| 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 | 26.2 | Very low | 31.8 | Very low | 245 Ų | 245 | 156.4 Ų | 156.4 | 100% | 1.207 | 80% | 0.801 | S | S | * | * | 0 | 87.5 | 0 | -65.9 | -173.7 | 76.6 | 0 | 0 | 105.7 | |||||
| 2 | Q | 23.4 | Very low | 33.5 | Very low | 179 Ų | 179 | 158.9 Ų | 158.9 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -143.1 | 18.5 | -160.7 | -157.6 | 165.2 | -14.8 | 0 | 0 | 112.3 | ||||
| 3 | N | 29.5 | Very low | 35.4 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -122.9 | 47.4 | -172.8 | -57.8 | 58.6 | 0 | 0 | 0 | 109.9 | ||||
| 4 | H | 31.7 | Very low | 38.3 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -143.1 | 9.4 | 179.4 | -108.8 | -56.7 | 0 | 0 | 0 | 114.9 | ||
| 5 | E | 29.6 | Very low | 41.4 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -110.9 | -7.9 | 178.9 | -68.4 | -175.9 | 132.7 | 0 | 0 | 114 | G7 | E5-G7 VanDerWaalsContact C-N 3.3Å; E5-G7 PolarHBondContact O-N 2.77Å |
| 6 | K | 31.6 | Very low | 44 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 73.9 | 167.5 | -75.8 | -154.1 | 167.6 | -131 | 0 | 111.8 | E789 | K6-E789 WeakPolarHBondContact CE-OE1 3.46Å; K6-E789 WeakPolarHBondContact CE-OE2 3.5Å; K6-E789 VanDerWaalsContact NZ-CD 3.28Å; K6-E789 IonicContact NZ-OE1 2.64Å; K6-E789 IonicContact NZ-OE2 3.73Å; K6-E789 PolarHBondContact NZ-OE2 3.35Å |
| 7 | G | 31.6 | Very low | 46.6 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171 | 10.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117 | E5 | E5-G7 VanDerWaalsContact C-N 3.3Å; E5-G7 PolarHBondContact O-N 2.77Å |
| 8 | K | 30.9 | Very low | 49.1 | Very low | 200 Ų | 200 | 127.4 Ų | 127.4 | 87% | 0.87 | 66% | 0.656 | S | S | * | * | trans | -142.6 | 45.1 | 176.2 | -70.1 | -159.4 | 173.9 | -167.4 | 0 | 113.5 | ||||
| 9 | E | 33.1 | Very low | 51.4 | Low | 154 Ų | 154 | 122.6 Ų | 122.6 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | trans | -76.1 | 172.9 | 157.7 | -73.8 | 161 | -163.5 | 0 | 0 | 109.8 | ||||
| 10 | N | 36.5 | Very low | 53.6 | Low | 173 Ų | 173 | 116.5 Ų | 116.5 | 93% | 0.925 | 60% | 0.599 | S | S | * | * | trans | 69 | 20.5 | -171.6 | -56.1 | -20.7 | 0 | 0 | 0 | 116.7 | ||||
| 11 | G | 45.3 | Very low | 55.5 | Low | 46 Ų | 46 | 113.2 Ų | 113.2 | 47% | 0.474 | 58% | 0.582 | S | S | . | * | trans | -93.9 | 98.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D13 | G11-D13 PolarHBondContact O-N 3.28Š| ||
| 12 | Q | 52.1 | Low | 58.7 | Low | 187 Ų | 187 | 102.9 Ų | 102.9 | 87% | 0.874 | 53% | 0.532 | S | S | * | . | trans | -55 | 119.6 | 175.2 | -72.8 | 173.6 | -33.9 | 0 | 0 | 110.5 | T14 | Q12-T14 PolarHBondContact O-N 3.15Š| ||
