | 0 | 0 | 113.3 | |||||
| 532 | E | 29.6 | Very low | 28.9 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | trans | 39.9 | 126.8 | 157.2 | -67.2 | -163.4 | 156 | 0 | 0 | 126.4 | ||||
| 533 | K | 32 | Very low | 29.5 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 65% | 0.648 | 78% | 0.782 | S | S | * | * | trans | 61.4 | 137.8 | 131.7 | -60.2 | 167.5 | -169.9 | 155.3 | 0 | 120.2 | ||||
| 534 | N | 26.4 | Very low | 30 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | -154.6 | 118.6 | -10.8 | -93.3 | -26.6 | 0 | 0 | 0 | 106.6 | ||||
| 535 | C | 24.1 | Very low | 30.5 | Very low | 129 Ų | 129 | 150.2 Ų | 150.2 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | 73.4 | 120.7 | 87.7 | -69.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 536 | S | 23 | Very low | 30.7 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -124.6 | 144.7 | -179.2 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 537 | L | 28.9 | Very low | 31.1 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 53.1 | 157.8 | 147.4 | -65.4 | 176.6 | 0 | 0 | 0 | 123.1 | ||||
| 538 | Q | 27.6 | Very low | 30.5 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 83.4 | 172.6 | 154.9 | -85 | 175.6 | -16.1 | 0 | 0 | 120.1 | ||||
| 539 | T | 29.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 151 Ų | 151 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -134.9 | 138.9 | -139.6 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 540 | E | 29.1 | Very low | 32 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -171.9 | -167.4 | 134.1 | -108.4 | 178.2 | -174.3 | 0 | 0 | 113.7 | ||||
| 541 | L | 30.8 | Very low | 32 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -127 | 162.6 | -147.3 | -68.1 | 164.3 | 0 | 0 | 0 | 115.8 | ||||
| 542 | N | 31.7 | Very low | 32.9 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | trans | 83.7 | 110.4 | 151.7 | -71.6 | -60.6 | 0 | 0 | 0 | 122.2 | ||||
| 543 | K | 39.7 | Very low | 33.1 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | 70.8 | 114.5 | 125.1 | -62.3 | 172.2 | -178.9 | 174.3 | 0 | 122 | |||||
| 544 | S | 36 | Very low | 33.2 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | -161.9 | 137.7 | 126.5 | 52 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 545 | Y | 34.3 | Very low | 33.5 | Very low | 217 Ų | 217 | 148.2 Ų | 148.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 10.9 | 151.3 | 140.5 | -72 | -86.3 | 0 | 0 | 0 | 121.7 | ||||
| 546 | D | 36.3 | Very low | 34.1 | Very low | 137 Ų | 137 | 150 Ų | 150 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | cis | -155 | 179.8 | -0 | -154.7 | -0.7 | 0 | 0 | 0 | 112.9 | ||||
| 547 | V | 38.1 | Very low | 34.5 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 144.9 | -175.7 | 171.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 548 | K | 35.7 | Very low | 34.8 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -171.2 | 91.9 | 130.2 | -103.5 | 158.5 | -170.9 | 172.4 | 0 | 117.1 | ||||
| 549 | N | 38.6 | Very low | 34.9 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 62 | 157.5 | 149 | -79.5 | 5.5 | 0 | 0 | 0 | 121.1 | ||||
| 550 | P | 45 | Very low | 34.8 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -98.6 | 158.7 | -160.9 | 38.2 | -35.9 | 0 | 0 | 0 | 114.8 | ||||
| 551 | S | 29 | Very low | 34.8 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -79.4 | 153.9 | 172.1 | -64 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 552 | P | 46 | Very low | 34.8 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -92 | 175.4 | -169.4 | 37.6 | -30.5 | 0 | 0 | 0 | 111.8 | ||||
| 553 | L | 33.8 | Very low | 34.5 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | -153.2 | 134.9 | 53.4 | -78.8 | 160.2 | 0 | 0 | 0 | 114.6 | |||||
| 554 | L | 32.8 | Very low | 34 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | trans | -139.6 | 78.3 | 153.8 | -161.8 | 172.1 | 0 | 0 | 0 | 107.5 | ||||
| 555 | M | 34.3 | Very low | 33.6 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | trans | -144.6 | 143.4 | 169 | -93.4 | -166 | 69.2 | 0 | 0 | 110.7 | ||||
| 556 | Q | 35.7 | Very low | 33.3 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | -122.1 | 145.6 | -176.6 | 171.4 | -172.5 | 13.7 | 0 | 0 | 107.6 | ||||
| 557 | N | 31.6 | Very low | 33.5 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | trans | 171.9 | 132.7 | 136.6 | -93.1 | -52 | 0 | 0 | 0 | 115.4 | ||||
| 558 | Q | 35.1 | Very low | 32.9 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 65.5 | 109.3 | 132.3 | -64.1 | 176.1 | 48.8 | 0 | 0 | 123.8 | ||||
| 559 | N | 29.8 | Very low | 32.5 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | 78.6 | 128.2 | 112.9 | -66 | -13.6 | 0 | 0 | 0 | 124.9 | |||||
| 560 | M | 28.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | 106 | 120.6 | 127.3 | -86.4 | 172.4 | 63.8 | 0 | 0 | 123.9 | |||||
| 561 | R | 28.9 | Very low | 30.9 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | 87.4 | 128.6 | 136.5 | -84.4 | -176.2 | 173.9 | -95.8 | -4.3 | 123.7 | ||||
| 562 | Q | 29.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 138 Ų | 138 | 59% | 0.589 | 75% | 0.745 | S | S | * | * | trans | 77.3 | 119.3 | 141.3 | -71.9 | -179.7 | -87.3 | 0 | 0 | 118.3 | ||||
| 563 | Q | 26.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | 74.6 | 139.9 | 87.1 | -78.7 | -176.8 | -62.6 | 0 | 0 | 112.9 | |||||
| 564 | M | 28.9 | Very low | 29.7 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | cis | -153.8 | 178.3 | 23.4 | -129 | -20.7 | -152.6 | 0 | 0 | 112.9 | ||||
| 565 | D | 27.2 | Very low | 29.5 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 74.8 | 138.5 | 155.1 | -55.5 | -29.2 | 0 | 0 | 0 | 123.1 | ||||
| 566 | T | 29.1 | Very low | 29.1 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -131.4 | 145.8 | -171.7 | -31.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 567 | P | 39.7 | Very low | 29 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | -143.7 | 166.7 | 122.7 | 24 | -3.2 | 0 | 0 | 0 | 113.8 | |||||
| 568 | M | 26.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | cis | -171.7 | 146.5 | -24.3 | -111.4 | 175.4 | 65.6 | 0 | 0 | 109.4 | ||||
| 569 | V | 26.3 | Very low | 28.2 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | trans | 61.8 | 129 | 154.8 | 178.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 570 | S | 24.8 | Very low | 28 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | cis | -146.1 | 141.7 | 7.9 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 571 | C | 25.3 | Very low | 28 | Very low | 130 Ų | 130 | 136 Ų | 136 | 88% | 0.878 | 73% | 0.725 | S | S | * | * | trans | 33.9 | 122 | 149 | -49.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 572 | G | 25.5 | Very low | 28.1 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | cis | 109.1 | 137.5 | 14 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 573 | N | 27.6 | Very low | 28.4 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | cis | -140 | 146.9 | 5.7 | -67.9 | -16 | 0 | 0 | 0 | 107.7 | ||||
| 574 | E | 29.6 | Very low | 28.7 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | 66.4 | 142 | 57.3 | -66 | -155.7 | 156.9 | 0 | 0 | 115.9 | |||||
| 575 | Q | 29 | Very low | 29 | Very low | 142 Ų | 142 | 138 Ų | 138 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | cis | -160.9 | 132.5 | -25.5 | -115 | 167.5 | 39.5 | 0 | 0 | 107.2 | ||||
| 576 | F | 26.5 | Very low | 29.1 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | 59.4 | 131.8 | 102.6 | -80.4 | -96.1 | 0 | 0 | 0 | 119.3 | |||||
| 577 | L | 33.3 | Very low | 29.4 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 68.3 | 155.4 | 138.6 | -77.2 | 169.9 | 0 | 0 | 0 | 120.3 | ||||
| 578 | D | 25.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 147 Ų | 147 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | cis | -157.5 | 172.9 | -5.5 | -157.1 | 1.5 | 0 | 0 | 0 | 112.5 | ||||
| 579 | N | 23.7 | Very low | 29.2 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 66.6 | 160.3 | 158.3 | -67.5 | -61.3 | 0 | 0 | 0 | 116.9 | ||||
| 580 | S | 26.4 | Very low | 29.8 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 57% | 0.573 | 73% | 0.727 | S | S | * | * | cis | -162.3 | 153.3 | 12.9 | 87.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 581 | F | 29.3 | Very low | 30.1 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | 54.5 | 171.9 | 147.1 | -61.7 | -51.6 | 0 | 0 | 0 | 119.9 | ||||
| 582 | E | 30.4 | Very low | 30.8 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | cis | -149.8 | 171.9 | -32.7 | 168.3 | 159.7 | -144.6 | 0 | 0 | 109 | ||||
| 583 | K | 36.1 | Very low | 31.4 | Very low | 182 Ų | 182 | 148 Ų | 148 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -63 | 129.9 | -178.3 | -39.7 | 118.8 | -173.4 | 156 | 0 | 113.1 | ||||
| 584 | V | 32.4 | Very low | 31.7 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -127.2 | 135.7 | 161 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 585 | K | 34.4 | Very low | 31.8 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | trans | -100 | 131.5 | 171.1 | -96.9 | 176.4 | 179.9 | 161.9 | 0 | 109.7 | ||||
| 586 | R | 30.2 | Very low | 31.8 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | 49.3 | 114.8 | 145.9 | -48.8 | 166.7 | -173.8 | 162.8 | -5.8 | 117 | ||||
| 587 | R | 35.1 | Very low | 32.2 | Very low | 230 Ų | 230 | 141.4 Ų | 141.4 | 87% | 0.868 | 71% | 0.709 | S | S | * | * | -140.2 | 161.9 | 101.5 | -68.8 | -153.6 | 178.1 | -161.3 | 0.7 | 108.8 | |||||
| 588 | L | 29.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | trans | -154.2 | 99.1 | 176.8 | -166.5 | 166.4 | 0 | 0 | 0 | 105.4 | L590 | L588-L590 HydrophobicContact CD2-CD2 3.84Å; L588-L590 HydrophobicContact CD2-CG 4.04Å | ||
| 589 | D | 32.8 | Very low | 32 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | -94.2 | 157.2 | 171.1 | -58.9 | -62.8 | 0 | 0 | 0 | 108.1 | ||||
| 590 | L | 38.2 | Very low | 32.4 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 36% | 0.361 | 72% | 0.719 | S | S | . | * | trans | -123.8 | 132.3 | -170.6 | -72.8 | 167.2 | 0 | 0 | 0 | 110.6 | V288 L588 | V288-L590 HydrophobicContact CB-CD1 4Å; V288-L590 HydrophobicContact CG1-CD1 3.74Å; L588-L590 HydrophobicContact CD2-CD2 3.84Å; L588-L590 HydrophobicContact CD2-CG 4.04Å | ||
| 591 | D | 32.7 | Very low | 32.7 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | trans | -128.2 | 153.8 | 166.7 | -82.1 | -48.9 | 0 | 0 | 0 | 110 | ||||
| 592 | I | 39.3 | Very low | 32.5 | Very low | 77 Ų | 77 | 146.3 Ų | 146.3 | 40% | 0.395 | 73% | 0.734 | S | S | . | * | trans | -145.4 | 135.2 | -171.9 | -82.1 | -108.6 | 0 | 0 | 0 | 106.2 | ||||
| 593 | D | 37.5 | Very low | 32.3 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | -175 | 161.3 | 109.3 | -134.6 | -33.8 | 0 | 0 | 0 | 114.2 | |||||
| 594 | G | 33.3 | Very low | 31.8 | Very low | 63 Ų | 63 | 142.7 Ų | 142.7 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | 101.3 | 143.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 595 | V | 31.7 | Very low | 31.5 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 74% | 0.739 | 73% | 0.725 | S | S | * | * | cis | -163.5 | 140.4 | -27.5 | 105.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 596 | Q | 30.8 | Very low | 31 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | trans | 62.5 | 151.1 | 158.1 | -70.3 | -176.3 | 26 | 0 | 0 | 124.6 | ||||
| 597 | K | 33 | Very low | 30.8 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | trans | 83.8 | 88.7 | 144.5 | -83.9 | 163 | 178 | 146 | 0 | 122.8 | ||||
| 598 | E | 28.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | 58.3 | 107 | 107.1 | -68.2 | 164.3 | -167.4 | 0 | 0 | 121.2 | |||||
| 599 | N | 28.2 | Very low | 30.7 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | 58.5 | 107.8 | 127.6 | -58.3 | -32.3 | 0 | 0 | 0 | 121.5 | |||||
| 600 | C | 31.2 | Very low | 30.6 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | 44.7 | 136.5 | 120.6 | -56.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 601 | P | 33.3 | Very low | 30.1 | Very low | 134 Ų | 134 | 133 Ų | 133 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | -137.2 | 178 | 89.3 | 39.6 | -29 | 0 | 0 | 0 | 115.8 | |||||
| 602 | Y | 24 | Very low | 29.9 | Very low | 220 Ų | 220 | 131.7 Ų | 131.7 | 86% | 0.863 | 73% | 0.725 | S | S | * | * | trans | -118 | 174 | 178.1 | 174.1 | -129.3 | 0 | 0 | 0 | 108.7 | ||||
| 603 | V | 26.3 | Very low | 29.5 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 57% | 0.57 | 74% | 0.739 | S | S | * | * | trans | 97.2 | 117.3 | 158.4 | -170.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 604 | I | 26.6 | Very low | 28.8 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | trans | 70.2 | 147.1 | 151.4 | -75.1 | 170.4 | 0 | 0 | 0 | 117.1 | ||||
| 605 | T | 24.8 | Very low | 28.5 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | cis | -130.8 | 170.6 | 26.4 | 61.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 606 | S | 24.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -65 | 173.9 | 150.6 | -38.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 607 | G | 25.1 | Very low | 28.9 | Very low | 65 Ų | 65 | 141.8 Ų | 141.8 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | cis | 150.8 | 160.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 608 | I | 32.5 | Very low | 28.7 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 72.7 | 130.1 | 161.9 | -48.9 | 165 | 0 | 0 | 0 | 118.9 | ||||
| 609 | T | 29.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 156.1 | 152 | 135 | 36.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 610 | E | 32 | Very low | 28.8 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | cis | -164.6 | 153.1 | -31.3 | -126.9 | 174.2 | -132.5 | 0 | 0 | 108 | ||||
| 611 | Q | 27.9 | Very low | 28.5 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | 173.1 | 160.3 | 106 | -109.5 | 173.6 | 4 | 0 | 0 | 108.1 | |||||
| 612 | E | 26.7 | Very low | 29.1 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | -148.3 | 126.4 | 19 | 178.9 | 153.2 | -139 | 0 | 0 | 114.6 | ||||
| 613 | R | 31.1 | Very low | 29.7 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | trans | 40.8 | 142.6 | 139.2 | -60.4 | 174.2 | 177.7 | 136.4 | -7.5 | 122.1 | ||||
| 614 | Q | 24.7 | Very low | 29.7 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | -161.6 | 141.7 | 72.3 | -89.2 | -171.8 | 15.6 | 0 | 0 | 117.2 | |||||
| 615 | H | 27 | Very low | 30.2 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | trans | 57 | 105.3 | 151 | -67.2 | -72.5 | 0 | 0 | 0 | 125.9 | ||||
| 616 | L | 27.2 | Very low | 30.3 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | 54.1 | 155.7 | 108.9 | -80 | 173.9 | 0 | 0 | 0 | 122.6 | |||||
| 617 | P | 42.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | cis | -124.6 | -113.5 | 28.9 | 38.6 | -19.1 | 0 | 0 | 0 | 119.6 | ||||
| 618 | E | 28.1 | Very low | 31.5 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 52% | 0.519 | 75% | 0.746 | S | S | . | * | trans | -140.3 | 139.8 | -138.1 | -173.6 | -109.1 | 158.3 | 0 | 0 | 116.2 | R620 | E618-R620 WeakPolarHBondContact OE1-CG 3.03Å; E618-R620 IonicContact OE1-CZ 3.69Å; E618-R620 IonicContact OE1-NE 2.8Å; E618-R620 PolarHBondContact OE1-NE 3.31Å; E618-R620 IonicContact OE1-NH2 3.69Å; E618-R620 IonicContact OE2-NH2 3.84Å | ||
| 619 | K | 29.7 | Very low | 31.4 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | -173.3 | 106.8 | 127.4 | -103.3 | 169.3 | -175 | 174.5 | 0 | 116.9 | |||||
| 620 | R | 30 | Very low | 32.3 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | 42.8 | 106.4 | 136.7 | -47.3 | -175.1 | -167.5 | -171.1 | 1.6 | 122.8 | E618 | E618-R620 WeakPolarHBondContact OE1-CG 3.03Å; E618-R620 IonicContact OE1-CZ 3.69Å; E618-R620 IonicContact OE1-NE 2.8Å; E618-R620 PolarHBondContact OE1-NE 3.31Å; E618-R620 IonicContact OE1-NH2 3.69Å; E618-R620 IonicContact OE2-NH2 3.84Å | ||
| 621 | Y | 24.7 | Very low | 33 | Very low | 207 Ų | 207 | 150.5 Ų | 150.5 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | 58.5 | 163.2 | 110.2 | -74.6 | -53.9 | 0 | 0 | 0 | 123.1 | |||||
| 622 | P | 45.2 | Very low | 33.9 | Very low | 97 Ų | 97 | 153.5 Ų | 153.5 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | cis | -142.2 | 161.1 | -17.8 | 33.1 | -13 | 0 | 0 | 0 | 118.1 | ||||
| 623 | K | 36.1 | Very low | 34.8 | Very low | 198 Ų | 198 | 154.5 Ų | 154.5 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | 60.8 | 159.6 | 149.7 | -91.3 | 86.5 | 176.6 | -171.7 | 0 | 118.8 | ||||
| 624 | G | 26.7 | Very low | 35.6 | Very low | 74 Ų | 74 | 154 Ų | 154 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | cis | -164.3 | -179.2 | 4.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 625 | S | 37.1 | Very low | 36.6 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -106.3 | 151.6 | -166.5 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 626 | V | 28 | Very low | 37.5 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -142.2 | 145 | 147.5 | 174.3 | 0 | 0 | 0 | 0 | 109.6 | I628 | V626-I628 HydrophobicContact CG1-CD1 4.04Å; V626-I628 HydrophobicContact CG1-CG1 3.89Å | ||
| 627 | F | 40.1 | Very low | 38.8 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -125.9 | 116.8 | 177 | -177.3 | -79.2 | 0 | 0 | 0 | 108.9 | ||||
| 628 | I | 33.9 | Very low | 39.5 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -134.2 | 109.7 | 175.7 | -64 | 179.5 | 0 | 0 | 0 | 111.3 | V626 | V626-I628 HydrophobicContact CG1-CD1 4.04Å; V626-I628 HydrophobicContact CG1-CG1 3.89Å | ||
| 629 | N | 30.2 | Very low | 41 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 37.7 | 160.6 | 136.8 | -141.9 | 0.5 | 0 | 0 | 0 | 123 | ||||
| 630 | K | 48.7 | Very low | 42.7 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | -102 | 160.7 | -162.8 | -53.5 | 173.2 | -177.6 | 174.9 | 0 | 113.8 | ||||
| 631 | N | 47.3 | Very low | 44.1 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | 63.2 | 97.6 | 152.1 | -58.4 | -8.2 | 0 | 0 | 0 | 119.5 | ||||
| 632 | K | 46.3 | Very low | 46.6 | Very low | 208 Ų | 208 | 129.2 Ų | 129.2 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | trans | -168.4 | 174.5 | 133.5 | -115.3 | 173 | -179.1 | 179.5 | 0 | 112.8 | ||||
| 633 | I | 45.2 | Very low | 48.4 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | trans | 73.1 | 70.9 | 174.3 | -39.9 | -177.1 | 0 | 0 | 0 | 115.4 | ||||
| 634 | L | 48 | Very low | 50.8 | Low | 172 Ų | 172 | 125.9 Ų | 125.9 | 90% | 0.901 | 69% | 0.691 | S | S | * | * | trans | -73.1 | 128.3 | 140.9 | 173.4 | 67.3 | 0 | 0 | 0 | 107.3 | ||||
| 635 | G | 45.6 | Very low | 53.7 | Low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | trans | -174.5 | -42.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 636 | T | 47.8 | Very low | 56.3 | Low | 96 Ų | 96 | 127.3 Ų | 127.3 | 59% | 0.589 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -111.2 | -28.6 | -167.3 | 58.6 | 0 | 0 | 0 | 0 | 115.8 | S638 K639 E640 | T636-S638 PolarHBondContact O-N 3.33Å; T636-K639 PolarHBondContact O-N 3.02Å; T636-E640 WeakPolarHBondContact CB-OE1 3.4Å; T636-E640 PolarHBondContact OG1-OE1 3.02Å |
| 637 | S | 53.8 | Low | 59.4 | Low | 73 Ų | 73 | 124.7 Ų | 124.7 | 51% | 0.51 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -59.1 | -16.8 | -162.9 | 55.8 | 0 | 0 | 0 | 0 | 117 | S641 | S637-S641 VanDerWaalsContact O-CB 3.3Å; S637-S641 WeakPolarHBondContact O-CB 3.32Å; S637-S641 PolarHBondContact O-N 2.86Å; S637-S641 PolarHBondContact O-OG 2.96Å |
| 638 | S | 57.4 | Low | 61.8 | Low | 89 Ų | 89 | 120.7 Ų | 120.7 | 62% | 0.622 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.5 | -49.1 | -178.4 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | T636 S641 E642 | T636-S638 PolarHBondContact O-N 3.33Å; S638-S641 PolarHBondContact O-N 3.3Å; S638-S641 PolarHBondContact O-OG 2.82Å; S638-E642 PolarHBondContact O-N 3.31Å |
| 639 | K | 60 | Low | 64.7 | Low | 154 Ų | 154 | 119.5 Ų | 119.5 | 67% | 0.67 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.3 | -46 | -176.1 | -67.7 | -174.9 | 177.9 | -177 | 0 | 111.4 | T636 S641 E642 E643 | T636-K639 PolarHBondContact O-N 3.02Å; K639-S641 PolarHBondContact O-N 2.91Å; K639-E642 PolarHBondContact O-N 3.49Å; K639-E643 PolarHBondContact O-N 3.32Å |
| 640 | E | 64.5 | Low | 67.7 | Low | 107 Ų | 107 | 117.8 Ų | 117.8 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -53.5 | -40.7 | 173.4 | -63.6 | 160.7 | -159.6 | 0 | 0 | 111.4 | T636 L644 | T636-E640 WeakPolarHBondContact CB-OE1 3.4Å; T636-E640 PolarHBondContact OG1-OE1 3.02Å; E640-L644 WeakPolarHBondContact O-CB 3.24Å; E640-L644 PolarHBondContact O-N 2.89Å |
| 641 | S | 59.8 | Low | 69.8 | Low | 69 Ų | 69 | 111.8 Ų | 111.8 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.4 | -33.4 | 177 | 78.9 | 0 | 0 | 0 | 0 | 113.9 | S637 S638 K639 L645 | S637-S641 VanDerWaalsContact O-CB 3.3Å; S637-S641 WeakPolarHBondContact O-CB 3.32Å; S637-S641 PolarHBondContact O-N 2.86Å; S637-S641 PolarHBondContact O-OG 2.96Å; S638-S641 PolarHBondContact O-N 3.3Å; S638-S641 PolarHBondContact O-OG 2.82Å; K639-S641 PolarHBondContact O-N 2.91Å; S641-L645 WeakPolarHBondContact O-CB 3.47Å; S641-L645 PolarHBondContact O-N 3.32Å |
| 642 | E | 77.6 | Confident | 72.1 | Confident | 101 Ų | 101 | 111.4 Ų | 111.4 | 47% | 0.472 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.9 | -41.1 | 178.2 | -162.7 | -166.3 | 137.4 | 0 | 0 | 111.3 | S638 K639 L645 K646 | S638-E642 PolarHBondContact O-N 3.31Å; K639-E642 PolarHBondContact O-N 3.49Å; E642-L645 PolarHBondContact O-N 2.89Å; E642-K646 WeakPolarHBondContact O-CB 3.31Å; E642-K646 WeakPolarHBondContact O-CG 3.38Å; E642-K646 PolarHBondContact O-N 3Å; E642-K646 VanDerWaalsContact OE1-CE 3.26Å; E642-K646 WeakPolarHBondContact OE1-CE 3.42Å; E642-K646 IonicContact OE1-NZ 2.63Å; E642-K646 PolarHBondContact OE1-NZ 3.46Å |
| 643 | E | 82.7 | Confident | 74.4 | Confident | 126 Ų | 126 | 107.6 Ų | 107.6 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65 | -40.3 | 173.6 | -71.4 | 169 | -161 | 0 | 0 | 111.3 | K639 L645 K646 S647 | K639-E643 PolarHBondContact O-N 3.32Å; E643-L645 VanDerWaalsContact C-N 3.33Å; E643-L645 PolarHBondContact O-N 2.91Å; E643-K646 PolarHBondContact O-N 3.25Å; E643-S647 VanDerWaalsContact O-CB 3.3Å; E643-S647 WeakPolarHBondContact O-CB 3.42Å; E643-S647 PolarHBondContact O-N 2.88Å |
| 644 | L | 86.6 | Confident | 76.8 | Confident | 98 Ų | 98 | 104.7 Ų | 104.7 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.3 | -31.1 | 173.5 | -175.2 | 137.9 | 0 | 0 | 0 | 112.6 | E640 K648 | E640-L644 WeakPolarHBondContact O-CB 3.24Å; E640-L644 PolarHBondContact O-N 2.89Å; L644-K648 HydrophobicContact CD2-CD 4.05Å; L644-K648 WeakPolarHBondContact O-CB 3.14Å; L644-K648 VanDerWaalsContact O-CG 3.3Å; L644-K648 WeakPolarHBondContact O-CG 3.5Å; L644-K648 PolarHBondContact O-N 3.25Å; L644-K648 VanDerWaalsContact O-N 3.09Å |
| 645 | L | 88.1 | Confident | 78.9 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 62% | 0.618 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.6 | -43.1 | 172 | -177 | 61.7 | 0 | 0 | 0 | 111.8 | S641 E642 E643 K648 M649 | S641-L645 WeakPolarHBondContact O-CB 3.47Å; S641-L645 PolarHBondContact O-N 3.32Å; E642-L645 PolarHBondContact O-N 2.89Å; E643-L645 VanDerWaalsContact C-N 3.33Å; E643-L645 PolarHBondContact O-N 2.91Å; L645-K648 PolarHBondContact O-N 2.97Å; L645-M649 WeakPolarHBondContact O-CB 3.41Å; L645-M649 PolarHBondContact O-N 3.45Å |
| 646 | K | 91.3 | Very high | 81.1 | Confident | 101 Ų | 101 | 107.6 Ų | 107.6 | 44% | 0.439 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 173.8 | -75.2 | 161.7 | 168.8 | 168.7 | 0 | 111.6 | E642 E643 M649 L650 | E642-K646 WeakPolarHBondContact O-CB 3.31Å; E642-K646 WeakPolarHBondContact O-CG 3.38Å; E642-K646 PolarHBondContact O-N 3Å; E642-K646 VanDerWaalsContact OE1-CE 3.26Å; E642-K646 WeakPolarHBondContact OE1-CE 3.42Å; E642-K646 IonicContact OE1-NZ 2.63Å; E642-K646 PolarHBondContact OE1-NZ 3.46Å; E643-K646 PolarHBondContact O-N 3.25Å; K646-M649 WeakPolarHBondContact O-CB 3.26Å; K646-M649 PolarHBondContact O-N 3.1Å; K646-L650 WeakPolarHBondContact O-CG 3.38Å; K646-L650 PolarHBondContact O-N 3.44Å |
| 647 | S | 92 | Very high | 83.4 | Confident | 76 Ų | 76 | 109 Ų | 109 | 53% | 0.531 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | E643 M649 L650 A651 | E643-S647 VanDerWaalsContact O-CB 3.3Å; E643-S647 WeakPolarHBondContact O-CB 3.42Å; E643-S647 PolarHBondContact O-N 2.88Å; S647-M649 PolarHBondContact O-N 2.85Å; S647-L650 PolarHBondContact O-N 3.22Å; S647-A651 WeakPolarHBondContact O-CB 3.34Å; S647-A651 PolarHBondContact O-N 2.73Å |
| 648 | K | 91.5 | Very high | 85.3 | Confident | 114 Ų | 114 | 112.3 Ų | 112.3 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 173.9 | -76.2 | 172.2 | 178.5 | 178.4 | 0 | 112.9 | L644 L645 A651 F652 | L644-K648 HydrophobicContact CD2-CD 4.05Å; L644-K648 WeakPolarHBondContact O-CB 3.14Å; L644-K648 VanDerWaalsContact O-CG 3.3Å; L644-K648 WeakPolarHBondContact O-CG 3.5Å; L644-K648 PolarHBondContact O-N 3.25Å; L644-K648 VanDerWaalsContact O-N 3.09Å; L645-K648 PolarHBondContact O-N 2.97Å; K648-A651 PolarHBondContact O-N 2.85Å; K648-F652 WeakPolarHBondContact O-CD2 3.42Å; K648-F652 PolarHBondContact O-N 2.87Å |
| 649 | M | 93.3 | Very high | 87.1 | Confident | 124 Ų | 124 | 112.9 Ų | 112.9 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.5 | -46.3 | 177.7 | -174.3 | 171.6 | 67.9 | 0 | 0 | 111.5 | L645 K646 S647 F652 E653 | L645-M649 WeakPolarHBondContact O-CB 3.41Å; L645-M649 PolarHBondContact O-N 3.45Å; K646-M649 WeakPolarHBondContact O-CB 3.26Å; K646-M649 PolarHBondContact O-N 3.1Å; S647-M649 PolarHBondContact O-N 2.85Å; M649-F652 PolarHBondContact O-N 3.16Å; M649-E653 PolarHBondContact O-N 3.42Å |
| 650 | L | 93.8 | Very high | 88.7 | Confident | 106 Ų | 106 | 111.3 Ų | 111.3 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 175 | -69.9 | 170.1 | 0 | 0 | 0 | 111.9 | K646 S647 F652 E653 E654 | K646-L650 WeakPolarHBondContact O-CG 3.38Å; K646-L650 PolarHBondContact O-N 3.44Å; S647-L650 PolarHBondContact O-N 3.22Å; L650-F652 VanDerWaalsContact C-N 3.32Å; L650-F652 PolarHBondContact O-N 2.98Å; L650-E653 PolarHBondContact O-N 3.48Å; L650-E653 VanDerWaalsContact O-N 3.15Å; L650-E654 WeakPolarHBondContact O-CB 3.32Å; L650-E654 PolarHBondContact O-N 2.91Å |
| 651 | A | 93.6 | Very high | 90.2 | Very high | 47 Ų | 47 | 109.9 Ų | 109.9 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S647 K648 M655 | S647-A651 WeakPolarHBondContact O-CB 3.34Å; S647-A651 PolarHBondContact O-N 2.73Å; K648-A651 PolarHBondContact O-N 2.85Å; A651-M655 WeakPolarHBondContact O-CB 3.46Å; A651-M655 PolarHBondContact O-N 3.2Å |
| 652 | F | 95.6 | Very high | 91.9 | Very high | 141 Ų | 141 | 111.1 Ų | 111.1 | 62% | 0.618 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.7 | -35 | 172.8 | -73.2 | -56.4 | 0 | 0 | 0 | 112.9 | K648 M649 L650 R656 | K648-F652 WeakPolarHBondContact O-CD2 3.42Å; K648-F652 PolarHBondContact O-N 2.87Å; M649-F652 PolarHBondContact O-N 3.16Å; L650-F652 VanDerWaalsContact C-N 3.32Å; L650-F652 PolarHBondContact O-N 2.98Å; F652-R656 VanDerWaalsContact O-CB 3.3Å; F652-R656 WeakPolarHBondContact O-CB 3.37Å; F652-R656 PolarHBondContact O-N 2.95Å |
| 653 | E | 95.1 | Very high | 92.7 | Very high | 127 Ų | 127 | 110.9 Ų | 110.9 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.7 | -43.5 | 174.1 | -176.3 | 162.1 | -144 | 0 | 0 | 111.7 | M649 L650 R656 K657 | M649-E653 PolarHBondContact O-N 3.42Å; L650-E653 PolarHBondContact O-N 3.48Å; L650-E653 VanDerWaalsContact O-N 3.15Å; E653-R656 PolarHBondContact O-N 3.36Å; E653-K657 WeakPolarHBondContact O-CB 3.49Å; E653-K657 PolarHBondContact O-N 2.78Å |
| 654 | E | 94.3 | Very high | 93.3 | Very high | 96 Ų | 96 | 107.5 Ų | 107.5 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.9 | -164.9 | -165 | 167.7 | 0 | 0 | 111.8 | L650 R656 K657 R658 | L650-E654 WeakPolarHBondContact O-CB 3.32Å; L650-E654 PolarHBondContact O-N 2.91Å; E654-R656 VanDerWaalsContact C-N 3.34Å; E654-R656 PolarHBondContact O-N 3.41Å; E654-K657 PolarHBondContact O-N 2.81Å; E654-R658 PolarHBondContact O-N 2.78Å; E654-R658 IonicContact OE1-CZ 2.59Å; E654-R658 IonicContact OE1-NH1 2.6Å; E654-R658 PolarHBondContact OE1-NH1 2.78Å; E654-R658 IonicContact OE1-NH2 3.47Å; E654-R658 PolarHBondContact OE1-NH2 3.3Å; E654-R658 IonicContact OE2-NH1 2.72Å |
| 655 | M | 93.4 | Very high | 93.8 | Very high | 120 Ų | 120 | 107.6 Ų | 107.6 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 173.4 | -176.5 | -173.7 | -62.5 | 0 | 0 | 111.7 | A651 L659 | A651-M655 WeakPolarHBondContact O-CB 3.46Å; A651-M655 PolarHBondContact O-N 3.2Å; M655-L659 WeakPolarHBondContact O-CB 3.34Å; M655-L659 PolarHBondContact O-N 2.91Å; M655-L659 VanDerWaalsContact O-N 3.07Å |
| 656 | R | 90.8 | Very high | 94.1 | Very high | 177 Ų | 177 | 107.8 Ų | 107.8 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 175.3 | 177.8 | 178.9 | 170.2 | -178.4 | -5.3 | 111.5 | F652 E653 E654 L659 E660 | F652-R656 VanDerWaalsContact O-CB 3.3Å; F652-R656 WeakPolarHBondContact O-CB 3.37Å; F652-R656 PolarHBondContact O-N 2.95Å; E653-R656 PolarHBondContact O-N 3.36Å; E654-R656 VanDerWaalsContact C-N 3.34Å; E654-R656 PolarHBondContact O-N 3.41Å; R656-L659 PolarHBondContact O-N 3.43Å; R656-E660 WeakPolarHBondContact O-CB 3.41Å; R656-E660 PolarHBondContact O-N 3.19Å |
| 657 | K | 95.3 | Very high | 94.3 | Very high | 126 Ų | 126 | 107.9 Ų | 107.9 | 55% | 0.548 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 177 | -173.7 | 173.4 | -177.8 | -72.8 | 0 | 111.2 | E653 E654 L659 E660 E661 | E653-K657 WeakPolarHBondContact O-CB 3.49Å; E653-K657 PolarHBondContact O-N 2.78Å; E654-K657 PolarHBondContact O-N 2.81Å; K657-L659 VanDerWaalsContact C-N 3.32Å; K657-L659 PolarHBondContact O-N 2.87Å; K657-E660 PolarHBondContact O-N 2.9Å; K657-E661 IonicContact NZ-OE1 3.82Å; K657-E661 PolarHBondContact NZ-OE1 3.19Å; K657-E661 WeakPolarHBondContact O-CB 3.34Å; K657-E661 VanDerWaalsContact O-CG 3.3Å; K657-E661 WeakPolarHBondContact O-CG 3.37Å; K657-E661 PolarHBondContact O-N 3.3Å |
| 658 | R | 94.1 | Very high | 94.4 | Very high | 142 Ų | 142 | 107.4 Ų | 107.4 | 54% | 0.536 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 172.7 | -76.2 | -169.6 | 177.5 | 95.6 | 10.8 | 112.7 | E654 E661 Q662 | E654-R658 PolarHBondContact O-N 2.78Å; E654-R658 IonicContact OE1-CZ 2.59Å; E654-R658 IonicContact OE1-NH1 2.6Å; E654-R658 PolarHBondContact OE1-NH1 2.78Å; E654-R658 IonicContact OE1-NH2 3.47Å; E654-R658 PolarHBondContact OE1-NH2 3.3Å; E654-R658 IonicContact OE2-NH1 2.72Å; R658-E661 PolarHBondContact O-N 3.27Å; R658-Q662 WeakPolarHBondContact O-CB 3.39Å; R658-Q662 WeakPolarHBondContact O-CG 3.25Å; R658-Q662 PolarHBondContact O-N 3.36Å |
| 659 | L | 95.9 | Very high | 94.7 | Very high | 101 Ų | 101 | 108 Ų | 108 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 179.1 | -173.6 | 142 | 0 | 0 | 0 | 112.3 | M655 R656 K657 H663 | M655-L659 WeakPolarHBondContact O-CB 3.34Å; M655-L659 PolarHBondContact O-N 2.91Å; M655-L659 VanDerWaalsContact O-N 3.07Å; R656-L659 PolarHBondContact O-N 3.43Å; K657-L659 VanDerWaalsContact C-N 3.32Å; K657-L659 PolarHBondContact O-N 2.87Å; L659-H663 VanDerWaalsContact CD2-CE1 3.43Å; L659-H663 WeakPolarHBondContact CD2-CE1 3.43Å; L659-H663 PolarHBondContact O-N 3.15Å; L659-H663 VanDerWaalsContact O-N 3.08Å |
| 660 | E | 93.7 | Very high | 94.8 | Very high | 121 Ų | 121 | 106.9 Ų | 106.9 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.9 | -38.8 | 173.1 | -167.5 | 155.8 | -177.6 | 0 | 0 | 111.8 | R656 K657 H663 A664 | R656-E660 WeakPolarHBondContact O-CB 3.41Å; R656-E660 PolarHBondContact O-N 3.19Å; K657-E660 PolarHBondContact O-N 2.9Å; E660-H663 PolarHBondContact O-N 2.98Å; E660-A664 WeakPolarHBondContact O-CB 3.27Å; E660-A664 PolarHBondContact O-N 2.76Å |
| 661 | E | 96 | Very high | 94.8 | Very high | 76 Ų | 76 | 107 Ų | 107 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 171.2 | -73.5 | 165.9 | 176.3 | 0 | 0 | 112.3 | K657 R658 H663 A664 Q665 | K657-E661 IonicContact NZ-OE1 3.82Å; K657-E661 PolarHBondContact NZ-OE1 3.19Å; K657-E661 WeakPolarHBondContact O-CB 3.34Å; K657-E661 VanDerWaalsContact O-CG 3.3Å; K657-E661 WeakPolarHBondContact O-CG 3.37Å; K657-E661 PolarHBondContact O-N 3.3Å; R658-E661 PolarHBondContact O-N 3.27Å; E661-H663 PolarHBondContact O-N 2.84Å; E661-A664 PolarHBondContact O-N 2.93Å; E661-Q665 VanDerWaalsContact O-CG 3.31Å; E661-Q665 WeakPolarHBondContact O-CG 3.41Å; E661-Q665 PolarHBondContact O-N 2.85Å |
| 662 | Q | 96.2 | Very high | 94.9 | Very high | 95 Ų | 95 | 106.6 Ų | 106.6 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 173.2 | -75.9 | -59.7 | -69 | 0 | 0 | 112.1 | R658 Q665 Q666 | R658-Q662 WeakPolarHBondContact O-CB 3.39Å; R658-Q662 WeakPolarHBondContact O-CG 3.25Å; R658-Q662 PolarHBondContact O-N 3.36Å; Q662-Q665 PolarHBondContact O-N 3.43Å; Q662-Q666 WeakPolarHBondContact O-CG 3.31Å; Q662-Q666 PolarHBondContact O-N 2.92Å |
| 663 | H | 93.4 | Very high | 94.9 | Very high | 97 Ų | 97 | 105.1 Ų | 105.1 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 173.4 | -68.2 | 166.7 | 0 | 0 | 0 | 112.2 | L659 E660 E661 Q666 L667 | L659-H663 VanDerWaalsContact CD2-CE1 3.43Å; L659-H663 WeakPolarHBondContact CD2-CE1 3.43Å; L659-H663 PolarHBondContact O-N 3.15Å; L659-H663 VanDerWaalsContact O-N 3.08Å; E660-H663 PolarHBondContact O-N 2.98Å; E661-H663 PolarHBondContact O-N 2.84Å; H663-Q666 PolarHBondContact O-N 3.48Å; H663-L667 WeakPolarHBondContact O-CB 3.42Å; H663-L667 VanDerWaalsContact O-CG 3.31Å; H663-L667 WeakPolarHBondContact O-CG 3.15Å; H663-L667 PolarHBondContact O-N 3.14Å |
| 664 | A | 95.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 104.9 Ų | 104.9 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E660 E661 L667 S668 | E660-A664 WeakPolarHBondContact O-CB 3.27Å; E660-A664 PolarHBondContact O-N 2.76Å; E661-A664 PolarHBondContact O-N 2.93Å; A664-L667 PolarHBondContact O-N 3.29Å; A664-S668 PolarHBondContact O-N 3.16Å; A664-S668 PolarHBondContact O-OG 2.86Å |
| 665 | Q | 96.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 105.8 Ų | 105.8 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 174.8 | -72.4 | 172.7 | 6.8 | 0 | 0 | 112.6 | E661 Q662 L667 S668 L669 | E661-Q665 VanDerWaalsContact O-CG 3.31Å; E661-Q665 WeakPolarHBondContact O-CG 3.41Å; E661-Q665 PolarHBondContact O-N 2.85Å; Q662-Q665 PolarHBondContact O-N 3.43Å; Q665-L667 VanDerWaalsContact C-N 3.34Å; Q665-S668 PolarHBondContact O-OG 3.47Å; Q665-S668 VanDerWaalsContact O-OG 3.09Å; Q665-L669 WeakPolarHBondContact O-CB 3.31Å; Q665-L669 WeakPolarHBondContact O-CG 3.19Å; Q665-L669 PolarHBondContact O-N 3.25Å; Q665-L669 VanDerWaalsContact O-N 3.07Å |
| 666 | Q | 94.3 | Very high | 94.9 | Very high | 122 Ų | 122 | 107.5 Ų | 107.5 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -35.9 | 174 | -71.4 | 174.3 | 17.5 | 0 | 0 | 112.2 | Q662 H663 L670 | Q662-Q666 WeakPolarHBondContact O-CG 3.31Å; Q662-Q666 PolarHBondContact O-N 2.92Å; H663-Q666 PolarHBondContact O-N 3.48Å; Q666-L670 PolarHBondContact O-N 3.42Å |
| 667 | L | 96 | Very high | 95 | Very high | 104 Ų | 104 | 104.3 Ų | 104.3 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.2 | -39.9 | 175.5 | -71.8 | 170.2 | 0 | 0 | 0 | 112.4 | H663 A664 Q665 L670 I671 | H663-L667 WeakPolarHBondContact O-CB 3.42Å; H663-L667 VanDerWaalsContact O-CG 3.31Å; H663-L667 WeakPolarHBondContact O-CG 3.15Å; H663-L667 PolarHBondContact O-N 3.14Å; A664-L667 PolarHBondContact O-N 3.29Å; Q665-L667 VanDerWaalsContact C-N 3.34Å; L667-L670 PolarHBondContact O-N 2.85Å; L667-I671 WeakPolarHBondContact O-CD1 3.42Å; L667-I671 VanDerWaalsContact O-CG1 3.25Å; L667-I671 WeakPolarHBondContact O-CG1 3.49Å; L667-I671 PolarHBondContact O-N 3.11Å |
| 668 | S | 94.8 | Very high | 94.7 | Very high | 66 Ų | 66 | 103.4 Ų | 103.4 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 177.6 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | A664 Q665 L670 I671 A672 | A664-S668 PolarHBondContact O-N 3.16Å; A664-S668 PolarHBondContact O-OG 2.86Å; Q665-S668 PolarHBondContact O-OG 3.47Å; Q665-S668 VanDerWaalsContact O-OG 3.09Å; S668-L670 VanDerWaalsContact C-N 3.34Å; S668-L670 PolarHBondContact O-N 3.45Å; S668-I671 PolarHBondContact O-N 2.87Å; S668-A672 WeakPolarHBondContact O-CB 3.25Å; S668-A672 PolarHBondContact O-N 3.06Å |
| 669 | L | 97 | Very high | 94.7 | Very high | 126 Ų | 126 | 100.6 Ų | 100.6 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.1 | -43 | 171 | -78.6 | 167.4 | 0 | 0 | 0 | 112.2 | Q665 E673 | Q665-L669 WeakPolarHBondContact O-CB 3.31Å; Q665-L669 WeakPolarHBondContact O-CG 3.19Å; Q665-L669 PolarHBondContact O-N 3.25Å; Q665-L669 VanDerWaalsContact O-N 3.07Å; L669-E673 WeakPolarHBondContact O-CB 3.4Å; L669-E673 PolarHBondContact O-N 3.27Å |
| 670 | L | 95.8 | Very high | 94.7 | Very high | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 177.5 | -177.1 | 64.8 | 0 | 0 | 0 | 112.3 | Q666 L667 S668 E673 Q674 | Q666-L670 PolarHBondContact O-N 3.42Å; L667-L670 PolarHBondContact O-N 2.85Å; S668-L670 VanDerWaalsContact C-N 3.34Å; S668-L670 PolarHBondContact O-N 3.45Å; L670-E673 PolarHBondContact O-N 2.92Å; L670-Q674 PolarHBondContact O-N 3.33Å |
| 671 | I | 94.2 | Very high | 94.7 | Very high | 108 Ų | 108 | 101.6 Ų | 101.6 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.1 | -47.2 | 175.4 | -70 | 162.9 | 0 | 0 | 0 | 110.2 | L667 S668 E673 Q674 E675 | L667-I671 WeakPolarHBondContact O-CD1 3.42Å; L667-I671 VanDerWaalsContact O-CG1 3.25Å; L667-I671 WeakPolarHBondContact O-CG1 3.49Å; L667-I671 PolarHBondContact O-N 3.11Å; S668-I671 PolarHBondContact O-N 2.87Å; I671-E673 VanDerWaalsContact C-N 3.28Å; I671-E673 PolarHBondContact O-N 3.05Å; I671-Q674 PolarHBondContact O-N 2.59Å; I671-Q674 VanDerWaalsContact O-N 3.12Å; I671-E675 WeakPolarHBondContact O-CB 3.39Å; I671-E675 PolarHBondContact O-N 3.31Å |
| 672 | A | 95.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 104.2 Ų | 104.2 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.4 | -22.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S668 R676 | S668-A672 WeakPolarHBondContact O-CB 3.25Å; S668-A672 PolarHBondContact O-N 3.06Å; A672-R676 VanDerWaalsContact O-CG 3.28Å; A672-R676 WeakPolarHBondContact O-CG 3.36Å; A672-R676 PolarHBondContact O-N 2.84Å; A672-R676 PolarHBondContact O-NE 2.96Å |
| 673 | E | 94.5 | Very high | 94.5 | Very high | 111 Ų | 111 | 105.3 Ų | 105.3 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.8 | -45.5 | 166.6 | -173.4 | 170.4 | -126.2 | 0 | 0 | 111.4 | L669 L670 I671 E675 R676 E677 | L669-E673 WeakPolarHBondContact O-CB 3.4Å; L669-E673 PolarHBondContact O-N 3.27Å; L670-E673 PolarHBondContact O-N 2.92Å; I671-E673 VanDerWaalsContact C-N 3.28Å; I671-E673 PolarHBondContact O-N 3.05Å; E673-E675 VanDerWaalsContact C-N 3.34Å; E673-E675 PolarHBondContact O-N 3.46Å; E673-R676 PolarHBondContact O-N 3.33Å; E673-E677 PolarHBondContact O-N 3.16Å; E673-E677 VanDerWaalsContact O-N 3.1Å |
| 674 | Q | 95 | Very high | 94.6 | Very high | 122 Ų | 122 | 104.8 Ų | 104.8 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -38.9 | 176.5 | -166.7 | -172.4 | -70.7 | 0 | 0 | 112.5 | L670 I671 E677 Q678 | L670-Q674 PolarHBondContact O-N 3.33Å; I671-Q674 PolarHBondContact O-N 2.59Å; I671-Q674 VanDerWaalsContact O-N 3.12Å; Q674-E677 PolarHBondContact O-N 2.85Å; Q674-Q678 WeakPolarHBondContact O-CG 3.25Å; Q674-Q678 PolarHBondContact O-N 3.48Å |
| 675 | E | 93.6 | Very high | 94.5 | Very high | 114 Ų | 114 | 107.6 Ų | 107.6 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 178.4 | -173.5 | 165.1 | -139.3 | 0 | 0 | 111.5 | I671 E673 E677 Q678 E679 | I671-E675 WeakPolarHBondContact O-CB 3.39Å; I671-E675 PolarHBondContact O-N 3.31Å; E673-E675 VanDerWaalsContact C-N 3.34Å; E673-E675 PolarHBondContact O-N 3.46Å; E675-E677 VanDerWaalsContact C-N 3.33Å; E675-E677 PolarHBondContact O-N 3.44Å; E675-Q678 WeakPolarHBondContact O-CA 3.39Å; E675-Q678 WeakPolarHBondContact O-CB 3.28Å; E675-Q678 PolarHBondContact O-N 2.88Å; E675-E679 PolarHBondContact O-N 2.64Å |
| 676 | R | 95.9 | Very high | 94.5 | Very high | 156 Ų | 156 | 109.4 Ų | 109.4 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -34.2 | 174.4 | -73.7 | 178.8 | -62.5 | 151.5 | 6 | 113.3 | A672 E673 R680 | A672-R676 VanDerWaalsContact O-CG 3.28Å; A672-R676 WeakPolarHBondContact O-CG 3.36Å; A672-R676 PolarHBondContact O-N 2.84Å; A672-R676 PolarHBondContact O-NE 2.96Å; E673-R676 PolarHBondContact O-N 3.33Å; R676-R680 VanDerWaalsContact O-CB 3.29Å; R676-R680 WeakPolarHBondContact O-CB 3.46Å; R676-R680 PolarHBondContact O-N 3.06Å |
| 677 | E | 92.4 | Very high | 94.5 | Very high | 110 Ų | 110 | 109.2 Ų | 109.2 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.7 | -32.7 | 171.7 | -73.9 | -66.9 | 159.6 | 0 | 0 | 112.2 | E673 Q674 E675 R680 L681 | E673-E677 PolarHBondContact O-N 3.16Å; E673-E677 VanDerWaalsContact O-N 3.1Å; Q674-E677 PolarHBondContact O-N 2.85Å; E675-E677 VanDerWaalsContact C-N 3.33Å; E675-E677 PolarHBondContact O-N 3.44Å; E677-R680 PolarHBondContact O-N 3.23Å; E677-L681 WeakPolarHBondContact O-CG 3.14Å; E677-L681 PolarHBondContact O-N 3.5Å |
| 678 | Q | 88.9 | Confident | 94.2 | Very high | 108 Ų | 108 | 109.4 Ų | 109.4 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.2 | -45.5 | 172.1 | -74.9 | 179.9 | -8.3 | 0 | 0 | 112 | Q674 E675 R680 L681 Q682 | Q674-Q678 WeakPolarHBondContact O-CG 3.25Å; Q674-Q678 PolarHBondContact O-N 3.48Å; E675-Q678 WeakPolarHBondContact O-CA 3.39Å; E675-Q678 WeakPolarHBondContact O-CB 3.28Å; E675-Q678 PolarHBondContact O-N 2.88Å; Q678-R680 VanDerWaalsContact C-N 3.31Å; Q678-R680 PolarHBondContact O-N 3.33Å; Q678-L681 PolarHBondContact O-N 2.66Å; Q678-Q682 WeakPolarHBondContact O-CG 3.36Å; Q678-Q682 PolarHBondContact O-N 3.47Å |
| 679 | E | 93.9 | Very high | 94 | Very high | 83 Ų | 83 | 111 Ų | 111 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 171.1 | -80.3 | -169.1 | -143.6 | 0 | 0 | 112 | E675 L681 Q682 K683 | E675-E679 PolarHBondContact O-N 2.64Å; E679-L681 VanDerWaalsContact C-N 3.33Å; E679-L681 PolarHBondContact O-N 2.67Å; E679-Q682 PolarHBondContact O-N 3.43Å; E679-K683 WeakPolarHBondContact O-CB 3.47Å; E679-K683 WeakPolarHBondContact O-CG 3.27Å; E679-K683 PolarHBondContact O-N 2.84Å; E679-K683 IonicContact OE2-NZ 2.67Å; E679-K683 PolarHBondContact OE2-NZ 2.97Å |
| 680 | R | 96.6 | Very high | 93.8 | Very high | 144 Ų | 144 | 111.4 Ų | 111.4 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.5 | -48 | 178.2 | -177.8 | -170.6 | 167.3 | 71.3 | 28.9 | 110.6 | R676 E677 Q678 K683 E684 | R676-R680 VanDerWaalsContact O-CB 3.29Å; R676-R680 WeakPolarHBondContact O-CB 3.46Å; R676-R680 PolarHBondContact O-N 3.06Å; E677-R680 PolarHBondContact O-N 3.23Å; Q678-R680 VanDerWaalsContact C-N 3.31Å; Q678-R680 PolarHBondContact O-N 3.33Å; R680-K683 PolarHBondContact O-N 3.46Å; R680-E684 IonicContact NH2-OE2 2.65Å; R680-E684 PolarHBondContact NH2-OE2 3.49Å; R680-E684 WeakPolarHBondContact O-CB 3.27Å; R680-E684 PolarHBondContact O-N 3.3Å |
| 681 | L | 94 | Very high | 93.5 | Very high | 99 Ų | 99 | 109.8 Ų | 109.8 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -36 | 178.4 | -70.7 | 169.4 | 0 | 0 | 0 | 112.4 | E677 Q678 E679 I685 | E677-L681 WeakPolarHBondContact O-CG 3.14Å; E677-L681 PolarHBondContact O-N 3.5Å; Q678-L681 PolarHBondContact O-N 2.66Å; E679-L681 VanDerWaalsContact C-N 3.33Å; E679-L681 PolarHBondContact O-N 2.67Å; L681-I685 WeakPolarHBondContact O-CD1 3.38Å; L681-I685 VanDerWaalsContact O-CG1 3.22Å; L681-I685 WeakPolarHBondContact O-CG1 3.45Å; L681-I685 PolarHBondContact O-N 3Å |
| 682 | Q | 92 | Very high | 93 | Very high | 131 Ų | 131 | 109.9 Ų | 109.9 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -45.7 | 173.7 | -74.8 | 175.9 | -11.2 | 0 | 0 | 111.9 | Q678 E679 E684 I685 E686 | Q678-Q682 WeakPolarHBondContact O-CG 3.36Å; Q678-Q682 PolarHBondContact O-N 3.47Å; E679-Q682 PolarHBondContact O-N 3.43Å; Q682-E684 VanDerWaalsContact C-N 3.34Å; Q682-E684 PolarHBondContact O-N 2.79Å; Q682-I685 PolarHBondContact O-N 3.09Å; Q682-E686 WeakPolarHBondContact O-CB 3.46Å; Q682-E686 PolarHBondContact O-N 3.1Å |
| 683 | K | 94.9 | Very high | 92.6 | Very high | 118 Ų | 118 | 113.8 Ų | 113.8 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 176.4 | -73.1 | 161.7 | 179.3 | 164.9 | 0 | 111.8 | E679 R680 E686 E687 | E679-K683 WeakPolarHBondContact O-CB 3.47Å; E679-K683 WeakPolarHBondContact O-CG 3.27Å; E679-K683 PolarHBondContact O-N 2.84Å; E679-K683 IonicContact OE2-NZ 2.67Å; E679-K683 PolarHBondContact OE2-NZ 2.97Å; R680-K683 PolarHBondContact O-N 3.46Å; K683-E686 PolarHBondContact O-N 3.12Å; K683-E687 WeakPolarHBondContact O-CB 3.27Å; K683-E687 PolarHBondContact O-N 2.71Å |