| 13 | D | 58.9 | Low | 62 | Low | 70 Ų | 70 | 94.6 Ų | 94.6 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | trans | -79.9 | 102.6 | -174.8 | -132.3 | 54.7 | 0 | 0 | 0 | 109.4 | G11 L15 S33 R35 | G11-D13 PolarHBondContact O-N 3.28Å; D13-L15 PolarHBondContact O-N 3.46Å; D13-L15 VanDerWaalsContact O-N 3.11Å; D13-S33 WeakPolarHBondContact OD2-CB 3.45Å; D13-S33 PolarHBondContact OD2-OG 3.5Å; D13-R35 VanDerWaalsContact OD1-CD 3.23Å; D13-R35 WeakPolarHBondContact OD1-CD 3.44Å; D13-R35 IonicContact OD1-CZ 3.28Å; D13-R35 IonicContact OD1-NE 3.43Å; D13-R35 PolarHBondContact OD1-NE 3.04Å; D13-R35 VanDerWaalsContact OD1-NE 3.14Å; D13-R35 IonicContact OD1-NH1 3.68Å; D13-R35 PolarHBondContact OD1-NH1 3.36Å; D13-R35 IonicContact OD1-NH2 3.95Å | ||
| 14 | T | 75.2 | Confident | 64.8 | Low | 79 Ų | 79 | 91.6 Ų | 91.6 | 49% | 0.485 | 48% | 0.477 | S | S | . | . | trans | -63.6 | 115.2 | -175.1 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | Q12 E34 | Q12-T14 PolarHBondContact O-N 3.15Å; T14-E34 WeakPolarHBondContact CB-OE1 3.26Å; T14-E34 PolarHBondContact O-N 2.81Å; T14-E34 VanDerWaalsContact OG1-CD 3.3Å; T14-E34 WeakPolarHBondContact OG1-CG 3.4Å; T14-E34 PolarHBondContact OG1-OE1 3.43Å | ||
| 15 | L | 85.1 | Confident | 67.4 | Low | 132 Ų | 132 | 85.1 Ų | 85.1 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 148.9 | 174 | -64.6 | 179.6 | 0 | 0 | 0 | 110.9 | D13 L32 | D13-L15 PolarHBondContact O-N 3.46Å; D13-L15 VanDerWaalsContact O-N 3.11Å; L15-L32 CarbonylContact C-O 3.54Å |
| 16 | V | 83.2 | Confident | 70.2 | Confident | 13 Ų | 13 | 79.4 Ų | 79.4 | 8% | 0.079 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.4 | -173.1 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | V18 C31 L32 E34 L77 L81 | V16-V18 HydrophobicContact CB-CG2 4.4Å; V16-V18 HydrophobicContact CG1-CG2 3.87Å; V16-V18 PolarHBondContact O-N 2.84Å; V16-C31 WeakPolarHBondContact O-CA 3.4Å; V16-L32 WeakPolarHBondContact CB-O 3.32Å; V16-L32 PolarHBondContact N-O 3.22Å; V16-L32 PolarHBondContact O-N 3.11Å; V16-E34 HydrophobicContact CG2-CB 4.14Å; V16-E34 HydrophobicContact CG2-CG 3.28Å; V16-L77 HydrophobicContact CB-CD2 4.24Å; V16-L77 HydrophobicContact CG1-CD2 4.05Å; V16-L77 HydrophobicContact CG2-CD2 4.49Å; V16-L81 HydrophobicContact CB-CD1 4.41Å; V16-L81 HydrophobicContact CG1-CD1 3.84Å; V16-L81 HydrophobicContact CG1-CD2 3.72Å; V16-L81 HydrophobicContact CG1-CG 4.34Å; V16-L81 HydrophobicContact CG2-CD1 3.67Å |
| 17 | D | 88.8 | Confident | 73.1 | Confident | 92 Ų | 92 | 75.7 Ų | 75.7 | 49% | 0.492 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116 | 167.8 | -68.3 | -33.7 | 0 | 0 | 0 | 110.4 | C31 P88 L89 | D17-C31 PolarHBondContact OD1-SG 3.38Å; D17-P88 HydrophobicContact CB-CB 4.1Å; D17-L89 PolarHBondContact O-N 3.45Å |
| 18 | V | 90.8 | Very high | 76 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.9 | -179.7 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | V16 V20 K29 F30 L41 L77 L89 L91 | V16-V18 HydrophobicContact CB-CG2 4.4Å; V16-V18 HydrophobicContact CG1-CG2 3.87Å; V16-V18 PolarHBondContact O-N 2.84Å; V18-V20 HydrophobicContact CG1-CG2 4.11Å; V18-K29 CarbonylContact O-C 3.5Å; V18-K29 WeakPolarHBondContact O-CA 3.5Å; V18-F30 PolarHBondContact N-O 3.25Å; V18-F30 PolarHBondContact O-N 2.71Å; V18-L41 HydrophobicContact CG1-CD1 4.25Å; V18-L41 HydrophobicContact CG1-CD2 3.94Å; V18-L77 HydrophobicContact CG2-CD2 3.66Å; V18-L89 HydrophobicContact CG1-CD2 4.42Å; V18-L89 HydrophobicContact CG1-CG 4.45Å; V18-L89 HydrophobicContact CG2-CD2 4.44Å; V18-L91 HydrophobicContact CG1-CD1 3.53Å; V18-L91 HydrophobicContact CG1-CG 4.01Å |
| 19 | H | 93.6 | Very high | 79 | Confident | 36 Ų | 36 | 70 Ų | 70 | 17% | 0.167 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 107.8 | 179.9 | -77.2 | -155.4 | 0 | 0 | 0 | 108.9 | T27 L89 E90 L91 | H19-T27 HydrophobicContact CB-CG2 3.92Å; H19-L89 PolarHBondContact N-O 3.14Å; H19-E90 HydrophobicContact CB-CG 4.46Å; H19-E90 WeakPolarHBondContact O-CA 3.44Å; H19-L91 PolarHBondContact O-N 3.02Å |
| 20 | V | 94.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 107.7 | -179.7 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | V18 L22 A28 F30 L41 V45 L59 L91 F93 | V18-V20 HydrophobicContact CG1-CG2 4.11Å; V20-L22 HydrophobicContact CG1-CD2 4.25Å; V20-L22 PolarHBondContact O-N 2.97Å; V20-A28 PolarHBondContact N-O 3.43Å; V20-A28 PolarHBondContact O-N 3.48Å; V20-F30 HydrophobicContact CB-CD2 4.41Å; V20-F30 HydrophobicContact CB-CE2 4.05Å; V20-F30 HydrophobicContact CG2-CD2 3.85Å; V20-F30 HydrophobicContact CG2-CE2 3.86Å; V20-L41 HydrophobicContact CG2-CD1 4.3Å; V20-V45 HydrophobicContact CB-CG2 4.25Å; V20-V45 HydrophobicContact CG1-CG1 4.22Å; V20-V45 HydrophobicContact CG1-CG2 3.98Å; V20-V45 HydrophobicContact CG2-CG2 3.88Å; V20-L59 HydrophobicContact CG1-CD2 3.61Å; V20-L59 HydrophobicContact CG2-CD2 4.48Å; V20-L91 CarbonylContact C-O 3.28Å; V20-L91 WeakPolarHBondContact CA-O 3.47Å; V20-L91 HydrophobicContact CG2-CB 4.38Å; V20-L91 HydrophobicContact CG2-CD1 4.37Å; V20-F93 HydrophobicContact CG1-CB 4.17Å |
| 21 | I | 94.4 | Very high | 84.3 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 121 | 173.2 | -53.5 | 176.4 | 0 | 0 | 0 | 108.5 | L91 L92 F93 | I21-L91 PolarHBondContact N-O 3.36Å; I21-L92 HydrophobicContact CB-CD2 4.4Å; I21-L92 HydrophobicContact CB-CG 4.31Å; I21-L92 HydrophobicContact CD1-CD2 4.42Å; I21-L92 HydrophobicContact CD1-CG 4.43Å; I21-L92 HydrophobicContact CG2-CD2 4.47Å; I21-F93 PolarHBondContact O-N 3.39Å |