| 684 | E | 95 | Very high | 92.1 | Very high | 85 Ų | 85 | 112.4 Ų | 112.4 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -35.2 | 174.5 | -163.5 | 167.7 | 147.9 | 0 | 0 | 111.7 | R680 Q682 Q688 | R680-E684 IonicContact NH2-OE2 2.65Å; R680-E684 PolarHBondContact NH2-OE2 3.49Å; R680-E684 WeakPolarHBondContact O-CB 3.27Å; R680-E684 PolarHBondContact O-N 3.3Å; Q682-E684 VanDerWaalsContact C-N 3.34Å; Q682-E684 PolarHBondContact O-N 2.79Å; E684-Q688 VanDerWaalsContact O-CG 3.3Å; E684-Q688 WeakPolarHBondContact O-CG 3.45Å; E684-Q688 PolarHBondContact O-N 3.3Å |
| 685 | I | 94.6 | Very high | 91.6 | Very high | 114 Ų | 114 | 111.7 Ų | 111.7 | 59% | 0.585 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.4 | -44.8 | 172.1 | -70.9 | 163.1 | 0 | 0 | 0 | 111.4 | L681 Q682 E687 Q688 E689 | L681-I685 WeakPolarHBondContact O-CD1 3.38Å; L681-I685 VanDerWaalsContact O-CG1 3.22Å; L681-I685 WeakPolarHBondContact O-CG1 3.45Å; L681-I685 PolarHBondContact O-N 3Å; Q682-I685 PolarHBondContact O-N 3.09Å; I685-E687 VanDerWaalsContact C-N 3.33Å; I685-E687 PolarHBondContact O-N 3.36Å; I685-Q688 PolarHBondContact O-N 3.35Å; I685-E689 PolarHBondContact O-N 2.91Å |
| 686 | E | 95.7 | Very high | 91.1 | Very high | 137 Ų | 137 | 114.1 Ų | 114.1 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -39.8 | 176.7 | -176.2 | 176.5 | -163 | 0 | 0 | 111.5 | Q682 K683 E689 K690 | Q682-E686 WeakPolarHBondContact O-CB 3.46Å; Q682-E686 PolarHBondContact O-N 3.1Å; K683-E686 PolarHBondContact O-N 3.12Å; E686-E689 PolarHBondContact O-N 2.95Å; E686-K690 WeakPolarHBondContact O-CB 3.48Å; E686-K690 PolarHBondContact O-N 3.21Å |
| 687 | E | 93.6 | Very high | 90.1 | Very high | 118 Ų | 118 | 108.6 Ų | 108.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 173.2 | -174 | 178.6 | -169.7 | 0 | 0 | 111.7 | K683 I685 E689 K690 M691 | K683-E687 WeakPolarHBondContact O-CB 3.27Å; K683-E687 PolarHBondContact O-N 2.71Å; I685-E687 VanDerWaalsContact C-N 3.33Å; I685-E687 PolarHBondContact O-N 3.36Å; E687-E689 VanDerWaalsContact C-N 3.32Å; E687-E689 PolarHBondContact O-N 2.8Å; E687-K690 PolarHBondContact O-N 2.9Å; E687-M691 WeakPolarHBondContact O-CB 3.31Å; E687-M691 VanDerWaalsContact O-CG 3.27Å; E687-M691 WeakPolarHBondContact O-CG 3.46Å; E687-M691 PolarHBondContact O-N 2.94Å |
| 688 | Q | 91.2 | Very high | 89.1 | Confident | 109 Ų | 109 | 108 Ų | 108 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 173.4 | -68.2 | -59.9 | -45.6 | 0 | 0 | 112 | E684 I685 M691 L692 | E684-Q688 VanDerWaalsContact O-CG 3.3Å; E684-Q688 WeakPolarHBondContact O-CG 3.45Å; E684-Q688 PolarHBondContact O-N 3.3Å; I685-Q688 PolarHBondContact O-N 3.35Å; Q688-M691 PolarHBondContact O-N 2.82Å; Q688-L692 WeakPolarHBondContact O-CB 3.29Å; Q688-L692 VanDerWaalsContact O-CG 3.29Å; Q688-L692 WeakPolarHBondContact O-CG 3.43Å; Q688-L692 PolarHBondContact O-N 3.35Å |
| 689 | E | 90.9 | Very high | 87.7 | Confident | 100 Ų | 100 | 107.7 Ų | 107.7 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 175.7 | -162.1 | -173.7 | 144.2 | 0 | 0 | 111.7 | I685 E686 E687 L692 K693 | I685-E689 PolarHBondContact O-N 2.91Å; E686-E689 PolarHBondContact O-N 2.95Å; E687-E689 VanDerWaalsContact C-N 3.32Å; E687-E689 PolarHBondContact O-N 2.8Å; E689-L692 PolarHBondContact O-N 3.2Å; E689-K693 HydrophobicContact CG-CD 4.49Å; E689-K693 WeakPolarHBondContact O-CG 3.44Å; E689-K693 PolarHBondContact O-N 3.08Å; E689-K693 WeakPolarHBondContact OE1-CE 3.34Å; E689-K693 IonicContact OE1-NZ 2.84Å; E689-K693 PolarHBondContact OE1-NZ 3.08Å |
| 690 | K | 91.9 | Very high | 86.1 | Confident | 133 Ų | 133 | 106 Ų | 106 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -49.2 | 172.6 | -174.5 | -171.6 | 172 | -168.9 | 0 | 110.7 | E686 E687 L692 K693 E694 | E686-K690 WeakPolarHBondContact O-CB 3.48Å; E686-K690 PolarHBondContact O-N 3.21Å; E687-K690 PolarHBondContact O-N 2.9Å; K690-L692 PolarHBondContact O-N 3.36Å; K690-K693 CarbonylContact O-C 3.57Å; K690-K693 WeakPolarHBondContact O-CB 3.39Å; K690-K693 PolarHBondContact O-N 2.9Å; K690-E694 WeakPolarHBondContact O-CB 3.49Å; K690-E694 PolarHBondContact O-N 3.03Å |
| 691 | M | 88.6 | Confident | 84 | Confident | 66 Ų | 66 | 105 Ų | 105 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -29.2 | 176.7 | -72.3 | -60.7 | -61 | 0 | 0 | 112.7 | E687 Q688 K695 | E687-M691 WeakPolarHBondContact O-CB 3.31Å; E687-M691 VanDerWaalsContact O-CG 3.27Å; E687-M691 WeakPolarHBondContact O-CG 3.46Å; E687-M691 PolarHBondContact O-N 2.94Å; Q688-M691 PolarHBondContact O-N 2.82Å; M691-K695 WeakPolarHBondContact O-CB 3.46Å; M691-K695 VanDerWaalsContact O-CD 3.22Å; M691-K695 WeakPolarHBondContact O-CD 3.27Å; M691-K695 WeakPolarHBondContact O-CG 3.3Å; M691-K695 PolarHBondContact O-N 2.95Å; M691-K695 VanDerWaalsContact O-N 3.13Å |
| 692 | L | 84.8 | Confident | 81.9 | Confident | 110 Ų | 110 | 105.8 Ų | 105.8 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -77.9 | -36.4 | 173.1 | -74.7 | 167.9 | 0 | 0 | 0 | 112.7 | Q688 E689 K690 K696 | Q688-L692 WeakPolarHBondContact O-CB 3.29Å; Q688-L692 VanDerWaalsContact O-CG 3.29Å; Q688-L692 WeakPolarHBondContact O-CG 3.43Å; Q688-L692 PolarHBondContact O-N 3.35Å; E689-L692 PolarHBondContact O-N 3.2Å; K690-L692 PolarHBondContact O-N 3.36Å; L692-K696 PolarHBondContact O-N 3.24Å |
| 693 | K | 86.6 | Confident | 79.9 | Confident | 122 Ų | 122 | 103.4 Ų | 103.4 | 53% | 0.53 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 172 | -72.9 | 167.7 | -178.7 | 164.2 | 0 | 111.6 | E689 K690 K696 A697 | E689-K693 HydrophobicContact CG-CD 4.49Å; E689-K693 WeakPolarHBondContact O-CG 3.44Å; E689-K693 PolarHBondContact O-N 3.08Å; E689-K693 WeakPolarHBondContact OE1-CE 3.34Å; E689-K693 IonicContact OE1-NZ 2.84Å; E689-K693 PolarHBondContact OE1-NZ 3.08Å; K690-K693 CarbonylContact O-C 3.57Å; K690-K693 WeakPolarHBondContact O-CB 3.39Å; K690-K693 PolarHBondContact O-N 2.9Å; K693-K696 CarbonylContact O-C 3.56Å; K693-K696 WeakPolarHBondContact O-CA 3.29Å; K693-K696 WeakPolarHBondContact O-CB 3.36Å; K693-K696 PolarHBondContact O-N 3.47Å; K693-A697 PolarHBondContact O-N 3.07Å |
| 694 | E | 85.1 | Confident | 77.5 | Confident | 82 Ų | 82 | 104.2 Ų | 104.2 | 38% | 0.383 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 177.3 | -168 | -179 | 122.7 | 0 | 0 | 111.6 | K690 K696 A697 M698 | K690-E694 WeakPolarHBondContact O-CB 3.49Å; K690-E694 PolarHBondContact O-N 3.03Å; E694-K696 VanDerWaalsContact C-N 3.3Å; E694-K696 PolarHBondContact O-N 3.16Å; E694-A697 PolarHBondContact O-N 2.83Å; E694-A697 VanDerWaalsContact O-N 3.13Å; E694-M698 HydrophobicContact CG-CE 4.41Å; E694-M698 PolarHBondContact O-N 2.95Å |
| 695 | K | 83.4 | Confident | 75 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 170.9 | -74.2 | 164.9 | -168.4 | 165 | 0 | 112.3 | M691 M698 T699 | M691-K695 WeakPolarHBondContact O-CB 3.46Å; M691-K695 VanDerWaalsContact O-CD 3.22Å; M691-K695 WeakPolarHBondContact O-CD 3.27Å; M691-K695 WeakPolarHBondContact O-CG 3.3Å; M691-K695 PolarHBondContact O-N 2.95Å; M691-K695 VanDerWaalsContact O-N 3.13Å; K695-M698 HydrophobicContact CG-CE 4.37Å; K695-T699 WeakPolarHBondContact O-CB 3.46Å; K695-T699 PolarHBondContact O-N 3.36Å; K695-T699 VanDerWaalsContact O-N 3.14Å; K695-T699 PolarHBondContact O-OG1 2.86Å |
| 696 | K | 83.1 | Confident | 72 | Confident | 165 Ų | 165 | 110.4 Ų | 110.4 | 72% | 0.717 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66 | -41.5 | 171 | -88.2 | -172.6 | 170.7 | -172.3 | 0 | 112.5 | L692 K693 E694 T699 A700 | L692-K696 PolarHBondContact O-N 3.24Å; K693-K696 CarbonylContact O-C 3.56Å; K693-K696 WeakPolarHBondContact O-CA 3.29Å; K693-K696 WeakPolarHBondContact O-CB 3.36Å; K693-K696 PolarHBondContact O-N 3.47Å; E694-K696 VanDerWaalsContact C-N 3.3Å; E694-K696 PolarHBondContact O-N 3.16Å; K696-T699 WeakPolarHBondContact O-CB 3.38Å; K696-T699 PolarHBondContact O-N 3.2Å; K696-A700 PolarHBondContact O-N 3.39Å |
| 697 | A | 76 | Confident | 69.4 | Low | 41 Ų | 41 | 109.5 Ų | 109.5 | 34% | 0.339 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.8 | -50.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K693 E694 T699 A700 E701 | K693-A697 PolarHBondContact O-N 3.07Å; E694-A697 PolarHBondContact O-N 2.83Å; E694-A697 VanDerWaalsContact O-N 3.13Å; A697-T699 PolarHBondContact O-N 3.12Å; A697-A700 CarbonylContact O-C 3.5Å; A697-A700 WeakPolarHBondContact O-CA 3.49Å; A697-A700 WeakPolarHBondContact O-CB 3.13Å; A697-A700 PolarHBondContact O-N 3.5Å; A697-E701 PolarHBondContact O-N 3.06Å |
| 698 | M | 69.6 | Low | 66.5 | Low | 98 Ų | 98 | 111 Ų | 111 | 48% | 0.483 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.4 | -30.6 | 173.8 | -70.4 | -171.7 | -72.7 | 0 | 0 | 112.9 | E694 K695 A700 T702 | E694-M698 HydrophobicContact CG-CE 4.41Å; E694-M698 PolarHBondContact O-N 2.95Å; K695-M698 HydrophobicContact CG-CE 4.37Å; M698-A700 VanDerWaalsContact C-N 3.33Å; M698-T702 WeakPolarHBondContact O-CG2 3.29Å; M698-T702 PolarHBondContact O-N 2.83Å; M698-T702 PolarHBondContact O-OG1 3.03Å |
| 699 | T | 61.2 | Low | 63.6 | Low | 101 Ų | 101 | 111.6 Ų | 111.6 | 62% | 0.62 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.8 | -23.6 | 174.1 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | K695 K696 A697 T702 | K695-T699 WeakPolarHBondContact O-CB 3.46Å; K695-T699 PolarHBondContact O-N 3.36Å; K695-T699 VanDerWaalsContact O-N 3.14Å; K695-T699 PolarHBondContact O-OG1 2.86Å; K696-T699 WeakPolarHBondContact O-CB 3.38Å; K696-T699 PolarHBondContact O-N 3.2Å; A697-T699 PolarHBondContact O-N 3.12Å; T699-T702 WeakPolarHBondContact CA-OG1 3.47Å; T699-T702 PolarHBondContact O-OG1 3.18Å; T699-T702 VanDerWaalsContact O-OG1 3.12Å |
| 700 | A | 59 | Low | 61 | Low | 47 Ų | 47 | 111.5 Ų | 111.5 | 39% | 0.388 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -86.3 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K696 A697 M698 T702 S703 E704 | K696-A700 PolarHBondContact O-N 3.39Å; A697-A700 CarbonylContact O-C 3.5Å; A697-A700 WeakPolarHBondContact O-CA 3.49Å; A697-A700 WeakPolarHBondContact O-CB 3.13Å; A697-A700 PolarHBondContact O-N 3.5Å; M698-A700 VanDerWaalsContact C-N 3.33Å; A700-T702 VanDerWaalsContact C-N 3.27Å; A700-T702 PolarHBondContact O-N 2.87Å; A700-S703 WeakPolarHBondContact O-CA 3.27Å; A700-S703 WeakPolarHBondContact O-CB 3.48Å; A700-S703 PolarHBondContact O-N 3.14Å; A700-S703 PolarHBondContact O-OG 2.88Å; A700-E704 PolarHBondContact O-N 2.77Å |
| 701 | E | 53.5 | Low | 58.1 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 58% | 0.575 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.6 | -35.3 | 175.1 | -70.5 | 168.3 | -160.1 | 0 | 0 | 111.3 | A697 S703 E704 | A697-E701 PolarHBondContact O-N 3.06Å; E701-S703 PolarHBondContact O-N 3.22Å; E701-E704 PolarHBondContact O-N 3.03Å; E701-E704 VanDerWaalsContact O-N 3.16Å |
| 702 | T | 49.6 | Very low | 55.4 | Low | 116 Ų | 116 | 116.7 Ų | 116.7 | 71% | 0.712 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -0.3 | 169.3 | 51.7 | 0 | 0 | 0 | 0 | 115 | M698 T699 A700 | M698-T702 WeakPolarHBondContact O-CG2 3.29Å; M698-T702 PolarHBondContact O-N 2.83Å; M698-T702 PolarHBondContact O-OG1 3.03Å; T699-T702 WeakPolarHBondContact CA-OG1 3.47Å; T699-T702 PolarHBondContact O-OG1 3.18Å; T699-T702 VanDerWaalsContact O-OG1 3.12Å; A700-T702 VanDerWaalsContact C-N 3.27Å; A700-T702 PolarHBondContact O-N 2.87Å |
| 703 | S | 50.3 | Low | 53 | Low | 80 Ų | 80 | 118.2 Ų | 118.2 | 56% | 0.559 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -1.7 | 172 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | A700 E701 | A700-S703 WeakPolarHBondContact O-CA 3.27Å; A700-S703 WeakPolarHBondContact O-CB 3.48Å; A700-S703 PolarHBondContact O-N 3.14Å; A700-S703 PolarHBondContact O-OG 2.88Å; E701-S703 PolarHBondContact O-N 3.22Å |
| 704 | E | 42.9 | Very low | 50.5 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 63% | 0.631 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 2.7 | 178.8 | -64.3 | -167.5 | 157 | 0 | 0 | 114 | A700 E701 I707 | A700-E704 PolarHBondContact O-N 2.77Å; E701-E704 PolarHBondContact O-N 3.03Å; E701-E704 VanDerWaalsContact O-N 3.16Å; E704-I707 WeakPolarHBondContact O-CD1 3.36Å; E704-I707 WeakPolarHBondContact O-CG1 3.31Å |
| 705 | L | 42.9 | Very low | 47.7 | Very low | 171 Ų | 171 | 125.9 Ų | 125.9 | 90% | 0.895 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 5.4 | 176.5 | -75.7 | 176.6 | 0 | 0 | 0 | 114.9 | ||
| 706 | D | 32.3 | Very low | 45.3 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -131.8 | 67.2 | 179 | -158 | 10.3 | 0 | 0 | 0 | 110.6 | ||
| 707 | I | 41 | Very low | 42.7 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 61% | 0.605 | 69% | 0.693 | S | S | * | * | trans | -101.5 | 140.9 | -173.8 | -38.8 | -179.3 | 0 | 0 | 0 | 111 | E704 | E704-I707 WeakPolarHBondContact O-CD1 3.36Å; E704-I707 WeakPolarHBondContact O-CG1 3.31Å | ||
| 708 | N | 31.8 | Very low | 40.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | 91.9 | 72.6 | 165.9 | -49.7 | -69.8 | 0 | 0 | 0 | 118 | ||||
| 709 | S | 31.6 | Very low | 38.8 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | S | Bend | -118 | 115.8 | 129.2 | 71.3 | 0 | 0 | 0 | 0 | 108.2 | V711 | S709-V711 PolarHBondContact O-N 2.78Š| |
| 710 | A | 34.8 | Very low | 37.1 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -80.9 | 120.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 711 | V | 31.8 | Very low | 35.8 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | -136.4 | 116.9 | 120.4 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | S709 | S709-V711 PolarHBondContact O-N 2.78Š| |||
| 712 | E | 33 | Very low | 34.5 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -92.2 | 170.5 | 172.6 | -156.5 | -172.5 | 151.8 | 0 | 0 | 110.1 | ||||
| 713 | L | 32.5 | Very low | 33.5 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 70.8 | 141.3 | -176.6 | -70.5 | 81.5 | 0 | 0 | 0 | 115 | ||||
| 714 | E | 34 | Very low | 32.5 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 50% | 0.5 | 78% | 0.78 | S | S | . | * | cis | -155.4 | 113.9 | -10.9 | 173.5 | 170.2 | -144.2 | 0 | 0 | 109 | K717 | E714-K717 WeakPolarHBondContact OE1-CD 3.36Å; E714-K717 IonicContact OE1-NZ 3.33Å; E714-K717 PolarHBondContact OE1-NZ 3.07Å | ||
| 715 | W | 26.9 | Very low | 31.8 | Very low | 259 Ų | 259 | 149.7 Ų | 149.7 | 98% | 0.981 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -134.5 | 21.5 | 174.8 | -81 | 110.2 | 0 | 0 | 0 | 114.2 | ||
| 716 | R | 32.6 | Very low | 31.1 | Very low | 242 Ų | 242 | 146.9 Ų | 146.9 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -131.3 | 78.9 | 162.2 | -84.5 | -155.6 | -71.2 | -165.7 | -5.2 | 111.7 | ||||
| 717 | K | 29.7 | Very low | 30.8 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 67% | 0.665 | 78% | 0.776 | S | S | * | * | trans | -149.1 | 147.6 | 153.5 | -113.3 | 179.9 | -154.7 | 148.3 | 0 | 111.8 | E714 | E714-K717 WeakPolarHBondContact OE1-CD 3.36Å; E714-K717 IonicContact OE1-NZ 3.33Å; E714-K717 PolarHBondContact OE1-NZ 3.07Å | ||
| 718 | I | 31.1 | Very low | 30.1 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 67% | 0.667 | 79% | 0.787 | S | S | * | * | trans | 64.4 | 91.3 | 158.8 | -55.1 | 161.5 | 0 | 0 | 0 | 115.2 | D720 | I718-D720 HydrophobicContact CG2-CB 3.69Å; I718-D720 PolarHBondContact O-N 2.9Å | ||
| 719 | S | 32.7 | Very low | 30.1 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -82.9 | 84.5 | 146.7 | -66.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 720 | D | 25.7 | Very low | 29.7 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -137.1 | 120.9 | 164.9 | -80.7 | -60.2 | 0 | 0 | 0 | 109.6 | I718 S722 | I718-D720 HydrophobicContact CG2-CB 3.69Å; I718-D720 PolarHBondContact O-N 2.9Å; D720-S722 PolarHBondContact O-N 3.13Å | ||
| 721 | S | 31.9 | Very low | 29.3 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -100 | 84.2 | -173.7 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 722 | S | 25.6 | Very low | 29 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -145.6 | 128.5 | 165 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | D720 | D720-S722 PolarHBondContact O-N 3.13Š| ||
| 723 | L | 28.2 | Very low | 28.6 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | 61 | 92.1 | 146.2 | -151.3 | 171.5 | 0 | 0 | 0 | 117.2 | ||||
| 724 | L | 29.3 | Very low | 28.3 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | -167.5 | 84.6 | 124.1 | -104.4 | 174.1 | 0 | 0 | 0 | 112.5 | |||||
| 725 | E | 28.1 | Very low | 28 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -90.3 | 121.7 | 143.5 | 173.2 | 178.2 | -152.3 | 0 | 0 | 106.7 | ||||
| 726 | T | 29.3 | Very low | 27.8 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | 175.6 | 118.2 | 152.8 | -79.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 727 | M | 25.3 | Very low | 27.4 | Very low | 152 Ų | 152 | 135 Ų | 135 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 57 | 108.3 | 160.4 | -59.8 | -64.1 | 152.2 | 0 | 0 | 119.9 | ||||
| 728 | L | 25.5 | Very low | 27.2 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | -147.2 | 95.1 | 97.9 | -170 | 64.1 | 0 | 0 | 0 | 111.4 | |||||
| 729 | S | 31.8 | Very low | 27.1 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -108.5 | 83.6 | 172.2 | 56 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 730 | Q | 24.8 | Very low | 26.9 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -157.5 | 145.2 | 168.5 | -108.5 | 174.3 | -12.6 | 0 | 0 | 108.1 | ||||
| 731 | A | 25.2 | Very low | 27.1 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -142.9 | 169.2 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 732 | D | 25 | Very low | 26.9 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -67 | 152.2 | 179.6 | -50.8 | -97 | 0 | 0 | 0 | 114.2 | ||||
| 733 | S | 25 | Very low | 26.9 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -158.4 | 99 | 139.9 | -162.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 734 | L | 26.4 | Very low | 26.9 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | trans | 40.8 | 117 | 130.4 | -52.7 | -179.4 | 0 | 0 | 0 | 121.4 | ||||
| 735 | H | 27.2 | Very low | 26.9 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 73% | 0.731 | 77% | 0.765 | S | S | * | * | 78.6 | 130.8 | 123.1 | -78 | -47.7 | 0 | 0 | 0 | 124.9 | |||||
| 736 | T | 22.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | 98.5 | 148.4 | 128 | 50.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 737 | S | 25.6 | Very low | 26.7 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 75.2 | 97 | 163.3 | -58.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 738 | N | 25.5 | Very low | 26.7 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | 66.5 | 113.5 | 70.2 | -71.8 | -11.1 | 0 | 0 | 0 | 115.3 | |||||
| 739 | S | 29.3 | Very low | 26.9 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | -163.2 | 152.4 | 115.2 | -83.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 740 | N | 28 | Very low | 26.7 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -110.6 | 145.7 | -169 | -57.9 | -53.5 | 0 | 0 | 0 | 112.6 | ||||
| 741 | S | 28.9 | Very low | 26.8 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -165.6 | 105.2 | 148.2 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 742 | S | 28.6 | Very low | 26.8 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | 40.7 | 126.8 | 89.7 | 59.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 743 | G | 26.3 | Very low | 26.9 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | 171.4 | -167.3 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 744 | F | 26.9 | Very low | 27.1 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 71.6 | 99.2 | 167.6 | -81.7 | -94.7 | 0 | 0 | 0 | 121.3 | ||||
| 745 | T | 29 | Very low | 27.3 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | 48.6 | 120.5 | 125.9 | 61.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 746 | N | 27.7 | Very low | 27.5 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | 34 | 122.3 | 122.2 | -49.2 | -22.7 | 0 | 0 | 0 | 119.8 | |||||
| 747 | S | 25.4 | Very low | 27.9 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 176.5 | 145.2 | 95.9 | -162.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 748 | A | 25.4 | Very low | 28.3 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | 36.9 | 120.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 749 | L | 30.6 | Very low | 28.6 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | 59.9 | 123.2 | 128.3 | -60.5 | 170.3 | 0 | 0 | 0 | 120.9 | |||||
| 750 | Q | 27.4 | Very low | 29.1 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | -178 | 150 | 95.5 | -96 | -175.5 | 9 | 0 | 0 | 112.9 | |||||
| 751 | Y | 26.4 | Very low | 29.4 | Very low | 206 Ų | 206 | 133.6 Ų | 133.6 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | 60.9 | 150.2 | 165.3 | -64.6 | -58.3 | 0 | 0 | 0 | 118.3 | ||||
| 752 | S | 24.9 | Very low | 30 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -156.5 | 162.8 | -14.7 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 753 | F | 27.3 | Very low | 30.3 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | 5 | 115.5 | 163.1 | -83.4 | -107.1 | 0 | 0 | 0 | 120 | ||||
| 754 | V | 29.5 | Very low | 30.7 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | -142.3 | 134.7 | 129.1 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 755 | S | 31 | Very low | 30.9 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -90.3 | 116.2 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 756 | A | 30.1 | Very low | 31.3 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -91 | 101.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E758 | A756-E758 PolarHBondContact O-N 3.39Š| ||
| 757 | N | 32.6 | Very low | 31.5 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -75.5 | 116.5 | 170.1 | -72.6 | -54.2 | 0 | 0 | 0 | 109.6 | A759 | N757-A759 PolarHBondContact O-N 2.81Å; N757-A759 VanDerWaalsContact O-N 3.09Å | ||