| 22 | L | 93.9 | Very high | 86.4 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | trans | -87.7 | 164.7 | 178.7 | -59.3 | -179.3 | 0 | 0 | 0 | 111.6 | V20 D24 G25 V26 A28 V45 I49 F93 | V20-L22 HydrophobicContact CG1-CD2 4.25Å; V20-L22 PolarHBondContact O-N 2.97Å; L22-D24 VanDerWaalsContact CB-OD1 3.27Å; L22-D24 WeakPolarHBondContact CB-OD1 3.39Å; L22-D24 PolarHBondContact O-N 3.31Å; L22-G25 PolarHBondContact O-N 3.18Å; L22-V26 VanDerWaalsContact CB-O 3.28Å; L22-V26 WeakPolarHBondContact CB-O 3.42Å; L22-V26 HydrophobicContact CD1-CB 4.44Å; L22-V26 WeakPolarHBondContact CG-O 3.41Å; L22-V26 PolarHBondContact N-O 2.85Å; L22-A28 HydrophobicContact CD1-CB 4.4Å; L22-V45 HydrophobicContact CD2-CG1 4.27Å; L22-I49 HydrophobicContact CD1-CG1 4.47Å; L22-I49 HydrophobicContact CD2-CD1 3.82Å; L22-I49 HydrophobicContact CD2-CG1 4.07Å; L22-F93 HydrophobicContact CD2-CB 4.06Å; L22-F93 HydrophobicContact CD2-CG 4.43Å | ||
| 23 | L | 91.3 | Very high | 88.1 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20 | -173 | -77.3 | 168.3 | 0 | 0 | 0 | 114.6 | F57 F93 L113 L116 Q117 R119 N120 | L23-F57 HydrophobicContact CD1-CE1 4.4Å; L23-F93 HydrophobicContact CD1-CD1 3.92Å; L23-F93 HydrophobicContact CD1-CE1 4.02Å; L23-F93 WeakPolarHBondContact CD2-O 3.33Å; L23-F93 HydrophobicContact CG-CD1 4.09Å; L23-F93 WeakPolarHBondContact CG-O 3.35Å; L23-L113 HydrophobicContact CB-CD2 4.31Å; L23-L113 HydrophobicContact CD1-CB 4.1Å; L23-L113 HydrophobicContact CD1-CD2 4.16Å; L23-L116 HydrophobicContact CB-CB 4.02Å; L23-L116 HydrophobicContact CB-CD1 4.21Å; L23-Q117 HydrophobicContact CD2-CB 4.1Å; L23-R119 PolarHBondContact O-NH2 2.98Å; L23-N120 PolarHBondContact O-ND2 3.36Å |
| 24 | D | 88.2 | Confident | 89.3 | Confident | 69 Ų | 69 | 50 Ų | 50 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21.5 | 171.8 | 59.4 | -4.6 | 0 | 0 | 0 | 112.9 | L22 V26 L116 | L22-D24 VanDerWaalsContact CB-OD1 3.27Å; L22-D24 WeakPolarHBondContact CB-OD1 3.39Å; L22-D24 PolarHBondContact O-N 3.31Å; D24-V26 WeakPolarHBondContact OD1-CB 3.26Å; D24-V26 PolarHBondContact OD1-N 3Å; D24-V26 WeakPolarHBondContact OD2-CG2 3.06Å; D24-L116 HydrophobicContact CB-CD1 4.18Å |
| 25 | G | 86.6 | Confident | 89.8 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 55% | 0.546 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 110 | -2.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L22 | L22-G25 PolarHBondContact O-N 3.18Š|
| 26 | V | 90.1 | Very high | 89.9 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 42% | 0.418 | 27% | 0.266 | S | S | . | . | trans | -75.5 | 131.9 | 179.5 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | L22 D24 | L22-V26 VanDerWaalsContact CB-O 3.28Å; L22-V26 WeakPolarHBondContact CB-O 3.42Å; L22-V26 HydrophobicContact CD1-CB 4.44Å; L22-V26 WeakPolarHBondContact CG-O 3.41Å; L22-V26 PolarHBondContact N-O 2.85Å; D24-V26 WeakPolarHBondContact OD1-CB 3.26Å; D24-V26 PolarHBondContact OD1-N 3Å; D24-V26 WeakPolarHBondContact OD2-CG2 3.06Å | ||