| 758 | E | 34.3 | Very low | 31.9 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -62.8 | 107.8 | 161.2 | -76.9 | -175.2 | 119.7 | 0 | 0 | 109.4 | A756 | A756-E758 PolarHBondContact O-N 3.39Š| ||
| 759 | A | 31 | Very low | 32.2 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 124.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | N757 F761 | N757-A759 PolarHBondContact O-N 2.81Å; N757-A759 VanDerWaalsContact O-N 3.09Å; A759-F761 PolarHBondContact O-N 3.19Å |
| 760 | P | 40.7 | Very low | 32.5 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 132 | -175 | 26.7 | -33.9 | 0 | 0 | 0 | 111.7 | Y762 | P760-Y762 PolarHBondContact O-N 3.04Š|
| 761 | F | 34.2 | Very low | 32.8 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 77% | 0.772 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 121.3 | 168.3 | -177.7 | -91.1 | 0 | 0 | 0 | 111.6 | A759 | A759-F761 PolarHBondContact O-N 3.19Š|
| 762 | Y | 39.9 | Very low | 33 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -174.4 | 149.5 | 138.1 | -91.3 | -54.8 | 0 | 0 | 0 | 112.8 | P760 | P760-Y762 PolarHBondContact O-N 3.04Š| ||
| 763 | L | 35.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 142 Ų | 142 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | 87.3 | 126.4 | 155.4 | -116.8 | 72.8 | 0 | 0 | 0 | 120.5 | ||||
| 764 | W | 35.1 | Very low | 33.8 | Very low | 239 Ų | 239 | 140.3 Ų | 140.3 | 91% | 0.905 | 81% | 0.808 | S | S | * | * | trans | 67.4 | 139.4 | 172.8 | -61.4 | 73.7 | 0 | 0 | 0 | 117.8 | ||||
| 765 | G | 31 | Very low | 34.3 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | cis | 147.8 | 82.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 766 | S | 36.4 | Very low | 34.3 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | 2.6 | 132.8 | 173.3 | -54.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 767 | S | 32.4 | Very low | 34.5 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 92% | 0.923 | 82% | 0.817 | S | S | * | * | trans | -125.8 | 114.7 | 137.6 | -74.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 768 | T | 34.7 | Very low | 34.8 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | trans | -103.4 | 119.2 | 175.4 | 43.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 769 | S | 30.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 141 Ų | 141 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -133.9 | 122.1 | 160.9 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 770 | G | 38 | Very low | 35.6 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -93.6 | 120 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 771 | L | 31.8 | Very low | 35.2 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -136.3 | 151 | 155.4 | -167.8 | 56.8 | 0 | 0 | 0 | 109.1 | ||||
| 772 | T | 32.3 | Very low | 36 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -65.3 | 134 | -161.4 | 39.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 773 | K | 34.2 | Very low | 35.8 | Very low | 211 Ų | 211 | 139.6 Ų | 139.6 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -84.7 | 106 | 161.5 | -78.3 | -177.4 | 178.3 | 174.5 | 0 | 109.4 | ||||
| 774 | L | 33.7 | Very low | 36.3 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -92.7 | 144.6 | 145.6 | -74.4 | 174.1 | 0 | 0 | 0 | 109.1 | ||||
| 775 | S | 39.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -80.4 | 120.7 | -170.3 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 776 | V | 30.8 | Very low | 37.6 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -129.2 | 142.9 | 163.8 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 777 | T | 34.6 | Very low | 38.1 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 143.8 | -166.7 | -45.4 | 0 | 0 | 0 | 0 | 114 | P779 | T777-P779 WeakPolarHBondContact O-CD 3.38Š|
| 778 | R | 38.9 | Very low | 39.2 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -78 | 125.8 | 178.6 | 177.8 | -170 | -164.4 | 166.6 | 6.6 | 112.8 | F780 | R778-F780 HydrophobicContact CG-CD2 4.35Å; R778-F780 VanDerWaalsContact NH2-CE1 3.29Å |
| 779 | P | 40.9 | Very low | 40.4 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 137.4 | 147.8 | 32.8 | -30.1 | 0 | 0 | 0 | 110.6 | T777 G781 | T777-P779 WeakPolarHBondContact O-CD 3.38Å; P779-G781 VanDerWaalsContact C-N 3.29Å; P779-G781 PolarHBondContact O-N 3.13Å |
| 780 | F | 41.3 | Very low | 41.3 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -77.1 | 75.4 | 173.6 | -92.1 | -97.3 | 0 | 0 | 0 | 111.3 | R778 | R778-F780 HydrophobicContact CG-CD2 4.35Å; R778-F780 VanDerWaalsContact NH2-CE1 3.29Å | ||
| 781 | G | 32.6 | Very low | 42.4 | Very low | 63 Ų | 63 | 143.1 Ų | 143.1 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | -86.8 | 122.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P779 A783 | P779-G781 VanDerWaalsContact C-N 3.29Å; P779-G781 PolarHBondContact O-N 3.13Å; G781-A783 VanDerWaalsContact C-N 3.33Å; G781-A783 PolarHBondContact O-N 3.04Å | ||
| 782 | R | 52.2 | Low | 44.7 | Very low | 237 Ų | 237 | 137.6 Ų | 137.6 | 89% | 0.894 | 72% | 0.718 | S | S | * | * | trans | -74.5 | 80.7 | 180 | -167.2 | -165.1 | -54.6 | -127 | 4.2 | 111.4 | K784 | R782-K784 VanDerWaalsContact C-N 3.28Å; R782-K784 PolarHBondContact O-N 2.79Å | ||
| 783 | A | 35.7 | Very low | 47.2 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | trans | -66 | 79.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G781 T785 | G781-A783 VanDerWaalsContact C-N 3.33Å; G781-A783 PolarHBondContact O-N 3.04Å; A783-T785 PolarHBondContact O-N 3.06Å | ||
| 784 | K | 44.8 | Very low | 49.8 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 78% | 0.783 | 70% | 0.698 | S | S | * | * | trans | -58.4 | 106.9 | 153.2 | -84.5 | -175.4 | 173.8 | 179.4 | 0 | 106.8 | R782 R786 | R782-K784 VanDerWaalsContact C-N 3.28Å; R782-K784 PolarHBondContact O-N 2.79Å; K784-R786 PolarHBondContact O-N 2.87Å | ||
| 785 | T | 48.1 | Very low | 52.4 | Low | 108 Ų | 108 | 128.5 Ų | 128.5 | 66% | 0.663 | 68% | 0.678 | S | S | * | * | trans | -60.8 | 103.2 | 168.9 | 36 | 0 | 0 | 0 | 0 | 108.5 | A783 W787 | A783-T785 PolarHBondContact O-N 3.06Å; T785-W787 PolarHBondContact O-N 3.22Å | ||
| 786 | R | 46.4 | Very low | 54.8 | Low | 170 Ų | 170 | 126 Ų | 126 | 64% | 0.642 | 65% | 0.652 | S | S | * | * | trans | -73.1 | 67.5 | 177.9 | -91.8 | -163.3 | 169.6 | -147.2 | -1.6 | 110.7 | K784 S788 Q789 | K784-R786 PolarHBondContact O-N 2.87Å; R786-S788 PolarHBondContact O-N 3Å; R786-Q789 HydrophobicContact CB-CB 4.28Å; R786-Q789 PolarHBondContact O-N 3.23Å | ||
| 787 | W | 47.3 | Very low | 57.6 | Low | 202 Ų | 202 | 121.9 Ų | 121.9 | 77% | 0.765 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -17.2 | 159 | -68.3 | 100.8 | 0 | 0 | 0 | 112 | T785 Q789 F791 | T785-W787 PolarHBondContact O-N 3.22Å; W787-Q789 VanDerWaalsContact C-N 3.34Å; W787-Q789 PolarHBondContact O-N 3.49Å; W787-F791 WeakPolarHBondContact O-CD2 3.48Å; W787-F791 VanDerWaalsContact O-CE2 3.24Å; W787-F791 WeakPolarHBondContact O-CE2 3.38Å |
| 788 | S | 54.4 | Low | 60.4 | Low | 96 Ų | 96 | 121.1 Ų | 121.1 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 19.6 | 176.9 | 66.3 | 0 | 0 | 0 | 0 | 115.5 | R786 | R786-S788 PolarHBondContact O-N 3Š|
| 789 | Q | 59.3 | Low | 63 | Low | 123 Ų | 123 | 117.2 Ų | 117.2 | 58% | 0.575 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -128.6 | -16.1 | -176.7 | -168.1 | 155.5 | -6.6 | 0 | 0 | 117.1 | R786 W787 | R786-Q789 HydrophobicContact CB-CB 4.28Å; R786-Q789 PolarHBondContact O-N 3.23Å; W787-Q789 VanDerWaalsContact C-N 3.34Å; W787-Q789 PolarHBondContact O-N 3.49Å |
| 790 | V | 51.5 | Low | 65.6 | Low | 130 Ų | 130 | 116.1 Ų | 116.1 | 79% | 0.788 | 60% | 0.596 | S | S | * | * | trans | -134 | 44.3 | 175.7 | -155.1 | 0 | 0 | 0 | 0 | 112.7 | S792 | V790-S792 PolarHBondContact O-N 3.01Š| ||
| 791 | F | 60.3 | Low | 68.2 | Low | 86 Ų | 86 | 115.5 Ų | 115.5 | 38% | 0.377 | 59% | 0.593 | S | S | . | * | trans | -79.5 | 106.5 | 151.4 | -74.8 | -68.9 | 0 | 0 | 0 | 108 | W787 I795 Q796 | W787-F791 WeakPolarHBondContact O-CD2 3.48Å; W787-F791 VanDerWaalsContact O-CE2 3.24Å; W787-F791 WeakPolarHBondContact O-CE2 3.38Å; F791-I795 HydrophobicContact CD1-CB 4.24Å; F791-I795 HydrophobicContact CD1-CG2 3.74Å; F791-I795 HydrophobicContact CE1-CG2 4.14Å; F791-Q796 HydrophobicContact CB-CB 4.17Å | ||
| 792 | S | 79.4 | Confident | 71.2 | Confident | 48 Ų | 48 | 118 Ų | 118 | 34% | 0.336 | 59% | 0.59 | S | S | . | * | trans | -49.8 | 141.9 | 157.8 | 151.6 | 0 | 0 | 0 | 0 | 108.4 | V790 E794 I795 Q796 | V790-S792 PolarHBondContact O-N 3.01Å; S792-E794 PolarHBondContact O-N 3.25Å; S792-E794 PolarHBondContact OG-N 2.89Å; S792-I795 WeakPolarHBondContact O-CA 3.38Å; S792-I795 PolarHBondContact O-N 2.63Å; S792-Q796 PolarHBondContact O-N 3.29Å | ||
| 793 | P | 85.9 | Confident | 73.2 | Confident | 112 Ų | 112 | 108.4 Ų | 108.4 | 73% | 0.727 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -55.8 | -28.7 | -179.4 | 22.7 | -33.7 | 0 | 0 | 0 | 112.2 | A797 | P793-A797 WeakPolarHBondContact O-CB 3.4Å; P793-A797 PolarHBondContact O-N 2.89Å |
| 794 | E | 87.4 | Confident | 76.1 | Confident | 111 Ų | 111 | 107.1 Ų | 107.1 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 173.9 | -159.7 | -153 | 150.5 | 0 | 0 | 112.7 | S792 A797 K798 | S792-E794 PolarHBondContact O-N 3.25Å; S792-E794 PolarHBondContact OG-N 2.89Å; E794-A797 PolarHBondContact O-N 3.37Å; E794-K798 WeakPolarHBondContact O-CB 3.3Å; E794-K798 WeakPolarHBondContact O-CG 3.41Å; E794-K798 PolarHBondContact O-N 2.83Å; E794-K798 WeakPolarHBondContact OE1-CE 3.14Å; E794-K798 IonicContact OE1-NZ 2.79Å; E794-K798 PolarHBondContact OE1-NZ 3.17Å |
| 795 | I | 88.8 | Confident | 78.6 | Confident | 82 Ų | 82 | 103 Ų | 103 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.3 | -38.8 | 175.8 | -53.5 | 175.2 | 0 | 0 | 0 | 109.8 | F791 S792 A797 K798 F799 | F791-I795 HydrophobicContact CD1-CB 4.24Å; F791-I795 HydrophobicContact CD1-CG2 3.74Å; F791-I795 HydrophobicContact CE1-CG2 4.14Å; S792-I795 WeakPolarHBondContact O-CA 3.38Å; S792-I795 PolarHBondContact O-N 2.63Å; I795-A797 VanDerWaalsContact C-N 3.34Å; I795-A797 PolarHBondContact O-N 3.48Å; I795-K798 PolarHBondContact O-N 2.74Å; I795-F799 WeakPolarHBondContact O-CB 3.4Å; I795-F799 PolarHBondContact O-N 3.28Å |
| 796 | Q | 90.2 | Very high | 80.8 | Confident | 66 Ų | 66 | 100 Ų | 100 | 31% | 0.308 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 172.3 | -170 | 62.9 | 57.8 | 0 | 0 | 111.3 | F791 S792 F799 N800 | F791-Q796 HydrophobicContact CB-CB 4.17Å; S792-Q796 PolarHBondContact O-N 3.29Å; Q796-F799 PolarHBondContact O-N 3.05Å; Q796-N800 PolarHBondContact NE2-OD1 3.44Å; Q796-N800 VanDerWaalsContact O-CB 3.23Å; Q796-N800 WeakPolarHBondContact O-CB 3.5Å; Q796-N800 PolarHBondContact O-N 3.07Å; Q796-N800 PolarHBondContact O-ND2 3.35Å; Q796-N800 PolarHBondContact O-OD1 3.2Å |
| 797 | A | 90.8 | Very high | 83.1 | Confident | 56 Ų | 56 | 98.6 Ų | 98.6 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | P793 E794 I795 N800 K801 | P793-A797 WeakPolarHBondContact O-CB 3.4Å; P793-A797 PolarHBondContact O-N 2.89Å; E794-A797 PolarHBondContact O-N 3.37Å; I795-A797 VanDerWaalsContact C-N 3.34Å; I795-A797 PolarHBondContact O-N 3.48Å; A797-N800 PolarHBondContact O-N 3.17Å; A797-K801 WeakPolarHBondContact O-CB 3.36Å; A797-K801 PolarHBondContact O-N 3.45Å |
| 798 | K | 93.2 | Very high | 85.4 | Confident | 114 Ų | 114 | 89.9 Ų | 89.9 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 173.5 | -75.2 | 164.8 | 167.5 | 172.4 | 0 | 111.5 | E794 I795 K801 I802 | E794-K798 WeakPolarHBondContact O-CB 3.3Å; E794-K798 WeakPolarHBondContact O-CG 3.41Å; E794-K798 PolarHBondContact O-N 2.83Å; E794-K798 WeakPolarHBondContact OE1-CE 3.14Å; E794-K798 IonicContact OE1-NZ 2.79Å; E794-K798 PolarHBondContact OE1-NZ 3.17Å; I795-K798 PolarHBondContact O-N 2.74Å; K798-K801 WeakPolarHBondContact O-CB 3.49Å; K798-K801 PolarHBondContact O-N 2.88Å; K798-I802 WeakPolarHBondContact O-CG1 3.22Å; K798-I802 PolarHBondContact O-N 2.88Å |
| 799 | F | 93.4 | Very high | 87.3 | Confident | 103 Ų | 103 | 90 Ų | 90 | 45% | 0.452 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.3 | -176.7 | -96.1 | 0 | 0 | 0 | 112.7 | I795 Q796 K801 I802 T803 | I795-F799 WeakPolarHBondContact O-CB 3.4Å; I795-F799 PolarHBondContact O-N 3.28Å; Q796-F799 PolarHBondContact O-N 3.05Å; F799-K801 VanDerWaalsContact C-N 3.33Å; F799-K801 PolarHBondContact O-N 3.35Å; F799-I802 PolarHBondContact O-N 3.09Å; F799-T803 WeakPolarHBondContact CE1-OG1 3.44Å; F799-T803 VanDerWaalsContact O-CB 3.24Å; F799-T803 WeakPolarHBondContact O-CB 3.38Å; F799-T803 PolarHBondContact O-N 2.82Å; F799-T803 PolarHBondContact O-OG1 2.85Å |
| 800 | N | 94.1 | Very high | 89 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.2 | -73.7 | -9.2 | 0 | 0 | 0 | 110.9 | Q796 A797 T803 A804 | Q796-N800 PolarHBondContact NE2-OD1 3.44Å; Q796-N800 VanDerWaalsContact O-CB 3.23Å; Q796-N800 WeakPolarHBondContact O-CB 3.5Å; Q796-N800 PolarHBondContact O-N 3.07Å; Q796-N800 PolarHBondContact O-ND2 3.35Å; Q796-N800 PolarHBondContact O-OD1 3.2Å; A797-N800 PolarHBondContact O-N 3.17Å; N800-T803 PolarHBondContact O-N 3.11Å; N800-A804 VanDerWaalsContact O-CB 3.25Å; N800-A804 WeakPolarHBondContact O-CB 3.27Å; N800-A804 PolarHBondContact O-N 2.93Å |
| 801 | K | 95.8 | Very high | 91.1 | Very high | 160 Ų | 160 | 83.8 Ų | 83.8 | 70% | 0.696 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.1 | -48 | 176.2 | -173.3 | 176.5 | -178.2 | 178 | 0 | 111.7 | A797 K798 F799 A804 V805 | A797-K801 WeakPolarHBondContact O-CB 3.36Å; A797-K801 PolarHBondContact O-N 3.45Å; K798-K801 WeakPolarHBondContact O-CB 3.49Å; K798-K801 PolarHBondContact O-N 2.88Å; F799-K801 VanDerWaalsContact C-N 3.33Å; F799-K801 PolarHBondContact O-N 3.35Å; K801-A804 PolarHBondContact O-N 3.45Å; K801-V805 WeakPolarHBondContact O-CG2 3.3Å; K801-V805 PolarHBondContact O-N 3.4Å |
| 802 | I | 96.3 | Very high | 92.8 | Very high | 116 Ų | 116 | 86.7 Ų | 86.7 | 60% | 0.595 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.6 | -47.4 | 175.7 | -67.3 | 164.8 | 0 | 0 | 0 | 110.5 | K798 F799 A804 V805 A806 | K798-I802 WeakPolarHBondContact O-CG1 3.22Å; K798-I802 PolarHBondContact O-N 2.88Å; F799-I802 PolarHBondContact O-N 3.09Å; I802-A804 VanDerWaalsContact C-N 3.35Å; I802-A804 PolarHBondContact O-N 3.17Å; I802-V805 PolarHBondContact O-N 2.99Å; I802-A806 WeakPolarHBondContact O-CB 3.38Å; I802-A806 PolarHBondContact O-N 3.31Å |
| 803 | T | 95 | Very high | 93.5 | Very high | 35 Ų | 35 | 89.6 Ų | 89.6 | 22% | 0.215 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 179 | -63 | 0 | 0 | 0 | 0 | 112.1 | F799 N800 A806 K807 | F799-T803 WeakPolarHBondContact CE1-OG1 3.44Å; F799-T803 VanDerWaalsContact O-CB 3.24Å; F799-T803 WeakPolarHBondContact O-CB 3.38Å; F799-T803 PolarHBondContact O-N 2.82Å; F799-T803 PolarHBondContact O-OG1 2.85Å; N800-T803 PolarHBondContact O-N 3.11Å; T803-A806 PolarHBondContact O-N 2.79Å; T803-K807 HydrophobicContact CG2-CD 3.92Å; T803-K807 HydrophobicContact CG2-CG 4.32Å; T803-K807 VanDerWaalsContact O-CB 3.29Å; T803-K807 WeakPolarHBondContact O-CB 3.36Å; T803-K807 VanDerWaalsContact O-CG 3.28Å; T803-K807 WeakPolarHBondContact O-CG 3.48Å; T803-K807 PolarHBondContact O-N 3.16Å |
| 804 | A | 96.1 | Very high | 93.9 | Very high | 62 Ų | 62 | 84.5 Ų | 84.5 | 51% | 0.512 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | N800 K801 I802 G808 | N800-A804 VanDerWaalsContact O-CB 3.25Å; N800-A804 WeakPolarHBondContact O-CB 3.27Å; N800-A804 PolarHBondContact O-N 2.93Å; K801-A804 PolarHBondContact O-N 3.45Å; I802-A804 VanDerWaalsContact C-N 3.35Å; I802-A804 PolarHBondContact O-N 3.17Å; A804-G808 WeakPolarHBondContact O-CA 3.48Å; A804-G808 PolarHBondContact O-N 2.84Å |
| 805 | V | 96.8 | Very high | 94.2 | Very high | 94 Ų | 94 | 83.2 Ų | 83.2 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | K801 I802 G808 F809 | K801-V805 WeakPolarHBondContact O-CG2 3.3Å; K801-V805 PolarHBondContact O-N 3.4Å; I802-V805 PolarHBondContact O-N 2.99Å; V805-G808 PolarHBondContact O-N 3.44Å; V805-F809 WeakPolarHBondContact O-CB 3.4Å; V805-F809 PolarHBondContact O-N 2.85Å |
| 806 | A | 95.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 83.8 Ų | 83.8 | 38% | 0.38 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.3 | -52.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I802 T803 G808 F809 L810 | I802-A806 WeakPolarHBondContact O-CB 3.38Å; I802-A806 PolarHBondContact O-N 3.31Å; T803-A806 PolarHBondContact O-N 2.79Å; A806-G808 VanDerWaalsContact C-N 3.33Å; A806-G808 PolarHBondContact O-N 2.69Å; A806-F809 PolarHBondContact O-N 3.27Å; A806-L810 WeakPolarHBondContact O-CG 2.98Å; A806-L810 PolarHBondContact O-N 3.16Å |
| 807 | K | 93.6 | Very high | 94.6 | Very high | 139 Ų | 139 | 80.8 Ų | 80.8 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.6 | -45.4 | 174.7 | -73.9 | 178.1 | 179.6 | 179 | 0 | 111.2 | T803 F809 L810 T811 | T803-K807 HydrophobicContact CG2-CD 3.92Å; T803-K807 HydrophobicContact CG2-CG 4.32Å; T803-K807 VanDerWaalsContact O-CB 3.29Å; T803-K807 WeakPolarHBondContact O-CB 3.36Å; T803-K807 VanDerWaalsContact O-CG 3.28Å; T803-K807 WeakPolarHBondContact O-CG 3.48Å; T803-K807 PolarHBondContact O-N 3.16Å; K807-F809 PolarHBondContact O-N 2.99Å; K807-L810 PolarHBondContact O-N 2.83Å; K807-T811 WeakPolarHBondContact O-CB 3.42Å; K807-T811 PolarHBondContact O-N 3.3Å; K807-T811 PolarHBondContact O-OG1 2.79Å |
| 808 | G | 95.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 80.6 Ų | 80.6 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A804 V805 A806 R812 | A804-G808 WeakPolarHBondContact O-CA 3.48Å; A804-G808 PolarHBondContact O-N 2.84Å; V805-G808 PolarHBondContact O-N 3.44Å; A806-G808 VanDerWaalsContact C-N 3.33Å; A806-G808 PolarHBondContact O-N 2.69Å; G808-R812 VanDerWaalsContact C-CZ 3.44Å; G808-R812 WeakPolarHBondContact O-CB 3.22Å; G808-R812 VanDerWaalsContact O-CG 3.29Å; G808-R812 WeakPolarHBondContact O-CG 3.33Å; G808-R812 VanDerWaalsContact O-CZ 3.26Å; G808-R812 PolarHBondContact O-N 2.92Å; G808-R812 PolarHBondContact O-NE 2.65Å; G808-R812 PolarHBondContact O-NH1 2.87Å |
| 809 | F | 95.6 | Very high | 94.6 | Very high | 99 Ų | 99 | 79.9 Ų | 79.9 | 43% | 0.434 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 173.4 | 175 | -95.1 | 0 | 0 | 0 | 111.5 | V805 A806 K807 R812 R813 | V805-F809 WeakPolarHBondContact O-CB 3.4Å; V805-F809 PolarHBondContact O-N 2.85Å; A806-F809 PolarHBondContact O-N 3.27Å; K807-F809 PolarHBondContact O-N 2.99Å; F809-R812 PolarHBondContact O-N 3.31Å; F809-R813 HydrophobicContact CD1-CG 4.2Å; F809-R813 HydrophobicContact CE1-CG 3.83Å; F809-R813 HydrophobicContact CE2-CG 4.23Å; F809-R813 HydrophobicContact CZ-CG 3.86Å; F809-R813 WeakPolarHBondContact O-CG 3.3Å; F809-R813 PolarHBondContact O-N 2.87Å |
| 810 | L | 95.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 75.2 Ų | 75.2 | 29% | 0.293 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 178.6 | -67.3 | 172.2 | 0 | 0 | 0 | 111.6 | A806 K807 R813 L814 M883 L886 | A806-L810 WeakPolarHBondContact O-CG 2.98Å; A806-L810 PolarHBondContact O-N 3.16Å; K807-L810 PolarHBondContact O-N 2.83Å; L810-R813 CarbonylContact O-C 3.55Å; L810-R813 PolarHBondContact O-N 3.4Å; L810-L814 WeakPolarHBondContact O-CB 3.27Å; L810-L814 PolarHBondContact O-N 2.87Å; L810-M883 HydrophobicContact CD1-CE 4.08Å; L810-M883 HydrophobicContact CD1-SD 4.45Å; L810-M883 HydrophobicContact CD2-CE 4.18Å; L810-M883 HydrophobicContact CD2-SD 4.13Å; L810-L886 HydrophobicContact CD2-CD1 3.75Å |
| 811 | T | 94.4 | Very high | 94.6 | Very high | 66 Ų | 66 | 75.8 Ų | 75.8 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 172.6 | -69.4 | 0 | 0 | 0 | 0 | 112 | K807 R813 L814 M815 F874 | K807-T811 WeakPolarHBondContact O-CB 3.42Å; K807-T811 PolarHBondContact O-N 3.3Å; K807-T811 PolarHBondContact O-OG1 2.79Å; T811-R813 VanDerWaalsContact C-N 3.31Å; T811-R813 PolarHBondContact O-N 3.19Å; T811-L814 PolarHBondContact O-N 2.98Å; T811-M815 WeakPolarHBondContact O-CB 3.46Å; T811-M815 WeakPolarHBondContact O-CG 3.47Å; T811-M815 PolarHBondContact O-N 3.48Å; T811-F874 HydrophobicContact CG2-CE1 3.89Å |
| 812 | R | 95.1 | Very high | 94.6 | Very high | 147 Ų | 147 | 74.5 Ų | 74.5 | 56% | 0.555 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.9 | -33.4 | 174.7 | -75.9 | -176.5 | -65.1 | -92.1 | 3.7 | 112.7 | G808 F809 Q816 | G808-R812 VanDerWaalsContact C-CZ 3.44Å; G808-R812 WeakPolarHBondContact O-CB 3.22Å; G808-R812 VanDerWaalsContact O-CG 3.29Å; G808-R812 WeakPolarHBondContact O-CG 3.33Å; G808-R812 VanDerWaalsContact O-CZ 3.26Å; G808-R812 PolarHBondContact O-N 2.92Å; G808-R812 PolarHBondContact O-NE 2.65Å; G808-R812 PolarHBondContact O-NH1 2.87Å; F809-R812 PolarHBondContact O-N 3.31Å; R812-Q816 VanDerWaalsContact O-CG 3.25Å; R812-Q816 WeakPolarHBondContact O-CG 3.34Å; R812-Q816 PolarHBondContact O-N 3.45Å |
| 813 | R | 94.3 | Very high | 94.6 | Very high | 109 Ų | 109 | 70.6 Ų | 70.6 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.3 | -38.3 | 173.1 | -70.3 | -55.6 | -167.7 | 179.5 | 6.6 | 112.3 | F809 L810 T811 Q816 T817 L886 | F809-R813 HydrophobicContact CD1-CG 4.2Å; F809-R813 HydrophobicContact CE1-CG 3.83Å; F809-R813 HydrophobicContact CE2-CG 4.23Å; F809-R813 HydrophobicContact CZ-CG 3.86Å; F809-R813 WeakPolarHBondContact O-CG 3.3Å; F809-R813 PolarHBondContact O-N 2.87Å; L810-R813 CarbonylContact O-C 3.55Å; L810-R813 PolarHBondContact O-N 3.4Å; T811-R813 VanDerWaalsContact C-N 3.31Å; T811-R813 PolarHBondContact O-N 3.19Å; R813-Q816 CarbonylContact O-C 3.56Å; R813-Q816 WeakPolarHBondContact O-CA 3.39Å; R813-Q816 WeakPolarHBondContact O-CB 3.31Å; R813-Q816 PolarHBondContact O-N 3.06Å; R813-T817 WeakPolarHBondContact O-CG2 3.39Å; R813-T817 PolarHBondContact O-N 3.39Å; R813-L886 HydrophobicContact CB-CD2 3.79Å |