| 27 | T | 92.5 | Very high | 90.3 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.4 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | H19 | H19-T27 HydrophobicContact CB-CG2 3.92Å |
| 28 | A | 91.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 113.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V20 L22 F30 K48 | V20-A28 PolarHBondContact N-O 3.43Å; V20-A28 PolarHBondContact O-N 3.48Å; L22-A28 HydrophobicContact CD1-CB 4.4Å; A28-F30 HydrophobicContact CB-CD2 4.46Å; A28-F30 HydrophobicContact CB-CE2 3.59Å; A28-F30 HydrophobicContact CB-CZ 4.03Å; A28-F30 WeakPolarHBondContact O-CD2 3.19Å; A28-F30 WeakPolarHBondContact O-CE2 3.5Å; A28-K48 HydrophobicContact CB-CD 4.12Å |
| 29 | K | 92.5 | Very high | 90.4 | Very high | 146 Ų | 146 | 49.6 Ų | 49.6 | 64% | 0.635 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 143.2 | 171.1 | -55.1 | -171.1 | -178.6 | -174.7 | 0 | 111 | V18 | V18-K29 CarbonylContact O-C 3.5Å; V18-K29 WeakPolarHBondContact O-CA 3.5Å |
| 30 | F | 91.7 | Very high | 90.3 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 13% | 0.132 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 134.6 | 172 | -58.4 | -94.1 | 0 | 0 | 0 | 109.2 | V18 V20 A28 L41 L44 V45 K48 | V18-F30 PolarHBondContact N-O 3.25Å; V18-F30 PolarHBondContact O-N 2.71Å; V20-F30 HydrophobicContact CB-CD2 4.41Å; V20-F30 HydrophobicContact CB-CE2 4.05Å; V20-F30 HydrophobicContact CG2-CD2 3.85Å; V20-F30 HydrophobicContact CG2-CE2 3.86Å; A28-F30 HydrophobicContact CB-CD2 4.46Å; A28-F30 HydrophobicContact CB-CE2 3.59Å; A28-F30 HydrophobicContact CB-CZ 4.03Å; A28-F30 WeakPolarHBondContact O-CD2 3.19Å; A28-F30 WeakPolarHBondContact O-CE2 3.5Å; F30-L41 HydrophobicContact CB-CD1 4.34Å; F30-L41 HydrophobicContact CD2-CD1 4.23Å; F30-L41 HydrophobicContact CG-CD1 4.27Å; F30-L44 HydrophobicContact CD1-CB 4.21Å; F30-L44 HydrophobicContact CE1-CB 3.96Å; F30-V45 HydrophobicContact CD2-CG2 4.44Å; F30-V45 HydrophobicContact CE2-CG2 3.65Å; F30-V45 HydrophobicContact CZ-CB 4.49Å; F30-V45 HydrophobicContact CZ-CG2 3.75Å; F30-K48 HydrophobicContact CE1-CD 4.35Å; F30-K48 HydrophobicContact CZ-CD 3.97Å |
| 31 | C | 89.7 | Confident | 90.3 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121 | 173.8 | -51.7 | 0 | 0 | 0 | 0 | 108.2 | V16 D17 | V16-C31 WeakPolarHBondContact O-CA 3.4Å; D17-C31 PolarHBondContact OD1-SG 3.38Å |
| 32 | L | 89.2 | Confident | 90.3 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 13% | 0.131 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 153.9 | -174.3 | -65.5 | 174.9 | 0 | 0 | 0 | 111.6 | L15 V16 L41 L44 | L15-L32 CarbonylContact C-O 3.54Å; V16-L32 WeakPolarHBondContact CB-O 3.32Å; V16-L32 PolarHBondContact N-O 3.22Å; V16-L32 PolarHBondContact O-N 3.11Å; L32-L41 HydrophobicContact CD1-CB 3.81Å; L32-L41 HydrophobicContact CD1-CD1 3.75Å; L32-L41 HydrophobicContact CD1-CG 4.27Å; L32-L44 HydrophobicContact CD1-CD1 4.22Å; L32-L44 HydrophobicContact CD2-CD1 3.71Å |