| 814 | L | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 76.6 Ų | 76.6 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65 | -44.2 | 178.3 | -164.2 | 54.9 | 0 | 0 | 0 | 110.4 | L810 T811 Q816 T817 L820 I873 F874 R882 I885 L886 | L810-L814 WeakPolarHBondContact O-CB 3.27Å; L810-L814 PolarHBondContact O-N 2.87Å; T811-L814 PolarHBondContact O-N 2.98Å; L814-Q816 PolarHBondContact O-N 3.3Å; L814-T817 HydrophobicContact CD1-CG2 4.4Å; L814-T817 WeakPolarHBondContact O-CB 3.43Å; L814-T817 PolarHBondContact O-N 3.23Å; L814-T817 PolarHBondContact O-OG1 2.95Å; L814-L820 HydrophobicContact CD1-CD1 4.18Å; L814-L820 HydrophobicContact CG-CD1 4.21Å; L814-L820 HydrophobicContact CG-CD2 4.28Å; L814-I873 HydrophobicContact CD1-CG2 4.12Å; L814-I873 HydrophobicContact CD2-CG2 3.8Å; L814-I873 HydrophobicContact CG-CG2 4.03Å; L814-F874 HydrophobicContact CB-CE1 4.37Å; L814-F874 HydrophobicContact CB-CZ 4.41Å; L814-F874 HydrophobicContact CD2-CD1 4.3Å; L814-F874 HydrophobicContact CD2-CE1 3.79Å; L814-F874 HydrophobicContact CD2-CZ 4.2Å; L814-F874 HydrophobicContact CG-CE1 4.32Å; L814-F874 HydrophobicContact CG-CZ 4.29Å; L814-R882 HydrophobicContact CD2-CB 4.36Å; L814-R882 HydrophobicContact CD2-CG 3.97Å; L814-I885 HydrophobicContact CD1-CB 4.17Å; L814-I885 HydrophobicContact CD1-CD1 4.41Å; L814-I885 HydrophobicContact CD1-CG2 3.96Å; L814-L886 HydrophobicContact CB-CD2 4.38Å; L814-L886 HydrophobicContact CD1-CD2 4.27Å; L814-L886 HydrophobicContact CD1-CG 4.35Å |
| 815 | M | 93.7 | Very high | 94.6 | Very high | 84 Ų | 84 | 77.7 Ų | 77.7 | 41% | 0.414 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.7 | 166.9 | -81.9 | -80.5 | 127 | 0 | 0 | 114.6 | T811 L820 F874 | T811-M815 WeakPolarHBondContact O-CB 3.46Å; T811-M815 WeakPolarHBondContact O-CG 3.47Å; T811-M815 PolarHBondContact O-N 3.48Å; M815-L820 HydrophobicContact CE-CD2 3.97Å; M815-F874 HydrophobicContact CE-CE2 3.39Å; M815-F874 HydrophobicContact CE-CZ 3.54Å; M815-F874 HydrophobicContact CG-CZ 4.29Å |
| 816 | Q | 93.6 | Very high | 94.6 | Very high | 94 Ų | 94 | 75.1 Ų | 75.1 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5.4 | 178.6 | -75.6 | 172.3 | 2.3 | 0 | 0 | 113.6 | R812 R813 L814 K821 | R812-Q816 VanDerWaalsContact O-CG 3.25Å; R812-Q816 WeakPolarHBondContact O-CG 3.34Å; R812-Q816 PolarHBondContact O-N 3.45Å; R813-Q816 CarbonylContact O-C 3.56Å; R813-Q816 WeakPolarHBondContact O-CA 3.39Å; R813-Q816 WeakPolarHBondContact O-CB 3.31Å; R813-Q816 PolarHBondContact O-N 3.06Å; L814-Q816 PolarHBondContact O-N 3.3Å; Q816-K821 WeakPolarHBondContact O-CE 3.26Å; Q816-K821 PolarHBondContact O-NZ 3.48Å |
| 817 | T | 94.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -72.8 | 149.3 | 180 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | R813 L814 K819 L820 K821 I885 L886 D889 | R813-T817 WeakPolarHBondContact O-CG2 3.39Å; R813-T817 PolarHBondContact O-N 3.39Å; L814-T817 HydrophobicContact CD1-CG2 4.4Å; L814-T817 WeakPolarHBondContact O-CB 3.43Å; L814-T817 PolarHBondContact O-N 3.23Å; L814-T817 PolarHBondContact O-OG1 2.95Å; T817-K819 PolarHBondContact O-N 2.84Å; T817-L820 PolarHBondContact O-N 3.07Å; T817-L820 VanDerWaalsContact O-N 3.17Å; T817-L820 VanDerWaalsContact OG1-CD1 3.26Å; T817-L820 WeakPolarHBondContact OG1-CD1 3.32Å; T817-K821 WeakPolarHBondContact O-CG 3.43Å; T817-K821 PolarHBondContact O-N 3.43Å; T817-I885 HydrophobicContact CG2-CG2 4.03Å; T817-L886 HydrophobicContact CG2-CD2 3.81Å; T817-D889 WeakPolarHBondContact CA-OD1 3.3Å; T817-D889 HydrophobicContact CG2-CB 3.84Å |
| 818 | D | 91.1 | Very high | 94.9 | Very high | 52 Ų | 52 | 71.7 Ų | 71.7 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.1 | -31.2 | -179.2 | -70.2 | -11.1 | 0 | 0 | 0 | 112.4 | K821 Q822 K896 | D818-K821 WeakPolarHBondContact OD1-CD 3.46Å; D818-K821 IonicContact OD1-NZ 2.69Å; D818-K821 PolarHBondContact OD1-NZ 2.67Å; D818-Q822 WeakPolarHBondContact O-CB 3.5Å; D818-Q822 WeakPolarHBondContact O-CG 3.33Å; D818-Q822 PolarHBondContact O-N 3.18Å; D818-K896 IonicContact OD2-NZ 3.16Å; D818-K896 PolarHBondContact OD2-NZ 2.76Å |
| 819 | K | 91.1 | Very high | 94.9 | Very high | 100 Ų | 100 | 74.4 Ų | 74.4 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 172.6 | -173.7 | -175.8 | -177.8 | -166.9 | 0 | 112.2 | T817 L823 I873 I885 | T817-K819 PolarHBondContact O-N 2.84Å; K819-L823 WeakPolarHBondContact O-CB 3.32Å; K819-L823 PolarHBondContact O-N 2.86Å; K819-L823 VanDerWaalsContact O-N 3.12Å; K819-I873 HydrophobicContact CD-CD1 3.83Å; K819-I873 HydrophobicContact CG-CD1 4.35Å; K819-I885 HydrophobicContact CD-CD1 4.31Å |
| 820 | L | 94.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -78.7 | -28.9 | -176.9 | -80 | 84.6 | 0 | 0 | 0 | 112.9 | L814 M815 T817 L823 R824 I873 F874 | L814-L820 HydrophobicContact CD1-CD1 4.18Å; L814-L820 HydrophobicContact CG-CD1 4.21Å; L814-L820 HydrophobicContact CG-CD2 4.28Å; M815-L820 HydrophobicContact CE-CD2 3.97Å; T817-L820 PolarHBondContact O-N 3.07Å; T817-L820 VanDerWaalsContact O-N 3.17Å; T817-L820 VanDerWaalsContact OG1-CD1 3.26Å; T817-L820 WeakPolarHBondContact OG1-CD1 3.32Å; L820-L823 PolarHBondContact O-N 3.07Å; L820-R824 VanDerWaalsContact O-CB 3.24Å; L820-R824 WeakPolarHBondContact O-CB 3.27Å; L820-R824 PolarHBondContact O-N 2.98Å; L820-I873 HydrophobicContact CD1-CD1 3.72Å; L820-I873 HydrophobicContact CD1-CG2 3.98Å; L820-I873 HydrophobicContact CD2-CG2 4.46Å; L820-I873 HydrophobicContact CG-CD1 4.08Å; L820-F874 HydrophobicContact CD2-CE2 3.42Å; L820-F874 VanDerWaalsContact CD2-CE2 3.42Å; L820-F874 HydrophobicContact CD2-CZ 3.62Å |
| 821 | K | 94.9 | Very high | 94.9 | Very high | 102 Ų | 102 | 71.5 Ų | 71.5 | 44% | 0.443 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 168.7 | -75.7 | 156.5 | 167.7 | 154.8 | 0 | 111.1 | Q816 T817 D818 L823 R824 Q825 | Q816-K821 WeakPolarHBondContact O-CE 3.26Å; Q816-K821 PolarHBondContact O-NZ 3.48Å; T817-K821 WeakPolarHBondContact O-CG 3.43Å; T817-K821 PolarHBondContact O-N 3.43Å; D818-K821 WeakPolarHBondContact OD1-CD 3.46Å; D818-K821 IonicContact OD1-NZ 2.69Å; D818-K821 PolarHBondContact OD1-NZ 2.67Å; K821-L823 VanDerWaalsContact C-N 3.33Å; K821-L823 PolarHBondContact O-N 3.19Å; K821-R824 PolarHBondContact O-N 3.13Å; K821-Q825 WeakPolarHBondContact O-CB 3.49Å; K821-Q825 PolarHBondContact O-N 3.29Å |
| 822 | Q | 94.3 | Very high | 94.9 | Very high | 133 Ų | 133 | 73.8 Ų | 73.8 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.1 | -50.1 | 177.1 | -75.7 | 166.9 | -12.6 | 0 | 0 | 110.5 | D818 R824 Q825 T826 | D818-Q822 WeakPolarHBondContact O-CB 3.5Å; D818-Q822 WeakPolarHBondContact O-CG 3.33Å; D818-Q822 PolarHBondContact O-N 3.18Å; Q822-R824 PolarHBondContact O-N 2.95Å; Q822-Q825 CarbonylContact O-C 3.58Å; Q822-Q825 WeakPolarHBondContact O-CB 3.33Å; Q822-Q825 PolarHBondContact O-N 3.33Å; Q822-Q825 VanDerWaalsContact O-N 3.09Å; Q822-T826 PolarHBondContact O-N 3.29Å; Q822-T826 PolarHBondContact O-OG1 3.44Å |
| 823 | L | 96.5 | Very high | 94.8 | Very high | 34 Ų | 34 | 70.6 Ų | 70.6 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | -176.4 | -154.7 | 59.8 | 0 | 0 | 0 | 113.1 | K819 L820 K821 Q825 T826 V827 A866 I870 I873 | K819-L823 WeakPolarHBondContact O-CB 3.32Å; K819-L823 PolarHBondContact O-N 2.86Å; K819-L823 VanDerWaalsContact O-N 3.12Å; L820-L823 PolarHBondContact O-N 3.07Å; K821-L823 VanDerWaalsContact C-N 3.33Å; K821-L823 PolarHBondContact O-N 3.19Å; L823-Q825 VanDerWaalsContact C-N 3.29Å; L823-Q825 PolarHBondContact O-N 2.86Å; L823-T826 PolarHBondContact O-N 2.82Å; L823-V827 WeakPolarHBondContact O-CG2 3.48Å; L823-V827 PolarHBondContact O-N 2.86Å; L823-A866 HydrophobicContact CD1-CB 3.9Å; L823-A866 HydrophobicContact CG-CB 4.42Å; L823-A866 WeakPolarHBondContact CG-O 3.5Å; L823-I870 HydrophobicContact CB-CG1 4.33Å; L823-I870 HydrophobicContact CD2-CB 4.5Å; L823-I870 HydrophobicContact CD2-CG1 3.64Å; L823-I870 HydrophobicContact CG-CD1 4.47Å; L823-I870 HydrophobicContact CG-CG1 3.86Å; L823-I873 HydrophobicContact CD2-CD1 4.47Å |
| 824 | R | 95.6 | Very high | 94.7 | Very high | 160 Ų | 160 | 66.5 Ų | 66.5 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.3 | -33.7 | 172.3 | -175.5 | 180 | -179.3 | -159.8 | 0.2 | 112.2 | L820 K821 Q822 K828 | L820-R824 VanDerWaalsContact O-CB 3.24Å; L820-R824 WeakPolarHBondContact O-CB 3.27Å; L820-R824 PolarHBondContact O-N 2.98Å; K821-R824 PolarHBondContact O-N 3.13Å; Q822-R824 PolarHBondContact O-N 2.95Å; R824-K828 PolarHBondContact O-N 3.47Å; R824-K828 VanDerWaalsContact O-N 3.14Å |
| 825 | Q | 96.3 | Very high | 94.5 | Very high | 85 Ų | 85 | 73.7 Ų | 73.7 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.7 | -46 | 175 | -166.2 | 60 | 39.8 | 0 | 0 | 110.4 | K821 Q822 L823 V827 K828 D829 | K821-Q825 WeakPolarHBondContact O-CB 3.49Å; K821-Q825 PolarHBondContact O-N 3.29Å; Q822-Q825 CarbonylContact O-C 3.58Å; Q822-Q825 WeakPolarHBondContact O-CB 3.33Å; Q822-Q825 PolarHBondContact O-N 3.33Å; Q822-Q825 VanDerWaalsContact O-N 3.09Å; L823-Q825 VanDerWaalsContact C-N 3.29Å; L823-Q825 PolarHBondContact O-N 2.86Å; Q825-V827 VanDerWaalsContact C-N 3.27Å; Q825-V827 PolarHBondContact O-N 3.49Å; Q825-K828 CarbonylContact O-C 3.59Å; Q825-K828 WeakPolarHBondContact O-CA 3.03Å; Q825-K828 VanDerWaalsContact O-CB 3.32Å; Q825-K828 WeakPolarHBondContact O-CB 3.41Å; Q825-K828 PolarHBondContact O-N 3.15Å; Q825-D829 PolarHBondContact NE2-OD1 3.3Å; Q825-D829 PolarHBondContact O-N 2.92Å |
| 826 | T | 96.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 71.6 Ų | 71.6 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.6 | -40.6 | 173.1 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | Q822 L823 D829 T830 Q862 A866 | Q822-T826 PolarHBondContact O-N 3.29Å; Q822-T826 PolarHBondContact O-OG1 3.44Å; L823-T826 PolarHBondContact O-N 2.82Å; T826-D829 PolarHBondContact O-N 2.99Å; T826-T830 HydrophobicContact CG2-CG2 4.31Å; T826-T830 WeakPolarHBondContact O-CB 3.33Å; T826-T830 WeakPolarHBondContact O-CG2 3.25Å; T826-T830 PolarHBondContact O-N 3.38Å; T826-T830 PolarHBondContact O-OG1 2.72Å; T826-Q862 HydrophobicContact CG2-CG 4.23Å; T826-A866 HydrophobicContact CG2-CB 4.16Å |
| 827 | V | 97.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 173 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | L823 Q825 T830 M831 L863 A866 L867 I870 | L823-V827 WeakPolarHBondContact O-CG2 3.48Å; L823-V827 PolarHBondContact O-N 2.86Å; Q825-V827 VanDerWaalsContact C-N 3.27Å; Q825-V827 PolarHBondContact O-N 3.49Å; V827-T830 PolarHBondContact O-OG1 2.65Å; V827-M831 HydrophobicContact CG1-CE 3.81Å; V827-M831 HydrophobicContact CG1-SD 4.32Å; V827-M831 WeakPolarHBondContact O-CB 3.31Å; V827-M831 WeakPolarHBondContact O-CE 3.37Å; V827-M831 VanDerWaalsContact O-CG 3.22Å; V827-M831 WeakPolarHBondContact O-CG 3.43Å; V827-M831 PolarHBondContact O-N 2.89Å; V827-L863 HydrophobicContact CB-CD1 4.31Å; V827-L863 HydrophobicContact CG1-CD1 4Å; V827-L863 HydrophobicContact CG2-CD1 4.23Å; V827-A866 HydrophobicContact CG2-CB 3.67Å; V827-L867 HydrophobicContact CG1-CD2 4.09Å; V827-L867 HydrophobicContact CG2-CD2 3.98Å; V827-L867 HydrophobicContact CG2-CG 4.19Å; V827-I870 HydrophobicContact CG2-CD1 4.03Å |
| 828 | K | 96.9 | Very high | 93.3 | Very high | 99 Ų | 99 | 73.7 Ų | 73.7 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.5 | -55.5 | 173.1 | -75.3 | 177.4 | 156.1 | -153.2 | 0 | 112 | R824 Q825 T830 M831 E832 | R824-K828 PolarHBondContact O-N 3.47Å; R824-K828 VanDerWaalsContact O-N 3.14Å; Q825-K828 CarbonylContact O-C 3.59Å; Q825-K828 WeakPolarHBondContact O-CA 3.03Å; Q825-K828 VanDerWaalsContact O-CB 3.32Å; Q825-K828 WeakPolarHBondContact O-CB 3.41Å; Q825-K828 PolarHBondContact O-N 3.15Å; K828-T830 VanDerWaalsContact C-N 3.27Å; K828-T830 PolarHBondContact O-N 2.88Å; K828-M831 PolarHBondContact O-N 2.92Å; K828-E832 PolarHBondContact O-N 3Å |
| 829 | D | 96.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 75.6 Ų | 75.6 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | -173.4 | -53.3 | -27.9 | 0 | 0 | 0 | 110.6 | Q825 T826 F833 | Q825-D829 PolarHBondContact NE2-OD1 3.3Å; Q825-D829 PolarHBondContact O-N 2.92Å; T826-D829 PolarHBondContact O-N 2.99Å; D829-F833 VanDerWaalsContact O-CB 3.3Å; D829-F833 WeakPolarHBondContact O-CB 3.44Å; D829-F833 PolarHBondContact O-N 2.88Å |
| 830 | T | 96 | Very high | 91.8 | Very high | 7 Ų | 7 | 77.6 Ų | 77.6 | 4% | 0.043 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.3 | -35.2 | 177.1 | 53.4 | 0 | 0 | 0 | 0 | 113 | T826 V827 K828 I834 V859 Q862 | T826-T830 HydrophobicContact CG2-CG2 4.31Å; T826-T830 WeakPolarHBondContact O-CB 3.33Å; T826-T830 WeakPolarHBondContact O-CG2 3.25Å; T826-T830 PolarHBondContact O-N 3.38Å; T826-T830 PolarHBondContact O-OG1 2.72Å; V827-T830 PolarHBondContact O-OG1 2.65Å; K828-T830 VanDerWaalsContact C-N 3.27Å; K828-T830 PolarHBondContact O-N 2.88Å; T830-I834 WeakPolarHBondContact O-CB 3.41Å; T830-I834 WeakPolarHBondContact O-CD1 3.49Å; T830-I834 WeakPolarHBondContact O-CG1 3.45Å; T830-I834 PolarHBondContact O-N 2.94Å; T830-V859 HydrophobicContact CG2-CG1 3.99Å; T830-Q862 HydrophobicContact CG2-CB 4.46Å; T830-Q862 HydrophobicContact CG2-CG 4.09Å |
| 831 | M | 94.6 | Very high | 90.4 | Very high | 87 Ų | 87 | 79.4 Ų | 79.4 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.5 | -35.5 | 173.5 | -73.8 | -171.5 | -49.8 | 0 | 0 | 113.1 | V827 K828 R835 L863 | V827-M831 HydrophobicContact CG1-CE 3.81Å; V827-M831 HydrophobicContact CG1-SD 4.32Å; V827-M831 WeakPolarHBondContact O-CB 3.31Å; V827-M831 WeakPolarHBondContact O-CE 3.37Å; V827-M831 VanDerWaalsContact O-CG 3.22Å; V827-M831 WeakPolarHBondContact O-CG 3.43Å; V827-M831 PolarHBondContact O-N 2.89Å; K828-M831 PolarHBondContact O-N 2.92Å; M831-R835 WeakPolarHBondContact O-CB 3.5Å; M831-R835 PolarHBondContact O-N 3.45Å; M831-L863 HydrophobicContact CG-CD1 3.98Å; M831-L863 HydrophobicContact CG-CD2 3.92Å |
| 832 | E | 94.5 | Very high | 88.3 | Confident | 114 Ų | 114 | 79.2 Ų | 79.2 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70 | -41.9 | 173.8 | -79.6 | 179 | 160.4 | 0 | 0 | 110.9 | K828 R835 S836 | K828-E832 PolarHBondContact O-N 3Å; E832-R835 PolarHBondContact O-N 2.93Å; E832-S836 PolarHBondContact O-N 2.92Å |
| 833 | F | 94 | Very high | 86.4 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 171.1 | -178.9 | -85.2 | 0 | 0 | 0 | 112.3 | D829 R835 S836 F837 L855 V859 | D829-F833 VanDerWaalsContact O-CB 3.3Å; D829-F833 WeakPolarHBondContact O-CB 3.44Å; D829-F833 PolarHBondContact O-N 2.88Å; F833-R835 PolarHBondContact O-N 3.14Å; F833-S836 PolarHBondContact O-N 3.33Å; F833-S836 PolarHBondContact O-OG 3.46Å; F833-F837 HydrophobicContact CD1-CB 4.45Å; F833-F837 HydrophobicContact CE1-CB 4.15Å; F833-F837 HydrophobicContact CE1-CD2 4.18Å; F833-F837 HydrophobicContact CE1-CG 4.2Å; F833-F837 HydrophobicContact CZ-CD2 4.1Å; F833-F837 WeakPolarHBondContact O-CB 3.29Å; F833-F837 PolarHBondContact O-N 3.42Å; F833-L855 HydrophobicContact CE1-CG 4.48Å; F833-L855 HydrophobicContact CZ-CD2 4.12Å; F833-L855 HydrophobicContact CZ-CG 4.43Å; F833-V859 HydrophobicContact CD1-CB 4.44Å; F833-V859 HydrophobicContact CD1-CG1 3.99Å; F833-V859 HydrophobicContact CD1-CG2 4Å; F833-V859 HydrophobicContact CE1-CG2 3.92Å |
| 834 | I | 91.3 | Very high | 84.2 | Confident | 22 Ų | 22 | 87.4 Ų | 87.4 | 11% | 0.113 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 176.9 | -73.4 | 162.5 | 0 | 0 | 0 | 110.5 | T830 Q838 V859 L860 L863 | T830-I834 WeakPolarHBondContact O-CB 3.41Å; T830-I834 WeakPolarHBondContact O-CD1 3.49Å; T830-I834 WeakPolarHBondContact O-CG1 3.45Å; T830-I834 PolarHBondContact O-N 2.94Å; I834-Q838 VanDerWaalsContact O-CB 3.32Å; I834-Q838 WeakPolarHBondContact O-CB 3.38Å; I834-Q838 WeakPolarHBondContact O-CG 3.09Å; I834-Q838 PolarHBondContact O-N 3.48Å; I834-V859 HydrophobicContact CD1-CG1 3.97Å; I834-V859 HydrophobicContact CG1-CG1 3.81Å; I834-L860 HydrophobicContact CD1-CD2 3.8Å; I834-L860 HydrophobicContact CD1-CG 4.34Å; I834-L863 HydrophobicContact CD1-CD2 3.83Å |
| 835 | R | 90.5 | Very high | 82.1 | Confident | 157 Ų | 157 | 90.2 Ų | 90.2 | 59% | 0.592 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.6 | -46.1 | 177.9 | -168.9 | -172.1 | -59.7 | 136.6 | 4.7 | 112.3 | M831 E832 F833 Q838 S839 | M831-R835 WeakPolarHBondContact O-CB 3.5Å; M831-R835 PolarHBondContact O-N 3.45Å; E832-R835 PolarHBondContact O-N 2.93Å; F833-R835 PolarHBondContact O-N 3.14Å; R835-Q838 PolarHBondContact O-N 3.46Å; R835-S839 PolarHBondContact O-N 3.33Å; R835-S839 VanDerWaalsContact O-N 3.1Å; R835-S839 PolarHBondContact O-OG 3.04Å |
| 836 | S | 88.9 | Confident | 80.3 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 29% | 0.287 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 179.5 | 70.9 | 0 | 0 | 0 | 0 | 110.7 | E832 F833 Q838 S839 E840 | E832-S836 PolarHBondContact O-N 2.92Å; F833-S836 PolarHBondContact O-N 3.33Å; F833-S836 PolarHBondContact O-OG 3.46Å; S836-Q838 VanDerWaalsContact C-N 3.33Å; S836-Q838 PolarHBondContact O-N 3.45Å; S836-S839 WeakPolarHBondContact CA-OG 3.34Å; S836-S839 CarbonylContact O-C 3.55Å; S836-S839 PolarHBondContact O-N 3.21Å; S836-S839 PolarHBondContact O-OG 3.1Å; S836-E840 WeakPolarHBondContact O-CB 3.37Å; S836-E840 WeakPolarHBondContact O-CG 3.46Å; S836-E840 PolarHBondContact O-N 2.82Å |
| 837 | F | 86.6 | Confident | 78.4 | Confident | 28 Ų | 28 | 95.2 Ų | 95.2 | 12% | 0.123 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -56.8 | -42.4 | 174.3 | -170.1 | -105.1 | 0 | 0 | 0 | 112.5 | F833 S839 E840 A841 D852 L855 Q856 | F833-F837 HydrophobicContact CD1-CB 4.45Å; F833-F837 HydrophobicContact CE1-CB 4.15Å; F833-F837 HydrophobicContact CE1-CD2 4.18Å; F833-F837 HydrophobicContact CE1-CG 4.2Å; F833-F837 HydrophobicContact CZ-CD2 4.1Å; F833-F837 WeakPolarHBondContact O-CB 3.29Å; F833-F837 PolarHBondContact O-N 3.42Å; F837-S839 VanDerWaalsContact C-N 3.31Å; F837-S839 PolarHBondContact O-N 3.44Å; F837-E840 PolarHBondContact O-N 3.39Å; F837-A841 VanDerWaalsContact O-CB 3.31Å; F837-A841 WeakPolarHBondContact O-CB 3.31Å; F837-A841 PolarHBondContact O-N 3.1Å; F837-D852 HydrophobicContact CZ-CB 3.75Å; F837-L855 HydrophobicContact CE2-CD2 3.89Å; F837-L855 HydrophobicContact CZ-CD2 4.32Å; F837-Q856 HydrophobicContact CE1-CB 4.14Å |
| 838 | Q | 81.9 | Confident | 77 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.6 | -21.9 | 175 | -76.4 | 172.5 | -4.8 | 0 | 0 | 114.3 | I834 R835 S836 | I834-Q838 VanDerWaalsContact O-CB 3.32Å; I834-Q838 WeakPolarHBondContact O-CB 3.38Å; I834-Q838 WeakPolarHBondContact O-CG 3.09Å; I834-Q838 PolarHBondContact O-N 3.48Å; R835-Q838 PolarHBondContact O-N 3.46Å; S836-Q838 VanDerWaalsContact C-N 3.33Å; S836-Q838 PolarHBondContact O-N 3.45Å |
| 839 | S | 78.3 | Confident | 76.3 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -91.1 | -29.2 | 172.8 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | R835 S836 F837 | R835-S839 PolarHBondContact O-N 3.33Å; R835-S839 VanDerWaalsContact O-N 3.1Å; R835-S839 PolarHBondContact O-OG 3.04Å; S836-S839 WeakPolarHBondContact CA-OG 3.34Å; S836-S839 CarbonylContact O-C 3.55Å; S836-S839 PolarHBondContact O-N 3.21Å; S836-S839 PolarHBondContact O-OG 3.1Å; F837-S839 VanDerWaalsContact C-N 3.31Å; F837-S839 PolarHBondContact O-N 3.44Å |
| 840 | E | 73.5 | Confident | 75.7 | Confident | 142 Ų | 142 | 96.1 Ų | 96.1 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -82.9 | -36.3 | -178.9 | -74.1 | 167.9 | -150.4 | 0 | 0 | 112.1 | S836 F837 P842 | S836-E840 WeakPolarHBondContact O-CB 3.37Å; S836-E840 WeakPolarHBondContact O-CG 3.46Å; S836-E840 PolarHBondContact O-N 2.82Å; F837-E840 PolarHBondContact O-N 3.39Å; E840-P842 WeakPolarHBondContact O-CD 3.5Å |
| 841 | A | 62.9 | Low | 75.2 | Confident | 43 Ų | 43 | 103.2 Ų | 103.2 | 36% | 0.355 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -85.7 | 100.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F837 L843 | F837-A841 VanDerWaalsContact O-CB 3.31Å; F837-A841 WeakPolarHBondContact O-CB 3.31Å; F837-A841 PolarHBondContact O-N 3.1Å; A841-L843 PolarHBondContact O-N 3.41Å |
| 842 | P | 51.8 | Low | 74.8 | Confident | 97 Ų | 97 | 101.8 Ų | 101.8 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | trans | -78.1 | 118 | -170.8 | -8.4 | 27.9 | 0 | 0 | 0 | 109 | E840 K844 | E840-P842 WeakPolarHBondContact O-CD 3.5Å; P842-K844 PolarHBondContact O-N 3.38Å | ||
| 843 | L | 54.5 | Low | 74.4 | Confident | 140 Ų | 140 | 98.6 Ų | 98.6 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 12.3 | 177.6 | -70.7 | 164.3 | 0 | 0 | 0 | 114.9 | A841 R845 | A841-L843 PolarHBondContact O-N 3.41Å; L843-R845 PolarHBondContact O-N 3.01Å |
| 844 | K | 51.2 | Low | 74.3 | Confident | 199 Ų | 199 | 97.2 Ų | 97.2 | 87% | 0.865 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.2 | 178.2 | -67.7 | -162.8 | 173.1 | -171.7 | 0 | 114.3 | P842 | P842-K844 PolarHBondContact O-N 3.38Š|
| 845 | R | 50.3 | Low | 74.3 | Confident | 220 Ų | 220 | 98.7 Ų | 98.7 | 83% | 0.83 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -134.6 | 124.9 | 155.8 | -69.1 | -175.2 | 178 | 134.8 | 1.8 | 107.9 | L843 I847 | L843-R845 PolarHBondContact O-N 3.01Å; R845-I847 PolarHBondContact O-N 2.86Å |
| 846 | G | 58.5 | Low | 74.3 | Confident | 78 Ų | 78 | 94.3 Ų | 94.3 | 80% | 0.804 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -73.6 | 35.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 847 | I | 57.8 | Low | 74.4 | Confident | 152 Ų | 152 | 98.6 Ų | 98.6 | 78% | 0.779 | 54% | 0.544 | S | S | * | . | trans | -124.7 | 86.7 | 179.9 | -51.7 | 177.4 | 0 | 0 | 0 | 107.3 | R845 | R845-I847 PolarHBondContact O-N 2.86Š| ||
| 848 | V | 66.6 | Low | 74.8 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | trans | -64.2 | 133.8 | 167 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | D852 A853 | V848-D852 HydrophobicContact CG1-CB 3.55Å; V848-A853 HydrophobicContact CG1-CB 4.23Å | ||
| 849 | S | 82.7 | Confident | 75.5 | Confident | 51 Ų | 51 | 98.8 Ų | 98.8 | 36% | 0.357 | 54% | 0.54 | S | S | . | . | trans | -57.3 | 145.7 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | Q851 D852 A853 | S849-Q851 PolarHBondContact O-N 3.46Å; S849-Q851 VanDerWaalsContact O-N 3.11Å; S849-Q851 PolarHBondContact OG-N 2.82Å; S849-D852 WeakPolarHBondContact CB-OD2 3.4Å; S849-D852 WeakPolarHBondContact O-CA 3.49Å; S849-D852 WeakPolarHBondContact O-CB 3.47Å; S849-D852 PolarHBondContact O-N 3.42Å; S849-A853 PolarHBondContact O-N 3.3Å | ||
| 850 | A | 82.9 | Confident | 76.2 | Confident | 87 Ų | 87 | 96.8 Ų | 96.8 | 72% | 0.719 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.8 | -29 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S854 | A850-S854 WeakPolarHBondContact O-CB 3.49Å; A850-S854 PolarHBondContact O-N 3.36Å; A850-S854 VanDerWaalsContact O-N 3.15Å |
| 851 | Q | 85.3 | Confident | 77.3 | Confident | 155 Ų | 155 | 92.3 Ų | 92.3 | 72% | 0.724 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.5 | -41.7 | 174.3 | -61.4 | 179.7 | 1.3 | 0 | 0 | 111.9 | S849 S854 L855 | S849-Q851 PolarHBondContact O-N 3.46Å; S849-Q851 VanDerWaalsContact O-N 3.11Å; S849-Q851 PolarHBondContact OG-N 2.82Å; Q851-S854 PolarHBondContact O-N 3.45Å; Q851-L855 WeakPolarHBondContact O-CB 3.36Å; Q851-L855 PolarHBondContact O-N 2.94Å |
| 852 | D | 87.1 | Confident | 78.8 | Confident | 58 Ų | 58 | 95.2 Ų | 95.2 | 31% | 0.31 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 177.9 | -69.1 | -29 | 0 | 0 | 0 | 111.6 | F837 V848 S849 L855 Q856 | F837-D852 HydrophobicContact CZ-CB 3.75Å; V848-D852 HydrophobicContact CG1-CB 3.55Å; S849-D852 WeakPolarHBondContact CB-OD2 3.4Å; S849-D852 WeakPolarHBondContact O-CA 3.49Å; S849-D852 WeakPolarHBondContact O-CB 3.47Å; S849-D852 PolarHBondContact O-N 3.42Å; D852-L855 PolarHBondContact O-N 2.88Å; D852-Q856 WeakPolarHBondContact O-CB 3.18Å; D852-Q856 PolarHBondContact O-N 3.23Å |
| 853 | A | 85.8 | Confident | 81 | Confident | 46 Ų | 46 | 91.6 Ų | 91.6 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V848 S849 L855 Q856 E857 | V848-A853 HydrophobicContact CG1-CB 4.23Å; S849-A853 PolarHBondContact O-N 3.3Å; A853-L855 VanDerWaalsContact C-N 3.33Å; A853-L855 PolarHBondContact O-N 3.12Å; A853-Q856 PolarHBondContact O-N 2.98Å; A853-E857 WeakPolarHBondContact O-CB 3.19Å; A853-E857 PolarHBondContact O-N 3Å |
| 854 | S | 91.1 | Very high | 83 | Confident | 52 Ų | 52 | 91.6 Ų | 91.6 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.9 | -29.6 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 113.1 | A850 Q851 R858 | A850-S854 WeakPolarHBondContact O-CB 3.49Å; A850-S854 PolarHBondContact O-N 3.36Å; A850-S854 VanDerWaalsContact O-N 3.15Å; Q851-S854 PolarHBondContact O-N 3.45Å; S854-R858 VanDerWaalsContact O-CG 3.31Å; S854-R858 WeakPolarHBondContact O-CG 3.06Å; S854-R858 PolarHBondContact O-N 3.29Å; S854-R858 PolarHBondContact O-NE 3.45Å |
| 855 | L | 92.6 | Very high | 85.2 | Confident | 53 Ų | 53 | 85.1 Ų | 85.1 | 28% | 0.277 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.3 | -48.9 | 171.7 | -178.9 | 57.1 | 0 | 0 | 0 | 111 | F833 F837 Q851 D852 A853 E857 R858 V859 | F833-L855 HydrophobicContact CE1-CG 4.48Å; F833-L855 HydrophobicContact CZ-CD2 4.12Å; F833-L855 HydrophobicContact CZ-CG 4.43Å; F837-L855 HydrophobicContact CE2-CD2 3.89Å; F837-L855 HydrophobicContact CZ-CD2 4.32Å; Q851-L855 WeakPolarHBondContact O-CB 3.36Å; Q851-L855 PolarHBondContact O-N 2.94Å; D852-L855 PolarHBondContact O-N 2.88Å; A853-L855 VanDerWaalsContact C-N 3.33Å; A853-L855 PolarHBondContact O-N 3.12Å; L855-E857 VanDerWaalsContact C-N 3.34Å; L855-E857 PolarHBondContact O-N 3.3Å; L855-R858 PolarHBondContact O-N 2.99Å; L855-V859 HydrophobicContact CD1-CG2 4.29Å; L855-V859 WeakPolarHBondContact O-CG2 3.45Å; L855-V859 PolarHBondContact O-N 3.29Å |
| 856 | Q | 89.8 | Confident | 87.4 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58 | -43.9 | 175.9 | -179.1 | 178 | -23.1 | 0 | 0 | 111.7 | F837 D852 A853 V859 L860 | F837-Q856 HydrophobicContact CE1-CB 4.14Å; D852-Q856 WeakPolarHBondContact O-CB 3.18Å; D852-Q856 PolarHBondContact O-N 3.23Å; A853-Q856 PolarHBondContact O-N 2.98Å; Q856-V859 PolarHBondContact O-N 3.47Å; Q856-L860 HydrophobicContact CG-CD1 3.92Å; Q856-L860 HydrophobicContact CG-CG 4.45Å; Q856-L860 WeakPolarHBondContact O-CB 3.31Å; Q856-L860 VanDerWaalsContact O-CG 3.26Å; Q856-L860 WeakPolarHBondContact O-CG 3.48Å; Q856-L860 PolarHBondContact O-N 3.21Å |
| 857 | E | 91.9 | Very high | 89.2 | Confident | 130 Ų | 130 | 75.3 Ų | 75.3 | 61% | 0.607 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60 | -47.3 | 175.8 | -176.7 | 178.1 | -153.3 | 0 | 0 | 111.8 | A853 L855 V859 L860 A861 | A853-E857 WeakPolarHBondContact O-CB 3.19Å; A853-E857 PolarHBondContact O-N 3Å; L855-E857 VanDerWaalsContact C-N 3.34Å; L855-E857 PolarHBondContact O-N 3.3Å; E857-V859 PolarHBondContact O-N 2.91Å; E857-L860 PolarHBondContact O-N 2.85Å; E857-A861 WeakPolarHBondContact O-CB 3.02Å; E857-A861 PolarHBondContact O-N 3.07Å |
| 858 | R | 94.4 | Very high | 91 | Very high | 130 Ų | 130 | 75 Ų | 75 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 178.9 | -75.5 | 178 | -67.4 | 149.1 | -0.6 | 112.6 | S854 L855 A861 Q862 | S854-R858 VanDerWaalsContact O-CG 3.31Å; S854-R858 WeakPolarHBondContact O-CG 3.06Å; S854-R858 PolarHBondContact O-N 3.29Å; S854-R858 PolarHBondContact O-NE 3.45Å; L855-R858 PolarHBondContact O-N 2.99Å; R858-A861 PolarHBondContact O-N 3.36Å; R858-Q862 PolarHBondContact O-N 3.05Å |
| 859 | V | 95.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 72.6 Ų | 72.6 | 9% | 0.085 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.8 | -37 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | T830 F833 I834 L855 Q856 E857 Q862 L863 | T830-V859 HydrophobicContact CG2-CG1 3.99Å; F833-V859 HydrophobicContact CD1-CB 4.44Å; F833-V859 HydrophobicContact CD1-CG1 3.99Å; F833-V859 HydrophobicContact CD1-CG2 4Å; F833-V859 HydrophobicContact CE1-CG2 3.92Å; I834-V859 HydrophobicContact CD1-CG1 3.97Å; I834-V859 HydrophobicContact CG1-CG1 3.81Å; L855-V859 HydrophobicContact CD1-CG2 4.29Å; L855-V859 WeakPolarHBondContact O-CG2 3.45Å; L855-V859 PolarHBondContact O-N 3.29Å; Q856-V859 PolarHBondContact O-N 3.47Å; E857-V859 PolarHBondContact O-N 2.91Å; V859-Q862 PolarHBondContact O-N 2.81Å; V859-L863 WeakPolarHBondContact O-CB 3.36Å; V859-L863 PolarHBondContact O-N 3.13Å |
| 860 | L | 93.8 | Very high | 93 | Very high | 49 Ų | 49 | 72.1 Ų | 72.1 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 171.4 | -74.9 | 170.9 | 0 | 0 | 0 | 112.2 | I834 Q856 E857 L863 R864 | I834-L860 HydrophobicContact CD1-CD2 3.8Å; I834-L860 HydrophobicContact CD1-CG 4.34Å; Q856-L860 HydrophobicContact CG-CD1 3.92Å; Q856-L860 HydrophobicContact CG-CG 4.45Å; Q856-L860 WeakPolarHBondContact O-CB 3.31Å; Q856-L860 VanDerWaalsContact O-CG 3.26Å; Q856-L860 WeakPolarHBondContact O-CG 3.48Å; Q856-L860 PolarHBondContact O-N 3.21Å; E857-L860 PolarHBondContact O-N 2.85Å; L860-L863 PolarHBondContact O-N 2.88Å; L860-R864 WeakPolarHBondContact O-CB 3.48Å; L860-R864 WeakPolarHBondContact O-CD 3.31Å; L860-R864 WeakPolarHBondContact O-CG 3.25Å; L860-R864 PolarHBondContact O-N 3.26Å |
| 861 | A | 95.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 72 Ų | 72 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E857 R858 R864 A865 | E857-A861 WeakPolarHBondContact O-CB 3.02Å; E857-A861 PolarHBondContact O-N 3.07Å; R858-A861 PolarHBondContact O-N 3.36Å; A861-R864 PolarHBondContact O-N 3.3Å; A861-A865 WeakPolarHBondContact O-CB 3.25Å; A861-A865 PolarHBondContact O-N 3.27Å |
| 862 | Q | 96.3 | Very high | 94.1 | Very high | 104 Ų | 104 | 67.5 Ų | 67.5 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 174.3 | -174.4 | 178.7 | -4.8 | 0 | 0 | 112.2 | T826 T830 R858 V859 A865 A866 | T826-Q862 HydrophobicContact CG2-CG 4.23Å; T830-Q862 HydrophobicContact CG2-CB 4.46Å; T830-Q862 HydrophobicContact CG2-CG 4.09Å; R858-Q862 PolarHBondContact O-N 3.05Å; V859-Q862 PolarHBondContact O-N 2.81Å; Q862-A865 PolarHBondContact O-N 3.48Å; Q862-A866 WeakPolarHBondContact O-CB 3.07Å; Q862-A866 PolarHBondContact O-N 2.82Å |
| 863 | L | 96.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.2 | 174.8 | 58.2 | 0 | 0 | 0 | 111.3 | V827 M831 I834 V859 L860 A866 L867 | V827-L863 HydrophobicContact CB-CD1 4.31Å; V827-L863 HydrophobicContact CG1-CD1 4Å; V827-L863 HydrophobicContact CG2-CD1 4.23Å; M831-L863 HydrophobicContact CG-CD1 3.98Å; M831-L863 HydrophobicContact CG-CD2 3.92Å; I834-L863 HydrophobicContact CD1-CD2 3.83Å; V859-L863 WeakPolarHBondContact O-CB 3.36Å; V859-L863 PolarHBondContact O-N 3.13Å; L860-L863 PolarHBondContact O-N 2.88Å; L863-A866 PolarHBondContact O-N 3.32Å; L863-L867 HydrophobicContact CD1-CD1 3.96Å; L863-L867 HydrophobicContact CD1-CG 4.13Å; L863-L867 HydrophobicContact CG-CD1 4.06Å; L863-L867 WeakPolarHBondContact O-CB 3.43Å; L863-L867 VanDerWaalsContact O-CG 3.29Å; L863-L867 WeakPolarHBondContact O-CG 3.43Å; L863-L867 PolarHBondContact O-N 3.26Å |
| 864 | R | 96.6 | Very high | 94.8 | Very high | 139 Ų | 139 | 64.2 Ų | 64.2 | 53% | 0.525 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.7 | -50 | 174.4 | -73.8 | 165.7 | -177 | 152.6 | -1 | 111.4 | L860 A861 A866 L867 Y868 | L860-R864 WeakPolarHBondContact O-CB 3.48Å; L860-R864 WeakPolarHBondContact O-CD 3.31Å; L860-R864 WeakPolarHBondContact O-CG 3.25Å; L860-R864 PolarHBondContact O-N 3.26Å; A861-R864 PolarHBondContact O-N 3.3Å; R864-A866 VanDerWaalsContact C-N 3.3Å; R864-A866 PolarHBondContact O-N 2.82Å; R864-L867 PolarHBondContact O-N 3.46Å; R864-Y868 HydrophobicContact CB-CD2 4.41Å; R864-Y868 HydrophobicContact CB-CE2 4.18Å; R864-Y868 WeakPolarHBondContact O-CD2 3.35Å; R864-Y868 PolarHBondContact O-N 2.72Å |
| 865 | A | 96.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 69 Ų | 69 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A861 Q862 G869 | A861-A865 WeakPolarHBondContact O-CB 3.25Å; A861-A865 PolarHBondContact O-N 3.27Å; Q862-A865 PolarHBondContact O-N 3.48Å; A865-G869 PolarHBondContact O-N 3.48Å |
| 866 | A | 96.7 | Very high | 95 | Very high | 5 Ų | 5 | 70.9 Ų | 70.9 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L823 T826 V827 Q862 L863 R864 G869 I870 | L823-A866 HydrophobicContact CD1-CB 3.9Å; L823-A866 HydrophobicContact CG-CB 4.42Å; L823-A866 WeakPolarHBondContact CG-O 3.5Å; T826-A866 HydrophobicContact CG2-CB 4.16Å; V827-A866 HydrophobicContact CG2-CB 3.67Å; Q862-A866 WeakPolarHBondContact O-CB 3.07Å; Q862-A866 PolarHBondContact O-N 2.82Å; L863-A866 PolarHBondContact O-N 3.32Å; R864-A866 VanDerWaalsContact C-N 3.3Å; R864-A866 PolarHBondContact O-N 2.82Å; A866-G869 PolarHBondContact O-N 3.07Å; A866-I870 WeakPolarHBondContact O-CG1 3.32Å; A866-I870 PolarHBondContact O-N 2.88Å |
| 867 | L | 96.4 | Very high | 95.2 | Very high | 87 Ų | 87 | 69.4 Ų | 69.4 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 174.8 | -70.7 | 169.1 | 0 | 0 | 0 | 112.2 | V827 L863 R864 I870 H871 | V827-L867 HydrophobicContact CG1-CD2 4.09Å; V827-L867 HydrophobicContact CG2-CD2 3.98Å; V827-L867 HydrophobicContact CG2-CG 4.19Å; L863-L867 HydrophobicContact CD1-CD1 3.96Å; L863-L867 HydrophobicContact CD1-CG 4.13Å; L863-L867 HydrophobicContact CG-CD1 4.06Å; L863-L867 WeakPolarHBondContact O-CB 3.43Å; L863-L867 VanDerWaalsContact O-CG 3.29Å; L863-L867 WeakPolarHBondContact O-CG 3.43Å; L863-L867 PolarHBondContact O-N 3.26Å; R864-L867 PolarHBondContact O-N 3.46Å; L867-I870 PolarHBondContact O-N 3.14Å; L867-I870 VanDerWaalsContact O-N 3.11Å; L867-H871 PolarHBondContact O-N 2.65Å |
| 868 | Y | 97.1 | Very high | 95.3 | Very high | 146 Ų | 146 | 68.2 Ų | 68.2 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60 | -45.9 | 173 | -71.9 | -55 | 0 | 0 | 0 | 111.1 | R864 I870 H871 D872 | R864-Y868 HydrophobicContact CB-CD2 4.41Å; R864-Y868 HydrophobicContact CB-CE2 4.18Å; R864-Y868 WeakPolarHBondContact O-CD2 3.35Å; R864-Y868 PolarHBondContact O-N 2.72Å; Y868-I870 PolarHBondContact O-N 2.83Å; Y868-I870 VanDerWaalsContact O-N 3.11Å; Y868-H871 CarbonylContact O-C 3.55Å; Y868-H871 WeakPolarHBondContact O-CA 3.39Å; Y868-H871 WeakPolarHBondContact O-CB 3.31Å; Y868-H871 PolarHBondContact O-N 2.86Å; Y868-D872 WeakPolarHBondContact O-CB 3.21Å; Y868-D872 PolarHBondContact O-N 3.23Å |
| 869 | G | 95.5 | Very high | 95.2 | Very high | 20 Ų | 20 | 65.1 Ų | 65.1 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.4 | -24.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A865 A866 I873 | A865-G869 PolarHBondContact O-N 3.48Å; A866-G869 PolarHBondContact O-N 3.07Å; G869-I873 WeakPolarHBondContact O-CD1 3.34Å; G869-I873 WeakPolarHBondContact O-CG1 3.33Å |
| 870 | I | 95.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 21% | 0.21 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -76.8 | -48.8 | 170.1 | -65 | 172.3 | 0 | 0 | 0 | 109.9 | L823 V827 A866 L867 Y868 D872 I873 F874 | L823-I870 HydrophobicContact CB-CG1 4.33Å; L823-I870 HydrophobicContact CD2-CB 4.5Å; L823-I870 HydrophobicContact CD2-CG1 3.64Å; L823-I870 HydrophobicContact CG-CD1 4.47Å; L823-I870 HydrophobicContact CG-CG1 3.86Å; V827-I870 HydrophobicContact CG2-CD1 4.03Å; A866-I870 WeakPolarHBondContact O-CG1 3.32Å; A866-I870 PolarHBondContact O-N 2.88Å; L867-I870 PolarHBondContact O-N 3.14Å; L867-I870 VanDerWaalsContact O-N 3.11Å; Y868-I870 PolarHBondContact O-N 2.83Å; Y868-I870 VanDerWaalsContact O-N 3.11Å; I870-D872 VanDerWaalsContact C-N 3.32Å; I870-D872 PolarHBondContact O-N 3.32Å; I870-I873 PolarHBondContact O-N 3.11Å; I870-F874 HydrophobicContact CG2-CD2 4.24Å; I870-F874 HydrophobicContact CG2-CE2 4.33Å; I870-F874 WeakPolarHBondContact O-CD2 3.37Å; I870-F874 PolarHBondContact O-N 2.84Å |
| 871 | H | 95.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 39% | 0.394 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -52.6 | -51.4 | 177.3 | 167.2 | -90 | 0 | 0 | 0 | 111 | L867 Y868 I873 F874 F875 V876 | L867-H871 PolarHBondContact O-N 2.65Å; Y868-H871 CarbonylContact O-C 3.55Å; Y868-H871 WeakPolarHBondContact O-CA 3.39Å; Y868-H871 WeakPolarHBondContact O-CB 3.31Å; Y868-H871 PolarHBondContact O-N 2.86Å; H871-I873 VanDerWaalsContact C-N 3.31Å; H871-I873 PolarHBondContact O-N 2.91Å; H871-F874 PolarHBondContact O-N 3.11Å; H871-F875 HydrophobicContact CB-CD2 4.47Å; H871-F875 AromaticContact CD2-CD2 3.48Å; H871-F875 VanDerWaalsContact CD2-CD2 3.48Å; H871-F875 WeakPolarHBondContact CD2-CD2 3.29Å; H871-F875 VanDerWaalsContact O-CD2 3.3Å; H871-F875 WeakPolarHBondContact O-CD2 3.28Å; H871-F875 PolarHBondContact O-N 2.98Å; H871-V876 VanDerWaalsContact CE1-CG2 3.5Å; H871-V876 WeakPolarHBondContact CE1-CG2 3.28Å |
| 872 | D | 95.5 | Very high | 95.1 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 32% | 0.321 | 37% | 0.371 | S | S | . | . | I | π-helix | trans | -60 | -43 | -174.5 | -59.4 | -17.3 | 0 | 0 | 0 | 110.9 | Y868 I870 F874 V876 M877 | Y868-D872 WeakPolarHBondContact O-CB 3.21Å; Y868-D872 PolarHBondContact O-N 3.23Å; I870-D872 VanDerWaalsContact C-N 3.32Å; I870-D872 PolarHBondContact O-N 3.32Å; D872-F874 PolarHBondContact O-N 2.89Å; D872-V876 HydrophobicContact CB-CB 4.22Å; D872-V876 HydrophobicContact CB-CG2 4.4Å; D872-V876 PolarHBondContact O-N 3.27Å; D872-M877 WeakPolarHBondContact O-CB 3.36Å; D872-M877 WeakPolarHBondContact O-CG 3.37Å; D872-M877 PolarHBondContact O-N 3.4Å |
| 873 | I | 94.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -66 | -20.3 | -179.8 | -58 | 162.6 | 0 | 0 | 0 | 113 | L814 K819 L820 L823 G869 I870 H871 M877 R882 I885 | L814-I873 HydrophobicContact CD1-CG2 4.12Å; L814-I873 HydrophobicContact CD2-CG2 3.8Å; L814-I873 HydrophobicContact CG-CG2 4.03Å; K819-I873 HydrophobicContact CD-CD1 3.83Å; K819-I873 HydrophobicContact CG-CD1 4.35Å; L820-I873 HydrophobicContact CD1-CD1 3.72Å; L820-I873 HydrophobicContact CD1-CG2 3.98Å; L820-I873 HydrophobicContact CD2-CG2 4.46Å; L820-I873 HydrophobicContact CG-CD1 4.08Å; L823-I873 HydrophobicContact CD2-CD1 4.47Å; G869-I873 WeakPolarHBondContact O-CD1 3.34Å; G869-I873 WeakPolarHBondContact O-CG1 3.33Å; I870-I873 PolarHBondContact O-N 3.11Å; H871-I873 VanDerWaalsContact C-N 3.31Å; H871-I873 PolarHBondContact O-N 2.91Å; I873-M877 HydrophobicContact CB-SD 4.09Å; I873-M877 HydrophobicContact CG1-SD 3.58Å; I873-M877 VanDerWaalsContact CG1-SD 3.58Å; I873-M877 HydrophobicContact CG2-SD 4.37Å; I873-R882 VanDerWaalsContact O-CD 3.25Å; I873-R882 WeakPolarHBondContact O-CD 3.38Å; I873-R882 WeakPolarHBondContact O-CG 3.45Å; I873-I885 HydrophobicContact CG2-CD1 3.95Å |
| 874 | F | 93.7 | Very high | 95 | Very high | 34 Ų | 34 | 73.5 Ų | 73.5 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -102.1 | -35.5 | 176.6 | -74.1 | -70.4 | 0 | 0 | 0 | 114.7 | T811 L814 M815 L820 I870 H871 D872 R882 | T811-F874 HydrophobicContact CG2-CE1 3.89Å; L814-F874 HydrophobicContact CB-CE1 4.37Å; L814-F874 HydrophobicContact CB-CZ 4.41Å; L814-F874 HydrophobicContact CD2-CD1 4.3Å; L814-F874 HydrophobicContact CD2-CE1 3.79Å; L814-F874 HydrophobicContact CD2-CZ 4.2Å; L814-F874 HydrophobicContact CG-CE1 4.32Å; L814-F874 HydrophobicContact CG-CZ 4.29Å; M815-F874 HydrophobicContact CE-CE2 3.39Å; M815-F874 HydrophobicContact CE-CZ 3.54Å; M815-F874 HydrophobicContact CG-CZ 4.29Å; L820-F874 HydrophobicContact CD2-CE2 3.42Å; L820-F874 VanDerWaalsContact CD2-CE2 3.42Å; L820-F874 HydrophobicContact CD2-CZ 3.62Å; I870-F874 HydrophobicContact CG2-CD2 4.24Å; I870-F874 HydrophobicContact CG2-CE2 4.33Å; I870-F874 WeakPolarHBondContact O-CD2 3.37Å; I870-F874 PolarHBondContact O-N 2.84Å; H871-F874 PolarHBondContact O-N 3.11Å; D872-F874 PolarHBondContact O-N 2.89Å; F874-R882 PolarHBondContact O-NH1 3.38Å |
| 875 | F | 92.9 | Very high | 94.8 | Very high | 153 Ų | 153 | 68.1 Ų | 68.1 | 67% | 0.671 | 37% | 0.368 | S | S | * | . | I | π-helix | trans | -114.3 | -27.6 | -167.1 | -58.8 | -74.1 | 0 | 0 | 0 | 114.1 | H871 | H871-F875 HydrophobicContact CB-CD2 4.47Å; H871-F875 AromaticContact CD2-CD2 3.48Å; H871-F875 VanDerWaalsContact CD2-CD2 3.48Å; H871-F875 WeakPolarHBondContact CD2-CD2 3.29Å; H871-F875 VanDerWaalsContact O-CD2 3.3Å; H871-F875 WeakPolarHBondContact O-CD2 3.28Å; H871-F875 PolarHBondContact O-N 2.98Å |
| 876 | V | 94.4 | Very high | 94.7 | Very high | 93 Ų | 93 | 65.5 Ų | 65.5 | 56% | 0.564 | 35% | 0.345 | S | S | * | . | I | π-helix | trans | -106 | -44.3 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | H871 D872 | H871-V876 VanDerWaalsContact CE1-CG2 3.5Å; H871-V876 WeakPolarHBondContact CE1-CG2 3.28Å; D872-V876 HydrophobicContact CB-CB 4.22Å; D872-V876 HydrophobicContact CB-CG2 4.4Å; D872-V876 PolarHBondContact O-N 3.27Å |
| 877 | M | 93 | Very high | 94.6 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 16% | 0.163 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -67.3 | 142.1 | -176.3 | -73.6 | -171.6 | 67 | 0 | 0 | 112.3 | D872 I873 E881 R882 I885 | D872-M877 WeakPolarHBondContact O-CB 3.36Å; D872-M877 WeakPolarHBondContact O-CG 3.37Å; D872-M877 PolarHBondContact O-N 3.4Å; I873-M877 HydrophobicContact CB-SD 4.09Å; I873-M877 HydrophobicContact CG1-SD 3.58Å; I873-M877 VanDerWaalsContact CG1-SD 3.58Å; I873-M877 HydrophobicContact CG2-SD 4.37Å; M877-E881 VanDerWaalsContact CA-OE2 3.31Å; M877-E881 WeakPolarHBondContact CA-OE2 3.36Å; M877-E881 WeakPolarHBondContact CB-OE2 3.28Å; M877-E881 HydrophobicContact CE-CB 3.42Å; M877-E881 VanDerWaalsContact CE-CB 3.42Å; M877-E881 HydrophobicContact CE-CG 4.25Å; M877-R882 HydrophobicContact CB-CG 4.48Å; M877-R882 PolarHBondContact O-NE 3.07Å; M877-R882 PolarHBondContact O-NH2 3.05Å; M877-I885 HydrophobicContact CE-CD1 3.86Å; M877-I885 HydrophobicContact SD-CD1 4.26Å |
| 878 | D | 94.7 | Very high | 94.4 | Very high | 105 Ų | 105 | 72.3 Ų | 72.3 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | trans | -67.9 | 163.9 | -177.1 | -86.9 | -32.2 | 0 | 0 | 0 | 113.1 | T880 E881 R882 | D878-T880 VanDerWaalsContact C-N 3.25Å; D878-T880 WeakPolarHBondContact CB-OG1 3.37Å; D878-T880 PolarHBondContact O-N 2.89Å; D878-E881 HydrophobicContact CB-CG 4.2Å; D878-E881 PolarHBondContact N-OE2 2.79Å; D878-E881 PolarHBondContact O-N 3.22Å; D878-R882 WeakPolarHBondContact O-CB 3.47Å; D878-R882 WeakPolarHBondContact O-CG 3.42Å; D878-R882 PolarHBondContact O-N 2.68Å; D878-R882 PolarHBondContact O-NE 2.71Å | ||
| 879 | A | 93.3 | Very high | 94.2 | Very high | 66 Ų | 66 | 66 Ų | 66 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -37.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | M883 | A879-M883 WeakPolarHBondContact O-CG 3.46Å; A879-M883 PolarHBondContact O-N 3Å |
| 880 | T | 94 | Very high | 94.1 | Very high | 101 Ų | 101 | 71.1 Ų | 71.1 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.3 | -50.3 | 175.9 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | D878 M883 S884 | D878-T880 VanDerWaalsContact C-N 3.25Å; D878-T880 WeakPolarHBondContact CB-OG1 3.37Å; D878-T880 PolarHBondContact O-N 2.89Å; T880-M883 PolarHBondContact O-N 2.81Å; T880-S884 PolarHBondContact O-N 3.32Å |
| 881 | E | 93.9 | Very high | 94 | Very high | 89 Ų | 89 | 72.2 Ų | 72.2 | 42% | 0.416 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 179.2 | -56 | -176.3 | 114.2 | 0 | 0 | 112 | M877 D878 M883 S884 I885 | M877-E881 VanDerWaalsContact CA-OE2 3.31Å; M877-E881 WeakPolarHBondContact CA-OE2 3.36Å; M877-E881 WeakPolarHBondContact CB-OE2 3.28Å; M877-E881 HydrophobicContact CE-CB 3.42Å; M877-E881 VanDerWaalsContact CE-CB 3.42Å; M877-E881 HydrophobicContact CE-CG 4.25Å; D878-E881 HydrophobicContact CB-CG 4.2Å; D878-E881 PolarHBondContact N-OE2 2.79Å; D878-E881 PolarHBondContact O-N 3.22Å; E881-M883 VanDerWaalsContact C-N 3.29Å; E881-M883 PolarHBondContact O-N 2.82Å; E881-S884 WeakPolarHBondContact O-CA 3.4Å; E881-S884 VanDerWaalsContact O-CB 3.29Å; E881-S884 WeakPolarHBondContact O-CB 3.35Å; E881-S884 PolarHBondContact O-N 2.88Å; E881-I885 WeakPolarHBondContact O-CG1 3.48Å; E881-I885 PolarHBondContact O-N 3.02Å |
| 882 | R | 94.8 | Very high | 93.8 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 26% | 0.26 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 172.9 | -76.3 | -179.9 | -99 | -160.7 | -8.7 | 112 | L814 I873 F874 M877 D878 S884 I885 L886 | L814-R882 HydrophobicContact CD2-CB 4.36Å; L814-R882 HydrophobicContact CD2-CG 3.97Å; I873-R882 VanDerWaalsContact O-CD 3.25Å; I873-R882 WeakPolarHBondContact O-CD 3.38Å; I873-R882 WeakPolarHBondContact O-CG 3.45Å; F874-R882 PolarHBondContact O-NH1 3.38Å; M877-R882 HydrophobicContact CB-CG 4.48Å; M877-R882 PolarHBondContact O-NE 3.07Å; M877-R882 PolarHBondContact O-NH2 3.05Å; D878-R882 WeakPolarHBondContact O-CB 3.47Å; D878-R882 WeakPolarHBondContact O-CG 3.42Å; D878-R882 PolarHBondContact O-N 2.68Å; D878-R882 PolarHBondContact O-NE 2.71Å; R882-S884 VanDerWaalsContact C-N 3.35Å; R882-I885 PolarHBondContact O-N 3.38Å; R882-L886 WeakPolarHBondContact O-CG 3.35Å; R882-L886 PolarHBondContact O-N 3.09Å; R882-L886 VanDerWaalsContact O-N 3.17Å |
| 883 | M | 95.3 | Very high | 93.5 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 38% | 0.384 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.9 | -32.9 | 173.5 | -69 | -47.6 | 101.5 | 0 | 0 | 112.1 | L810 A879 T880 E881 L886 H887 | L810-M883 HydrophobicContact CD1-CE 4.08Å; L810-M883 HydrophobicContact CD1-SD 4.45Å; L810-M883 HydrophobicContact CD2-CE 4.18Å; L810-M883 HydrophobicContact CD2-SD 4.13Å; A879-M883 WeakPolarHBondContact O-CG 3.46Å; A879-M883 PolarHBondContact O-N 3Å; T880-M883 PolarHBondContact O-N 2.81Å; E881-M883 VanDerWaalsContact C-N 3.29Å; E881-M883 PolarHBondContact O-N 2.82Å; M883-L886 HydrophobicContact CE-CD1 3.74Å; M883-L886 CarbonylContact O-C 3.58Å; M883-L886 PolarHBondContact O-N 2.87Å; M883-L886 HydrophobicContact SD-CD1 4.03Å; M883-H887 WeakPolarHBondContact O-CB 3.38Å; M883-H887 PolarHBondContact O-N 3.46Å |
| 884 | S | 94.8 | Very high | 93.4 | Very high | 75 Ų | 75 | 78.1 Ų | 78.1 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 173.2 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | T880 E881 R882 L886 H887 H888 | T880-S884 PolarHBondContact O-N 3.32Å; E881-S884 WeakPolarHBondContact O-CA 3.4Å; E881-S884 VanDerWaalsContact O-CB 3.29Å; E881-S884 WeakPolarHBondContact O-CB 3.35Å; E881-S884 PolarHBondContact O-N 2.88Å; R882-S884 VanDerWaalsContact C-N 3.35Å; S884-L886 VanDerWaalsContact C-N 3.34Å; S884-L886 PolarHBondContact O-N 3.22Å; S884-H887 PolarHBondContact O-N 2.87Å; S884-H888 PolarHBondContact O-N 3.42Å |
| 885 | I | 94 | Very high | 93.3 | Very high | 27 Ų | 27 | 80.7 Ų | 80.7 | 14% | 0.138 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 172.1 | -59.4 | 171 | 0 | 0 | 0 | 110.3 | L814 T817 K819 I873 M877 E881 R882 H887 H888 D889 | L814-I885 HydrophobicContact CD1-CB 4.17Å; L814-I885 HydrophobicContact CD1-CD1 4.41Å; L814-I885 HydrophobicContact CD1-CG2 3.96Å; T817-I885 HydrophobicContact CG2-CG2 4.03Å; K819-I885 HydrophobicContact CD-CD1 4.31Å; I873-I885 HydrophobicContact CG2-CD1 3.95Å; M877-I885 HydrophobicContact CE-CD1 3.86Å; M877-I885 HydrophobicContact SD-CD1 4.26Å; E881-I885 WeakPolarHBondContact O-CG1 3.48Å; E881-I885 PolarHBondContact O-N 3.02Å; R882-I885 PolarHBondContact O-N 3.38Å; I885-H887 VanDerWaalsContact C-N 3.34Å; I885-H887 PolarHBondContact O-N 3.49Å; I885-H888 PolarHBondContact O-N 2.84Å; I885-D889 WeakPolarHBondContact O-CB 3.35Å; I885-D889 PolarHBondContact O-N 3.08Å |
| 886 | L | 94.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67 | -31.3 | 177.5 | -69.5 | -178.7 | 0 | 0 | 0 | 113.4 | L810 R813 L814 T817 R882 M883 S884 R890 | L810-L886 HydrophobicContact CD2-CD1 3.75Å; R813-L886 HydrophobicContact CB-CD2 3.79Å; L814-L886 HydrophobicContact CB-CD2 4.38Å; L814-L886 HydrophobicContact CD1-CD2 4.27Å; L814-L886 HydrophobicContact CD1-CG 4.35Å; T817-L886 HydrophobicContact CG2-CD2 3.81Å; R882-L886 WeakPolarHBondContact O-CG 3.35Å; R882-L886 PolarHBondContact O-N 3.09Å; R882-L886 VanDerWaalsContact O-N 3.17Å; M883-L886 HydrophobicContact CE-CD1 3.74Å; M883-L886 CarbonylContact O-C 3.58Å; M883-L886 PolarHBondContact O-N 2.87Å; M883-L886 HydrophobicContact SD-CD1 4.03Å; S884-L886 VanDerWaalsContact C-N 3.34Å; S884-L886 PolarHBondContact O-N 3.22Å; L886-R890 VanDerWaalsContact O-CG 3.24Å; L886-R890 WeakPolarHBondContact O-CG 3.46Å; L886-R890 PolarHBondContact O-N 2.85Å |
| 887 | H | 93.2 | Very high | 93 | Very high | 108 Ų | 108 | 79 Ų | 79 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.6 | -50.6 | 173.3 | 176.3 | -101.5 | 0 | 0 | 0 | 110.4 | M883 S884 I885 D889 R890 E891 | M883-H887 WeakPolarHBondContact O-CB 3.38Å; M883-H887 PolarHBondContact O-N 3.46Å; S884-H887 PolarHBondContact O-N 2.87Å; I885-H887 VanDerWaalsContact C-N 3.34Å; I885-H887 PolarHBondContact O-N 3.49Å; H887-D889 VanDerWaalsContact C-N 3.3Å; H887-D889 PolarHBondContact O-N 3.31Å; H887-R890 WeakPolarHBondContact O-CA 3.46Å; H887-R890 WeakPolarHBondContact O-CB 3.49Å; H887-R890 PolarHBondContact O-N 3.09Å; H887-E891 PolarHBondContact O-N 2.88Å |
| 888 | H | 92.9 | Very high | 92.9 | Very high | 126 Ų | 126 | 82.3 Ų | 82.3 | 58% | 0.583 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.9 | -40.5 | 177.5 | -172 | 64.8 | 0 | 0 | 0 | 112.2 | S884 I885 R890 E891 V892 | S884-H888 PolarHBondContact O-N 3.42Å; I885-H888 PolarHBondContact O-N 2.84Å; H888-R890 VanDerWaalsContact C-N 3.32Å; H888-R890 PolarHBondContact O-N 3.05Å; H888-E891 PolarHBondContact O-N 3.13Å; H888-V892 WeakPolarHBondContact O-CB 3.31Å; H888-V892 VanDerWaalsContact O-CG2 3.31Å; H888-V892 WeakPolarHBondContact O-CG2 3.5Å; H888-V892 PolarHBondContact O-N 2.83Å |
| 889 | D | 93.9 | Very high | 92.5 | Very high | 14 Ų | 14 | 83.5 Ų | 83.5 | 8% | 0.075 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.7 | -31.7 | 174.8 | -173.7 | 86.8 | 0 | 0 | 0 | 113.2 | T817 I885 H887 R893 | T817-D889 WeakPolarHBondContact CA-OD1 3.3Å; T817-D889 HydrophobicContact CG2-CB 3.84Å; I885-D889 WeakPolarHBondContact O-CB 3.35Å; I885-D889 PolarHBondContact O-N 3.08Å; H887-D889 VanDerWaalsContact C-N 3.3Å; H887-D889 PolarHBondContact O-N 3.31Å; D889-R893 WeakPolarHBondContact O-CB 3.49Å; D889-R893 WeakPolarHBondContact O-CG 3.5Å; D889-R893 PolarHBondContact O-N 3.22Å; D889-R893 VanDerWaalsContact O-N 3.12Å; D889-R893 PolarHBondContact O-NE 3.05Å; D889-R893 PolarHBondContact O-NH2 2.86Å; D889-R893 IonicContact OD2-CZ 2.65Å; D889-R893 IonicContact OD2-NE 3.31Å; D889-R893 PolarHBondContact OD2-NE 2.9Å; D889-R893 IonicContact OD2-NH2 2.85Å; D889-R893 PolarHBondContact OD2-NH2 3.48Å |
| 890 | R | 92.9 | Very high | 92.2 | Very high | 127 Ų | 127 | 85.4 Ų | 85.4 | 48% | 0.479 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.6 | -48.8 | 170.8 | -68.8 | 164.2 | -166.7 | -158.9 | 4 | 111.1 | L886 H887 H888 R893 K894 | L886-R890 VanDerWaalsContact O-CG 3.24Å; L886-R890 WeakPolarHBondContact O-CG 3.46Å; L886-R890 PolarHBondContact O-N 2.85Å; H887-R890 WeakPolarHBondContact O-CA 3.46Å; H887-R890 WeakPolarHBondContact O-CB 3.49Å; H887-R890 PolarHBondContact O-N 3.09Å; H888-R890 VanDerWaalsContact C-N 3.32Å; H888-R890 PolarHBondContact O-N 3.05Å; R890-R893 PolarHBondContact O-N 3.45Å; R890-R893 VanDerWaalsContact O-N 3.16Å; R890-K894 PolarHBondContact O-N 3.49Å |
| 891 | E | 93.4 | Very high | 91.5 | Very high | 65 Ų | 65 | 84 Ų | 84 | 30% | 0.304 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | -177.8 | -58.5 | -41.9 | 100.9 | 0 | 0 | 111.9 | H887 H888 R893 K894 E895 | H887-E891 PolarHBondContact O-N 2.88Å; H888-E891 PolarHBondContact O-N 3.13Å; E891-R893 VanDerWaalsContact C-N 3.29Å; E891-R893 PolarHBondContact O-N 3.29Å; E891-K894 PolarHBondContact O-N 2.85Å; E891-K894 VanDerWaalsContact OE1-CE 3.24Å; E891-K894 WeakPolarHBondContact OE1-CE 3.37Å; E891-K894 IonicContact OE1-NZ 3.18Å; E891-K894 PolarHBondContact OE1-NZ 2.89Å; E891-K894 VanDerWaalsContact OE2-CD 3.32Å; E891-K894 WeakPolarHBondContact OE2-CD 3.38Å; E891-K894 IonicContact OE2-NZ 2.67Å; E891-K894 PolarHBondContact OE2-NZ 3.36Å; E891-E895 WeakPolarHBondContact O-CB 3.23Å; E891-E895 PolarHBondContact O-N 3.39Å |
| 892 | V | 91.6 | Very high | 90.7 | Very high | 32 Ų | 32 | 83.9 Ų | 83.9 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 172.3 | 168 | 0 | 0 | 0 | 0 | 111.5 | H888 K896 | H888-V892 WeakPolarHBondContact O-CB 3.31Å; H888-V892 VanDerWaalsContact O-CG2 3.31Å; H888-V892 WeakPolarHBondContact O-CG2 3.5Å; H888-V892 PolarHBondContact O-N 2.83Å; V892-K896 HydrophobicContact CG1-CD 3.94Å; V892-K896 HydrophobicContact CG1-CG 4.49Å; V892-K896 VanDerWaalsContact O-CB 3.31Å; V892-K896 WeakPolarHBondContact O-CB 3.24Å; V892-K896 WeakPolarHBondContact O-CD 3.45Å; V892-K896 WeakPolarHBondContact O-CG 3.34Å; V892-K896 PolarHBondContact O-N 3.4Å |
| 893 | R | 89 | Confident | 89.9 | Confident | 111 Ų | 111 | 88.1 Ų | 88.1 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.8 | -40.6 | 173.2 | -80.9 | -177.3 | -76.7 | 94.7 | 1.5 | 112.8 | D889 R890 E891 K896 M897 | D889-R893 WeakPolarHBondContact O-CB 3.49Å; D889-R893 WeakPolarHBondContact O-CG 3.5Å; D889-R893 PolarHBondContact O-N 3.22Å; D889-R893 VanDerWaalsContact O-N 3.12Å; D889-R893 PolarHBondContact O-NE 3.05Å; D889-R893 PolarHBondContact O-NH2 2.86Å; D889-R893 IonicContact OD2-CZ 2.65Å; D889-R893 IonicContact OD2-NE 3.31Å; D889-R893 PolarHBondContact OD2-NE 2.9Å; D889-R893 IonicContact OD2-NH2 2.85Å; D889-R893 PolarHBondContact OD2-NH2 3.48Å; R890-R893 PolarHBondContact O-N 3.45Å; R890-R893 VanDerWaalsContact O-N 3.16Å; E891-R893 VanDerWaalsContact C-N 3.29Å; E891-R893 PolarHBondContact O-N 3.29Å; R893-K896 PolarHBondContact O-N 3.13Å; R893-M897 PolarHBondContact O-N 2.82Å |
| 894 | K | 92.2 | Very high | 88.5 | Confident | 127 Ų | 127 | 91.1 Ų | 91.1 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.9 | -47.3 | 171.7 | -71.3 | 174.8 | -176.5 | 166.6 | 0 | 111 | R890 E891 M897 L898 | R890-K894 PolarHBondContact O-N 3.49Å; E891-K894 PolarHBondContact O-N 2.85Å; E891-K894 VanDerWaalsContact OE1-CE 3.24Å; E891-K894 WeakPolarHBondContact OE1-CE 3.37Å; E891-K894 IonicContact OE1-NZ 3.18Å; E891-K894 PolarHBondContact OE1-NZ 2.89Å; E891-K894 VanDerWaalsContact OE2-CD 3.32Å; E891-K894 WeakPolarHBondContact OE2-CD 3.38Å; E891-K894 IonicContact OE2-NZ 2.67Å; E891-K894 PolarHBondContact OE2-NZ 3.36Å; K894-M897 PolarHBondContact O-N 3.01Å; K894-L898 WeakPolarHBondContact O-CB 3.32Å; K894-L898 PolarHBondContact O-N 3.21Å |
| 895 | E | 91 | Very high | 87.2 | Confident | 88 Ų | 88 | 95.8 Ų | 95.8 | 41% | 0.411 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 179.2 | -162.7 | -162.6 | 171.3 | 0 | 0 | 111.7 | E891 M897 L898 R899 | E891-E895 WeakPolarHBondContact O-CB 3.23Å; E891-E895 PolarHBondContact O-N 3.39Å; E895-M897 VanDerWaalsContact C-N 3.3Å; E895-M897 PolarHBondContact O-N 3.17Å; E895-L898 PolarHBondContact O-N 3.21Å; E895-R899 HydrophobicContact CG-CG 4.45Å; E895-R899 VanDerWaalsContact O-CB 3.31Å; E895-R899 WeakPolarHBondContact O-CB 3.33Å; E895-R899 VanDerWaalsContact O-CG 3.27Å; E895-R899 WeakPolarHBondContact O-CG 3.28Å; E895-R899 PolarHBondContact O-N 2.85Å; E895-R899 IonicContact OE1-CZ 2.72Å; E895-R899 IonicContact OE1-NE 3.26Å; E895-R899 PolarHBondContact OE1-NE 2.81Å; E895-R899 IonicContact OE1-NH2 2.65Å; E895-R899 PolarHBondContact OE1-NH2 2.94Å |
| 896 | K | 91.4 | Very high | 84.8 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 41% | 0.413 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 173.2 | -76.8 | 166.7 | -178.2 | 171.5 | 0 | 111.6 | D818 V892 R893 Q900 | D818-K896 IonicContact OD2-NZ 3.16Å; D818-K896 PolarHBondContact OD2-NZ 2.76Å; V892-K896 HydrophobicContact CG1-CD 3.94Å; V892-K896 HydrophobicContact CG1-CG 4.49Å; V892-K896 VanDerWaalsContact O-CB 3.31Å; V892-K896 WeakPolarHBondContact O-CB 3.24Å; V892-K896 WeakPolarHBondContact O-CD 3.45Å; V892-K896 WeakPolarHBondContact O-CG 3.34Å; V892-K896 PolarHBondContact O-N 3.4Å; R893-K896 PolarHBondContact O-N 3.13Å; K896-Q900 WeakPolarHBondContact O-CG 3.39Å; K896-Q900 PolarHBondContact O-N 2.9Å |
| 897 | M | 89.6 | Confident | 82.6 | Confident | 115 Ų | 115 | 101.8 Ų | 101.8 | 57% | 0.567 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -74.4 | -41.3 | 175.5 | -73.2 | -162.9 | 73.4 | 0 | 0 | 113.2 | R893 K894 E895 R899 Q900 M901 | R893-M897 PolarHBondContact O-N 2.82Å; K894-M897 PolarHBondContact O-N 3.01Å; E895-M897 VanDerWaalsContact C-N 3.3Å; E895-M897 PolarHBondContact O-N 3.17Å; M897-R899 PolarHBondContact O-N 3.05Å; M897-Q900 CarbonylContact O-C 3.6Å; M897-Q900 WeakPolarHBondContact O-CA 3.45Å; M897-Q900 WeakPolarHBondContact O-CB 3.37Å; M897-Q900 PolarHBondContact O-N 3.06Å; M897-M901 WeakPolarHBondContact O-CG 3.36Å; M897-M901 PolarHBondContact O-N 2.64Å |
| 898 | L | 89.9 | Confident | 80.6 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 175.4 | -177.9 | 60 | 0 | 0 | 0 | 110.2 | K894 E895 Q900 M901 D902 | K894-L898 WeakPolarHBondContact O-CB 3.32Å; K894-L898 PolarHBondContact O-N 3.21Å; E895-L898 PolarHBondContact O-N 3.21Å; L898-Q900 PolarHBondContact O-N 3.38Å; L898-Q900 VanDerWaalsContact O-N 3.09Å; L898-M901 CarbonylContact O-C 3.56Å; L898-M901 WeakPolarHBondContact O-CA 3.45Å; L898-M901 WeakPolarHBondContact O-CB 3.25Å; L898-M901 PolarHBondContact O-N 2.91Å; L898-D902 PolarHBondContact O-N 3.28Å |
| 899 | R | 87.9 | Confident | 78.8 | Confident | 130 Ų | 130 | 106.3 Ų | 106.3 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -10.9 | 173.5 | -68.7 | 171.6 | 174.2 | -121.3 | 18 | 114.8 | E895 M897 K903 | E895-R899 HydrophobicContact CG-CG 4.45Å; E895-R899 VanDerWaalsContact O-CB 3.31Å; E895-R899 WeakPolarHBondContact O-CB 3.33Å; E895-R899 VanDerWaalsContact O-CG 3.27Å; E895-R899 WeakPolarHBondContact O-CG 3.28Å; E895-R899 PolarHBondContact O-N 2.85Å; E895-R899 IonicContact OE1-CZ 2.72Å; E895-R899 IonicContact OE1-NE 3.26Å; E895-R899 PolarHBondContact OE1-NE 2.81Å; E895-R899 IonicContact OE1-NH2 2.65Å; E895-R899 PolarHBondContact OE1-NH2 2.94Å; M897-R899 PolarHBondContact O-N 3.05Å; R899-K903 VanDerWaalsContact O-CD 3.27Å; R899-K903 WeakPolarHBondContact O-CD 3.3Å; R899-K903 VanDerWaalsContact O-CE 3.3Å; R899-K903 WeakPolarHBondContact O-CE 3.44Å; R899-K903 VanDerWaalsContact O-CG 3.29Å; R899-K903 WeakPolarHBondContact O-CG 3.32Å |
| 900 | Q | 86.9 | Confident | 77 | Confident | 105 Ų | 105 | 110.4 Ų | 110.4 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -90.7 | -41.2 | 167.8 | -77.1 | 174.6 | -4.7 | 0 | 0 | 110.8 | K896 M897 L898 D902 K903 M904 | K896-Q900 WeakPolarHBondContact O-CG 3.39Å; K896-Q900 PolarHBondContact O-N 2.9Å; M897-Q900 CarbonylContact O-C 3.6Å; M897-Q900 WeakPolarHBondContact O-CA 3.45Å; M897-Q900 WeakPolarHBondContact O-CB 3.37Å; M897-Q900 PolarHBondContact O-N 3.06Å; L898-Q900 PolarHBondContact O-N 3.38Å; L898-Q900 VanDerWaalsContact O-N 3.09Å; Q900-D902 VanDerWaalsContact C-N 3.34Å; Q900-D902 PolarHBondContact O-N 2.96Å; Q900-K903 WeakPolarHBondContact O-CB 3.38Å; Q900-K903 PolarHBondContact O-N 3.2Å; Q900-M904 WeakPolarHBondContact O-CG 3.07Å; Q900-M904 PolarHBondContact O-N 3.07Å; Q900-M904 VanDerWaalsContact O-N 3.07Å |
| 901 | M | 78.8 | Confident | 75.5 | Confident | 71 Ų | 71 | 108.1 Ų | 108.1 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 172.5 | -65 | -61 | 96 | 0 | 0 | 111.5 | M897 L898 K903 M904 K905 | M897-M901 WeakPolarHBondContact O-CG 3.36Å; M897-M901 PolarHBondContact O-N 2.64Å; L898-M901 CarbonylContact O-C 3.56Å; L898-M901 WeakPolarHBondContact O-CA 3.45Å; L898-M901 WeakPolarHBondContact O-CB 3.25Å; L898-M901 PolarHBondContact O-N 2.91Å; M901-K903 PolarHBondContact O-N 3.3Å; M901-M904 HydrophobicContact CE-SD 3.61Å; M901-M904 CarbonylContact O-C 3.59Å; M901-M904 PolarHBondContact O-N 2.82Å; M901-K905 VanDerWaalsContact O-CB 3.27Å; M901-K905 WeakPolarHBondContact O-CB 3.21Å; M901-K905 VanDerWaalsContact O-CG 3.3Å; M901-K905 WeakPolarHBondContact O-CG 3.47Å; M901-K905 PolarHBondContact O-N 3.49Å |
| 902 | D | 77.8 | Confident | 74.3 | Confident | 87 Ų | 87 | 108.9 Ų | 108.9 | 47% | 0.465 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -33.9 | 176.1 | -59.9 | -28.4 | 0 | 0 | 0 | 112.3 | L898 Q900 S906 | L898-D902 PolarHBondContact O-N 3.28Å; Q900-D902 VanDerWaalsContact C-N 3.34Å; Q900-D902 PolarHBondContact O-N 2.96Å; D902-S906 PolarHBondContact O-N 2.95Å |
| 903 | K | 76.7 | Confident | 73 | Confident | 158 Ų | 158 | 111.5 Ų | 111.5 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.5 | -29.6 | 175 | -66.4 | 171.7 | -174.9 | -176 | 0 | 112.8 | R899 Q900 M901 | R899-K903 VanDerWaalsContact O-CD 3.27Å; R899-K903 WeakPolarHBondContact O-CD 3.3Å; R899-K903 VanDerWaalsContact O-CE 3.3Å; R899-K903 WeakPolarHBondContact O-CE 3.44Å; R899-K903 VanDerWaalsContact O-CG 3.29Å; R899-K903 WeakPolarHBondContact O-CG 3.32Å; Q900-K903 WeakPolarHBondContact O-CB 3.38Å; Q900-K903 PolarHBondContact O-N 3.2Å; M901-K903 PolarHBondContact O-N 3.3Å |
| 904 | M | 66.3 | Low | 71.9 | Confident | 141 Ų | 141 | 109.9 Ų | 109.9 | 70% | 0.695 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -87.9 | -35.7 | -179.9 | -71.3 | 176.8 | 166.6 | 0 | 0 | 112.5 | Q900 M901 S906 | Q900-M904 WeakPolarHBondContact O-CG 3.07Å; Q900-M904 PolarHBondContact O-N 3.07Å; Q900-M904 VanDerWaalsContact O-N 3.07Å; M901-M904 HydrophobicContact CE-SD 3.61Å; M901-M904 CarbonylContact O-C 3.59Å; M901-M904 PolarHBondContact O-N 2.82Å; M904-S906 PolarHBondContact O-N 2.81Å |
| 905 | K | 67.1 | Low | 71.2 | Confident | 173 Ų | 173 | 107 Ų | 107 | 75% | 0.752 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -74.7 | -11.6 | 174.8 | -69.2 | -177.9 | 175.2 | -167 | 0 | 113.2 | M901 | M901-K905 VanDerWaalsContact O-CB 3.27Å; M901-K905 WeakPolarHBondContact O-CB 3.21Å; M901-K905 VanDerWaalsContact O-CG 3.3Å; M901-K905 WeakPolarHBondContact O-CG 3.47Å; M901-K905 PolarHBondContact O-N 3.49Å |
| 906 | S | 44.3 | Very low | 70.7 | Confident | 44 Ų | 44 | 106.4 Ų | 106.4 | 31% | 0.308 | 57% | 0.57 | S | S | . | * | trans | -133.8 | 77.2 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 111 | D902 M904 R908 | D902-S906 PolarHBondContact O-N 2.95Å; M904-S906 PolarHBondContact O-N 2.81Å; S906-R908 PolarHBondContact O-N 3.15Å | ||
| 907 | P | 48.8 | Very low | 70.2 | Confident | 118 Ų | 118 | 108.3 Ų | 108.3 | 77% | 0.766 | 58% | 0.578 | S | S | * | * | trans | -70.2 | 24.8 | 166.6 | 33.9 | -36.8 | 0 | 0 | 0 | 112.6 | V909 | P907-V909 PolarHBondContact O-N 3.03Š| ||
| 908 | R | 50.5 | Low | 69.7 | Low | 207 Ų | 207 | 106.3 Ų | 106.3 | 78% | 0.781 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -71.7 | 116 | 165.4 | -75.2 | -175.9 | -76.8 | -135.6 | -2.4 | 108 | S906 A910 | S906-R908 PolarHBondContact O-N 3.15Å; R908-A910 PolarHBondContact O-N 3.3Å |
| 909 | V | 55.5 | Low | 69.3 | Low | 122 Ų | 122 | 104.9 Ų | 104.9 | 74% | 0.739 | 57% | 0.568 | S | S | * | * | trans | -25.1 | 125.8 | 167.4 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | P907 L911 | P907-V909 PolarHBondContact O-N 3.03Å; V909-L911 HydrophobicContact CG1-CD2 4.48Å; V909-L911 PolarHBondContact O-N 3.04Å | ||
| 910 | A | 54.9 | Low | 68.8 | Low | 99 Ų | 99 | 101.1 Ų | 101.1 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | trans | -70.1 | 75.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R908 S912 | R908-A910 PolarHBondContact O-N 3.3Å; A910-S912 PolarHBondContact O-N 3.38Å; A910-S912 VanDerWaalsContact O-N 3.12Å | ||
| 911 | L | 62.3 | Low | 68.5 | Low | 80 Ų | 80 | 104.3 Ų | 104.3 | 42% | 0.419 | 57% | 0.565 | S | S | . | * | trans | -55.7 | 117.7 | 174.4 | -63.6 | -178.4 | 0 | 0 | 0 | 108.6 | V909 T915 L919 | V909-L911 HydrophobicContact CG1-CD2 4.48Å; V909-L911 PolarHBondContact O-N 3.04Å; L911-T915 HydrophobicContact CB-CG2 4.43Å; L911-T915 HydrophobicContact CD2-CG2 4.24Å; L911-L919 HydrophobicContact CD1-CD1 3.75Å | ||
| 912 | S | 67.1 | Low | 68.7 | Low | 81 Ų | 81 | 107.6 Ų | 107.6 | 57% | 0.566 | 58% | 0.577 | S | S | * | * | trans | -46.1 | 144.9 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | A910 A914 T915 Q916 | A910-S912 PolarHBondContact O-N 3.38Å; A910-S912 VanDerWaalsContact O-N 3.12Å; S912-A914 CarbonylContact O-C 3.58Å; S912-A914 PolarHBondContact O-N 3.37Å; S912-T915 WeakPolarHBondContact O-CA 3.38Å; S912-T915 WeakPolarHBondContact O-CB 3.5Å; S912-T915 PolarHBondContact O-N 3.43Å; S912-Q916 PolarHBondContact O-N 3.21Å | ||
| 913 | A | 66 | Low | 68.8 | Low | 87 Ų | 87 | 109.1 Ų | 109.1 | 72% | 0.719 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55.7 | -25.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K917 | A913-K917 WeakPolarHBondContact O-CB 3.35Å; A913-K917 PolarHBondContact O-N 3.45Å; A913-K917 VanDerWaalsContact O-N 3.15Å |
| 914 | A | 65.6 | Low | 68.5 | Low | 77 Ų | 77 | 110.1 Ų | 110.1 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.9 | -47.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S912 K917 S918 | S912-A914 CarbonylContact O-C 3.58Å; S912-A914 PolarHBondContact O-N 3.37Å; A914-K917 PolarHBondContact O-N 3.14Å; A914-S918 WeakPolarHBondContact O-CB 3.36Å; A914-S918 PolarHBondContact O-N 3.17Å |
| 915 | T | 76.7 | Confident | 68.8 | Low | 67 Ų | 67 | 109.6 Ų | 109.6 | 41% | 0.411 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -42.8 | 178.2 | -43.6 | 0 | 0 | 0 | 0 | 112 | L911 S912 S918 L919 | L911-T915 HydrophobicContact CB-CG2 4.43Å; L911-T915 HydrophobicContact CD2-CG2 4.24Å; S912-T915 WeakPolarHBondContact O-CA 3.38Å; S912-T915 WeakPolarHBondContact O-CB 3.5Å; S912-T915 PolarHBondContact O-N 3.43Å; T915-S918 WeakPolarHBondContact O-CB 3.49Å; T915-S918 PolarHBondContact O-N 3.1Å; T915-L919 PolarHBondContact O-N 3.12Å |
| 916 | Q | 79.7 | Confident | 69.1 | Low | 75 Ų | 75 | 106.8 Ų | 106.8 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.9 | -48.3 | 173.4 | -177.7 | 60 | 40.4 | 0 | 0 | 111 | S912 S918 L919 D920 | S912-Q916 PolarHBondContact O-N 3.21Å; Q916-S918 PolarHBondContact O-N 2.91Å; Q916-L919 PolarHBondContact O-N 2.82Å; Q916-D920 VanDerWaalsContact NE2-CG 3.26Å; Q916-D920 PolarHBondContact NE2-OD1 2.93Å; Q916-D920 VanDerWaalsContact NE2-OD1 3.1Å; Q916-D920 PolarHBondContact NE2-OD2 3.35Å; Q916-D920 PolarHBondContact O-N 3.47Å |
| 917 | K | 81.6 | Confident | 70.2 | Confident | 134 Ų | 134 | 106.8 Ų | 106.8 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.4 | -26 | 177.5 | -169.7 | 174.8 | -176.1 | 179.2 | 0 | 113.2 | A913 A914 R921 | A913-K917 WeakPolarHBondContact O-CB 3.35Å; A913-K917 PolarHBondContact O-N 3.45Å; A913-K917 VanDerWaalsContact O-N 3.15Å; A914-K917 PolarHBondContact O-N 3.14Å; K917-R921 WeakPolarHBondContact O-CB 3.45Å; K917-R921 WeakPolarHBondContact O-CD 3.3Å; K917-R921 VanDerWaalsContact O-CG 3.25Å; K917-R921 WeakPolarHBondContact O-CG 3.45Å; K917-R921 PolarHBondContact O-N 2.77Å |
| 918 | S | 80.2 | Confident | 71 | Confident | 74 Ų | 74 | 104.5 Ų | 104.5 | 52% | 0.517 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.4 | -49.7 | 170.4 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | A914 T915 Q916 D920 R921 K922 | A914-S918 WeakPolarHBondContact O-CB 3.36Å; A914-S918 PolarHBondContact O-N 3.17Å; T915-S918 WeakPolarHBondContact O-CB 3.49Å; T915-S918 PolarHBondContact O-N 3.1Å; Q916-S918 PolarHBondContact O-N 2.91Å; S918-D920 PolarHBondContact O-N 3.05Å; S918-R921 WeakPolarHBondContact O-CB 3.49Å; S918-R921 PolarHBondContact O-N 2.96Å; S918-K922 PolarHBondContact O-N 3.09Å |
| 919 | L | 80.5 | Confident | 71.5 | Confident | 73 Ų | 73 | 101.4 Ų | 101.4 | 38% | 0.382 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.5 | -42.6 | 176 | -91.6 | 170 | 0 | 0 | 0 | 112.4 | L911 T915 Q916 K922 K923 | L911-L919 HydrophobicContact CD1-CD1 3.75Å; T915-L919 PolarHBondContact O-N 3.12Å; Q916-L919 PolarHBondContact O-N 2.82Å; L919-K922 CarbonylContact O-C 3.6Å; L919-K922 WeakPolarHBondContact O-CB 3.34Å; L919-K922 PolarHBondContact O-N 2.83Å; L919-K922 VanDerWaalsContact O-N 3.16Å; L919-K923 WeakPolarHBondContact O-CG 3.5Å; L919-K923 PolarHBondContact O-N 3.34Å |
| 920 | D | 78.4 | Confident | 71.6 | Confident | 50 Ų | 50 | 101.9 Ų | 101.9 | 27% | 0.267 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 178.8 | -64.3 | -31.5 | 0 | 0 | 0 | 111.5 | Q916 S918 K923 Y924 | Q916-D920 VanDerWaalsContact NE2-CG 3.26Å; Q916-D920 PolarHBondContact NE2-OD1 2.93Å; Q916-D920 VanDerWaalsContact NE2-OD1 3.1Å; Q916-D920 PolarHBondContact NE2-OD2 3.35Å; Q916-D920 PolarHBondContact O-N 3.47Å; S918-D920 PolarHBondContact O-N 3.05Å; D920-K923 PolarHBondContact O-N 2.69Å; D920-K923 IonicContact OD1-NZ 2.94Å; D920-K923 PolarHBondContact OD1-NZ 2.92Å; D920-Y924 WeakPolarHBondContact O-CD2 3.39Å; D920-Y924 PolarHBondContact O-N 2.72Å |
| 921 | R | 80.1 | Confident | 71.7 | Confident | 173 Ų | 173 | 100 Ų | 100 | 65% | 0.653 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 167.5 | -79.5 | 172.9 | 172.9 | -117.8 | -9.8 | 112.1 | K917 S918 K923 Y924 M925 | K917-R921 WeakPolarHBondContact O-CB 3.45Å; K917-R921 WeakPolarHBondContact O-CD 3.3Å; K917-R921 VanDerWaalsContact O-CG 3.25Å; K917-R921 WeakPolarHBondContact O-CG 3.45Å; K917-R921 PolarHBondContact O-N 2.77Å; S918-R921 WeakPolarHBondContact O-CB 3.49Å; S918-R921 PolarHBondContact O-N 2.96Å; R921-K923 VanDerWaalsContact C-N 3.33Å; R921-K923 PolarHBondContact O-N 3.34Å; R921-Y924 PolarHBondContact O-N 2.99Å; R921-M925 VanDerWaalsContact O-CG 3.25Å; R921-M925 WeakPolarHBondContact O-CG 3.26Å; R921-M925 PolarHBondContact O-N 3.02Å |
| 922 | K | 82.4 | Confident | 71.2 | Confident | 140 Ų | 140 | 102.6 Ų | 102.6 | 61% | 0.609 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -36.2 | 176.5 | -169.4 | 171.8 | -177.5 | 175 | 0 | 112.1 | S918 L919 K926 | S918-K922 PolarHBondContact O-N 3.09Å; L919-K922 CarbonylContact O-C 3.6Å; L919-K922 WeakPolarHBondContact O-CB 3.34Å; L919-K922 PolarHBondContact O-N 2.83Å; L919-K922 VanDerWaalsContact O-N 3.16Å; K922-K926 WeakPolarHBondContact O-CB 3.35Å; K922-K926 PolarHBondContact O-N 2.89Å |
| 923 | K | 79.5 | Confident | 70.2 | Confident | 118 Ų | 118 | 104 Ų | 104 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -46.7 | 171.8 | -69.4 | 171.7 | -165.2 | 160.5 | 0 | 111.9 | L919 D920 R921 M925 K926 A927 | L919-K923 WeakPolarHBondContact O-CG 3.5Å; L919-K923 PolarHBondContact O-N 3.34Å; D920-K923 PolarHBondContact O-N 2.69Å; D920-K923 IonicContact OD1-NZ 2.94Å; D920-K923 PolarHBondContact OD1-NZ 2.92Å; R921-K923 VanDerWaalsContact C-N 3.33Å; R921-K923 PolarHBondContact O-N 3.34Å; K923-M925 VanDerWaalsContact C-N 3.31Å; K923-M925 PolarHBondContact O-N 3.22Å; K923-K926 PolarHBondContact O-N 3.26Å; K923-A927 VanDerWaalsContact O-CB 3.28Å; K923-A927 WeakPolarHBondContact O-CB 3.3Å; K923-A927 PolarHBondContact O-N 2.73Å |
| 924 | Y | 71.8 | Confident | 69.1 | Low | 180 Ų | 180 | 105.8 Ų | 105.8 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.7 | -37 | 176.7 | -83.9 | -69.1 | 0 | 0 | 0 | 112.3 | D920 R921 A927 A928 | D920-Y924 WeakPolarHBondContact O-CD2 3.39Å; D920-Y924 PolarHBondContact O-N 2.72Å; R921-Y924 PolarHBondContact O-N 2.99Å; Y924-A927 PolarHBondContact O-N 3.47Å; Y924-A928 PolarHBondContact O-N 2.6Å; Y924-A928 VanDerWaalsContact O-N 3.14Å |
| 925 | M | 71.6 | Confident | 68.6 | Low | 129 Ų | 129 | 110.9 Ų | 110.9 | 64% | 0.635 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.9 | -47.5 | 174.3 | -62.1 | -82.6 | 69.1 | 0 | 0 | 111.6 | R921 K923 A927 A928 E929 | R921-M925 VanDerWaalsContact O-CG 3.25Å; R921-M925 WeakPolarHBondContact O-CG 3.26Å; R921-M925 PolarHBondContact O-N 3.02Å; K923-M925 VanDerWaalsContact C-N 3.31Å; K923-M925 PolarHBondContact O-N 3.22Å; M925-A927 VanDerWaalsContact C-N 3.27Å; M925-A927 PolarHBondContact O-N 3.43Å; M925-A928 PolarHBondContact O-N 3.26Å; M925-A928 VanDerWaalsContact O-N 3.11Å; M925-E929 VanDerWaalsContact O-CB 3.27Å; M925-E929 WeakPolarHBondContact O-CB 3.3Å; M925-E929 PolarHBondContact O-N 3.07Å |
| 926 | K | 72.9 | Confident | 67.6 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 50% | 0.5 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.7 | -36.4 | 172.1 | -85.7 | -119.7 | 166.1 | -166.9 | 0 | 113.1 | K922 K923 A928 E929 M930 | K922-K926 WeakPolarHBondContact O-CB 3.35Å; K922-K926 PolarHBondContact O-N 2.89Å; K923-K926 PolarHBondContact O-N 3.26Å; K926-A928 VanDerWaalsContact C-N 3.33Å; K926-E929 PolarHBondContact O-N 2.95Å; K926-M930 VanDerWaalsContact O-CB 3.29Å; K926-M930 WeakPolarHBondContact O-CB 3.15Å; K926-M930 WeakPolarHBondContact O-CG 3.41Å; K926-M930 PolarHBondContact O-N 2.92Å |
| 927 | A | 68.8 | Low | 65.6 | Low | 43 Ų | 43 | 122 Ų | 122 | 36% | 0.355 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.4 | -28.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | K923 Y924 M925 | K923-A927 VanDerWaalsContact O-CB 3.28Å; K923-A927 WeakPolarHBondContact O-CB 3.3Å; K923-A927 PolarHBondContact O-N 2.73Å; Y924-A927 PolarHBondContact O-N 3.47Å; M925-A927 VanDerWaalsContact C-N 3.27Å; M925-A927 PolarHBondContact O-N 3.43Å |
| 928 | A | 64.5 | Low | 63.6 | Low | 71 Ų | 71 | 123.6 Ų | 123.6 | 59% | 0.587 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.4 | -37.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y924 M925 K926 G931 | Y924-A928 PolarHBondContact O-N 2.6Å; Y924-A928 VanDerWaalsContact O-N 3.14Å; M925-A928 PolarHBondContact O-N 3.26Å; M925-A928 VanDerWaalsContact O-N 3.11Å; K926-A928 VanDerWaalsContact C-N 3.33Å; A928-G931 PolarHBondContact O-N 2.92Å |
| 929 | E | 61.8 | Low | 61.5 | Low | 141 Ų | 141 | 125.9 Ų | 125.9 | 66% | 0.659 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.6 | -39.4 | 178.4 | -176 | 178.9 | -139.2 | 0 | 0 | 112.3 | M925 K926 G931 | M925-E929 VanDerWaalsContact O-CB 3.27Å; M925-E929 WeakPolarHBondContact O-CB 3.3Å; M925-E929 PolarHBondContact O-N 3.07Å; K926-E929 PolarHBondContact O-N 2.95Å; E929-G931 PolarHBondContact O-N 3.27Å |
| 930 | M | 57.8 | Low | 59.4 | Low | 132 Ų | 132 | 130.7 Ų | 130.7 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 13.2 | 178.9 | -63.8 | -69.1 | -61.5 | 0 | 0 | 114 | K926 M932 | K926-M930 VanDerWaalsContact O-CB 3.29Å; K926-M930 WeakPolarHBondContact O-CB 3.15Å; K926-M930 WeakPolarHBondContact O-CG 3.41Å; K926-M930 PolarHBondContact O-N 2.92Å; M930-M932 PolarHBondContact O-N 3.34Å |
| 931 | G | 57.4 | Low | 57.3 | Low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.7 | 2.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | A928 E929 P933 | A928-G931 PolarHBondContact O-N 2.92Å; E929-G931 PolarHBondContact O-N 3.27Å; G931-P933 WeakPolarHBondContact O-CD 3.02Å |
| 932 | M | 50.3 | Low | 54.8 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | trans | -68.3 | 121.1 | -172.3 | -68.5 | -61.3 | -72.3 | 0 | 0 | 112.1 | M930 N934 | M930-M932 PolarHBondContact O-N 3.34Å; M932-N934 PolarHBondContact O-N 3.05Å | ||
| 933 | P | 46.4 | Very low | 52.6 | Low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | trans | -76.3 | 83.8 | -171.5 | 30.5 | -36 | 0 | 0 | 0 | 112.3 | G931 K935 | G931-P933 WeakPolarHBondContact O-CD 3.02Å; P933-K935 VanDerWaalsContact C-N 3.27Å; P933-K935 PolarHBondContact O-N 3.46Å | ||
| 934 | N | 43.2 | Very low | 50.3 | Low | 125 Ų | 125 | 134.6 Ų | 134.6 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | trans | -65.4 | 81.9 | 170.5 | -89.4 | -72.9 | 0 | 0 | 0 | 111.3 | M932 K936 | M932-N934 PolarHBondContact O-N 3.05Å; N934-K936 PolarHBondContact O-N 2.91Å | ||
| 935 | K | 54.7 | Low | 48.5 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 124.2 | 172.9 | -72.5 | -178.3 | 177.6 | 175.9 | 0 | 109.8 | P933 | P933-K935 VanDerWaalsContact C-N 3.27Å; P933-K935 PolarHBondContact O-N 3.46Å |
| 936 | K | 55.9 | Low | 46.8 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.8 | 53.7 | 167.1 | -46.5 | 177.3 | -172.8 | 179.2 | 0 | 118.4 | N934 | N934-K936 PolarHBondContact O-N 2.91Š|
| 937 | F | 37.9 | Very low | 45.1 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | -124.7 | 85.9 | 148.8 | -78.8 | -68.9 | 0 | 0 | 0 | 111.8 | V939 | F937-V939 PolarHBondContact O-N 3.29Š| ||
| 938 | L | 39.8 | Very low | 43.3 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | -80.5 | 67.2 | 177.9 | -158.2 | 144.3 | 0 | 0 | 0 | 110.5 | K940 | L938-K940 PolarHBondContact O-N 2.78Š| ||
| 939 | V | 35.9 | Very low | 42 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -78.6 | 109.7 | 170.4 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | F937 Q941 | F937-V939 PolarHBondContact O-N 3.29Å; V939-Q941 PolarHBondContact O-N 2.84Å | ||
| 940 | K | 35.2 | Very low | 40.7 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -51 | 114.6 | 172.8 | -90.1 | -171.3 | 172 | -175.6 | 0 | 110.3 | L938 | L938-K940 PolarHBondContact O-N 2.78Š| ||
| 941 | Q | 34.5 | Very low | 39.8 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 124.7 | 154 | -67.8 | -171.1 | 5.9 | 0 | 0 | 107.9 | V939 | V939-Q941 PolarHBondContact O-N 2.84Š|
| 942 | N | 28.9 | Very low | 38.6 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 131.3 | 155.7 | -66.4 | -17.7 | 0 | 0 | 0 | 106.2 | ||
| 943 | P | 36.3 | Very low | 38 | Very low | 125 Ų | 125 | 158.7 Ų | 158.7 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.9 | 177.6 | 28.7 | -34.4 | 0 | 0 | 0 | 111 | ||
| 944 | S | 30.2 | Very low | 37.3 | Very low | 123 Ų | 123 | 157 Ų | 157 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -88.9 | 108.7 | 178.7 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 945 | E | 34.3 | Very low | 37.1 | Very low | 192 Ų | 192 | 159.9 Ų | 159.9 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | -71.8 | 153.5 | 172.3 | -71.4 | -169.7 | 124.9 | 0 | 0 | 112.9 | ||||
| 946 | T | 36.3 | Very low | 36.1 | Very low | 132 Ų | 132 | 159.1 Ų | 159.1 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | -91.3 | 128.4 | -175.1 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 947 | R | 37.2 | Very low | 35 | Very low | 231 Ų | 231 | 154 Ų | 154 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | 50.2 | 108.4 | 140.2 | -175.3 | -151.7 | -68.7 | -165.3 | -2.2 | 118.4 | ||||
| 948 | V | 31.7 | Very low | 34.9 | Very low | 143 Ų | 143 | 151.9 Ų | 151.9 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | -140.5 | 146.2 | 127.5 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 949 | L | 35.2 | Very low | 34.6 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -114.9 | 128.1 | 168.4 | -91.3 | 167 | 0 | 0 | 0 | 109 | ||||
| 950 | Q | 35.3 | Very low | 34.4 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -164.4 | 171.4 | 154.6 | -117.4 | -176.1 | 31.1 | 0 | 0 | 111.1 | ||||
| 951 | P | 39.4 | Very low | 34.2 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 71% | 0.714 | 83% | 0.833 | S | S | * | * | -118.1 | -163 | -106 | 42.9 | -31.2 | 0 | 0 | 0 | 115.4 | |||||
| 952 | N | 32.2 | Very low | 34.2 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -63 | 174.8 | -166.6 | -53.3 | -76.3 | 0 | 0 | 0 | 116.6 | ||||
| 953 | Q | 36.6 | Very low | 34.4 | Very low | 200 Ų | 200 | 154.3 Ų | 154.3 | 94% | 0.935 | 83% | 0.831 | S | S | * | * | trans | 98.3 | 138.4 | 172.2 | -57.4 | 175.5 | -1.8 | 0 | 0 | 114.5 | ||||
| 954 | G | 32.7 | Very low | 34.2 | Very low | 75 Ų | 75 | 154.5 Ų | 154.5 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | cis | 162.4 | 14.2 | -4.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 955 | Q | 38.7 | Very low | 34.4 | Very low | 184 Ų | 184 | 160.3 Ų | 160.3 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -147.2 | 135.7 | -178.6 | -83.5 | 165.5 | -5 | 0 | 0 | 110.5 | ||||
| 956 | N | 32.9 | Very low | 34.3 | Very low | 170 Ų | 170 | 160.2 Ų | 160.2 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | trans | 168.9 | 70.2 | 150.9 | -91.2 | -37.7 | 0 | 0 | 0 | 110.1 | ||||
| 957 | A | 32.8 | Very low | 34 | Very low | 84 Ų | 84 | 157.1 Ų | 157.1 | 69% | 0.694 | 83% | 0.832 | S | S | * | * | trans | -89 | 136.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V959 | A957-V959 PolarHBondContact O-N 2.8Š| ||
| 958 | P | 36.2 | Very low | 33.7 | Very low | 137 Ų | 137 | 153 Ų | 153 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | trans | -68.7 | 114.6 | 179 | -18.3 | 32 | 0 | 0 | 0 | 111.1 | ||||
| 959 | V | 33.1 | Very low | 34.3 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -86.9 | 129.6 | 176.4 | 177.5 | 0 | 0 | 0 | 0 | 110 | A957 | A957-V959 PolarHBondContact O-N 2.8Š| ||
| 960 | H | 32.9 | Very low | 34.1 | Very low | 161 Ų | 161 | 153 Ų | 153 | 75% | 0.745 | 83% | 0.825 | S | S | * | * | trans | -66.2 | 129.4 | 177.6 | -161.5 | -99.9 | 0 | 0 | 0 | 110.7 | ||||
| 961 | R | 31.1 | Very low | 34.3 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -118.5 | 110.1 | -171.7 | -165.9 | -178.4 | -160.9 | 161.4 | 5.3 | 110.8 | ||||
| 962 | L | 33.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 68% | 0.681 | 83% | 0.826 | S | S | * | * | trans | -126.5 | 127.7 | 172.9 | -80.8 | 171.9 | 0 | 0 | 0 | 111.5 | ||||
| 963 | L | 33.6 | Very low | 34 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | 45.3 | 92.1 | 144.8 | -54.6 | 176.5 | 0 | 0 | 0 | 118.2 | ||||
| 964 | S | 32.5 | Very low | 34 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 130 | 154.7 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 965 | R | 35.3 | Very low | 34 | Very low | 245 Ų | 245 | 149 Ų | 149 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 154.7 | 168.8 | -142.5 | 173.5 | -170.4 | -90 | 3.4 | 110 | ||
| 966 | Q | 31.2 | Very low | 33.5 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 172.6 | 176.5 | -84.1 | -149.2 | 18.9 | 0 | 0 | 113.5 | ||
| 967 | G | 30.3 | Very low | 33.4 | Very low | 67 Ų | 67 | 144.6 Ų | 144.6 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -63.3 | -170.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 968 | T | 30.7 | Very low | 33.5 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | cis | -146.2 | 173.9 | 44.3 | 34.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 969 | P | 45.5 | Very low | 33.2 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -107.8 | -168.7 | -158.3 | 42.6 | -37.3 | 0 | 0 | 0 | 115.9 | ||||
| 970 | K | 30.6 | Very low | 33.1 | Very low | 200 Ų | 200 | 151.5 Ų | 151.5 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | 102.3 | 144.2 | 177.3 | -61.7 | 169.6 | -177.6 | 177.7 | 0 | 112.9 | ||||
| 971 | T | 38.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | cis | -132.9 | 159.2 | -0.8 | 38.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 972 | S | 30.9 | Very low | 33.1 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -93.1 | 148.5 | 164.9 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 973 | V | 34.7 | Very low | 33.5 | Very low | 132 Ų | 132 | 149.4 Ų | 149.4 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -132.4 | 119.4 | 174.2 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 974 | K | 36.5 | Very low | 33.3 | Very low | 202 Ų | 202 | 146.4 Ų | 146.4 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -85.2 | 155.4 | 157 | -84.6 | 176.5 | 172.4 | 175.9 | 0 | 108.1 | ||||
| 975 | G | 33.2 | Very low | 33.3 | Very low | 63 Ų | 63 | 148.2 Ų | 148.2 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | cis | 172.6 | -129.7 | 7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 976 | V | 28.7 | Very low | 33 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 77.8 | 141 | 171.5 | -173.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 977 | V | 30.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | cis | -169.2 | 164.3 | -44.5 | 118.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 978 | Q | 35.2 | Very low | 33 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | 86.7 | 120 | 156.1 | -101.9 | 174 | 76.5 | 0 | 0 | 124.1 | ||||
| 979 | N | 30.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | 79.4 | 135.5 | 126.1 | -105.8 | -31.5 | 0 | 0 | 0 | 125.8 | |||||
| 980 | R | 29.7 | Very low | 33.3 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 28.2 | 134.6 | 144.4 | -78.6 | 172 | 167.7 | -172.9 | -3.8 | 119.6 | ||||
| 981 | Q | 29.8 | Very low | 33.5 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | -165.7 | 179.6 | 51.8 | -129.7 | 158.9 | 3.1 | 0 | 0 | 113.4 | |||||
| 982 | K | 35.4 | Very low | 33.5 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -116.8 | 167.2 | 170.4 | -64.3 | -171.2 | -179.4 | -177.4 | 0 | 110.2 | ||||
| 983 | P | 42 | Very low | 34.3 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | -102.3 | -159.5 | 61.3 | 38.4 | -40.7 | 0 | 0 | 0 | 113.7 | |||||
| 984 | S | 28.9 | Very low | 34.3 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | cis | -142.6 | -177.9 | 5.3 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 985 | Q | 31.6 | Very low | 34 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | cis | 78.5 | 149 | 10.2 | -62 | -125.2 | 91.1 | 0 | 0 | 116.2 | ||||
| 986 | S | 29.8 | Very low | 33.9 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | cis | -169 | 159.2 | -3.4 | 143.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 987 | R | 30 | Very low | 34 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | cis | 178.4 | 102.8 | -19 | 179.1 | -177.4 | 174.5 | -168.9 | -1.9 | 112.9 | ||||
| 988 | V | 31.3 | Very low | 33.9 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | 68.8 | 174 | 145.2 | 104.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 989 | P | 53 | Low | 33.8 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 60% | 0.597 | 77% | 0.765 | S | S | * | * | cis | -138.8 | -157.3 | -24.5 | 43.6 | -24.5 | 0 | 0 | 0 | 115.9 | ||||
| 990 | N | 29.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 93.1 | 135.9 | 159.5 | -69.3 | -29.7 | 0 | 0 | 0 | 118.4 | ||||
| 991 | R | 33.7 | Very low | 33.9 | Very low | 226 Ų | 226 | 138.7 Ų | 138.7 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | cis | -143.4 | 135.2 | 8.2 | -119.9 | 174 | -170.5 | 176.6 | 2.3 | 112.6 | ||||
| 992 | V | 39 | Very low | 33.9 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | trans | 9.9 | 136.6 | 133.9 | 178.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 993 | P | 48.2 | Very low | 33.7 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -112.1 | -149.9 | 34.4 | 6.6 | 19.6 | 0 | 0 | 0 | 114.8 | ||||
| 994 | V | 33.1 | Very low | 33.2 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | cis | -152.1 | 179.1 | 15.3 | -141.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 995 | S | 31 | Very low | 33.3 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -79.3 | 157.2 | 172.3 | -171.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 996 | G | 30.3 | Very low | 33.5 | Very low | 62 Ų | 62 | 146.6 Ų | 146.6 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | cis | 160.3 | 151.3 | -11.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 997 | V | 31.5 | Very low | 34.5 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | 80.8 | 102.9 | 140.1 | -179.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 998 | Y | 28.3 | Very low | 34.4 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | 73.4 | 137.3 | 135.2 | -88.1 | -114.3 | 0 | 0 | 0 | 125.7 | ||||
| 999 | A | 33.4 | Very low | 34.5 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | trans | 60.8 | 161.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1000 | G | 28.8 | Very low | 33.6 | Very low | 66 Ų | 66 | 142.9 Ų | 142.9 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | cis | 134.1 | 137.4 | -12.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1001 | K | 32.5 | Very low | 33.8 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | 72.6 | 121.8 | 167.9 | -63.9 | -179.5 | 177.5 | 176.2 | 0 | 116.2 | ||||
| 1002 | I | 31 | Very low | 34.1 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | 89.4 | 129.2 | 91.4 | -71.6 | 169.4 | 0 | 0 | 0 | 114.6 | |||||
| 1003 | Q | 30.4 | Very low | 33.9 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 22.8 | 140.3 | 153.6 | -55.1 | 170.5 | 3.4 | 0 | 0 | 119.7 | ||||
| 1004 | R | 31.6 | Very low | 33.1 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | -175.3 | 147.6 | 83.7 | -95.4 | 172.3 | 178.8 | 177.8 | -0.6 | 115.3 | |||||
| 1005 | K | 31.7 | Very low | 33.2 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 62.4 | 134.1 | 142.4 | -67 | -175.3 | 175.2 | -171.8 | 0 | 122.8 | ||||
| 1006 | R | 35.6 | Very low | 33.3 | Very low | 228 Ų | 228 | 147.7 Ų | 147.7 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -39.3 | 166.2 | 145.4 | -71 | -175.6 | -178.5 | -171.9 | 1 | 113.8 | ||||
| 1007 | P | 49.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 153.1 Ų | 153.1 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -153.4 | 173.5 | 36.8 | 45.2 | -24.7 | 0 | 0 | 0 | 120.8 | ||||
| 1008 | N | 29 | Very low | 33.6 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 42.9 | 164.5 | 137.2 | -58.3 | 6.7 | 0 | 0 | 0 | 124 | ||||
| 1009 | V | 32.4 | Very low | 34 | Very low | 127 Ų | 127 | 150 Ų | 150 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 73.5 | 110.4 | 167.2 | -161.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1010 | A | 34.7 | Very low | 34 | Very low | 86 Ų | 86 | 154.2 Ų | 154.2 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 80.3 | 150.9 | 44.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1011 | T | 34.8 | Very low | 34.4 | Very low | 132 Ų | 132 | 161.5 Ų | 161.5 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | 60.1 | 146.2 | -164.1 | 23.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1012 | I | 40 | Very low | 34.6 | Very low | 235 Ų | 235 | 158.5 Ų | 158.5 | 100% | 1.205 | 80% | 0.802 | S | S | * | * | cis | -112.3 | 0 | 2.5 | -59.3 | 174.6 | 0 | 0 | 0 | 109.5 |
Retrieved 1,012 of 1,012 residues in 125.7 ms
(Link to these results)