| 33 | S | 87.7 | Confident | 90.2 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 141.7 | 170.5 | 165.8 | 0 | 0 | 0 | 0 | 111.7 | D13 R35 C36 | D13-S33 WeakPolarHBondContact OD2-CB 3.45Å; D13-S33 PolarHBondContact OD2-OG 3.5Å; S33-R35 PolarHBondContact O-N 3.17Å; S33-R35 WeakPolarHBondContact OG-CB 3.36Å; S33-R35 PolarHBondContact OG-N 2.91Å; S33-C36 WeakPolarHBondContact O-CB 3.4Å; S33-C36 PolarHBondContact O-N 3.3Å |
| 34 | E | 85.1 | Confident | 90.3 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -28.7 | 169.4 | -85.8 | -161.1 | -120.4 | 0 | 0 | 113.4 | T14 V16 L77 T78 L81 | T14-E34 WeakPolarHBondContact CB-OE1 3.26Å; T14-E34 PolarHBondContact O-N 2.81Å; T14-E34 VanDerWaalsContact OG1-CD 3.3Å; T14-E34 WeakPolarHBondContact OG1-CG 3.4Å; T14-E34 PolarHBondContact OG1-OE1 3.43Å; V16-E34 HydrophobicContact CG2-CB 4.14Å; V16-E34 HydrophobicContact CG2-CG 3.28Å; E34-L77 PolarHBondContact O-N 3Å; E34-T78 HydrophobicContact CB-CG2 3.84Å; E34-T78 WeakPolarHBondContact O-CG2 3.32Å; E34-T78 PolarHBondContact O-N 2.93Å; E34-T78 WeakPolarHBondContact OE2-CG2 3.39Å; E34-L81 HydrophobicContact CG-CD1 3.79Å |
| 35 | R | 84.5 | Confident | 90.5 | Very high | 160 Ų | 160 | 51.6 Ų | 51.6 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -20.1 | -176.4 | -59 | 177.6 | 178.1 | 170.2 | -2.8 | 113.3 | D13 S33 | D13-R35 VanDerWaalsContact OD1-CD 3.23Å; D13-R35 WeakPolarHBondContact OD1-CD 3.44Å; D13-R35 IonicContact OD1-CZ 3.28Å; D13-R35 IonicContact OD1-NE 3.43Å; D13-R35 PolarHBondContact OD1-NE 3.04Å; D13-R35 VanDerWaalsContact OD1-NE 3.14Å; D13-R35 IonicContact OD1-NH1 3.68Å; D13-R35 PolarHBondContact OD1-NH1 3.36Å; D13-R35 IonicContact OD1-NH2 3.95Å; S33-R35 PolarHBondContact O-N 3.17Å; S33-R35 WeakPolarHBondContact OG-CB 3.36Å; S33-R35 PolarHBondContact OG-N 2.91Å |
| 36 | C | 88.6 | Confident | 90.7 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 24% | 0.243 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -56.9 | 145.5 | 178 | -69 | 0 | 0 | 0 | 0 | 112.1 | S33 P76 L77 | S33-C36 WeakPolarHBondContact O-CB 3.4Å; S33-C36 PolarHBondContact O-N 3.3Å; C36-P76 CarbonylContact O-C 3.53Å; C36-P76 VanDerWaalsContact O-CA 3.27Å; C36-P76 WeakPolarHBondContact O-CA 3.48Å; C36-L77 PolarHBondContact O-N 3.17Å |
| 37 | L | 91.1 | Very high | 90.7 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 152.3 | 177.6 | -58.1 | 177.1 | 0 | 0 | 0 | 110.9 | L39 D40 L41 K75 | L37-L39 HydrophobicContact CB-CB 4.35Å; L37-L39 PolarHBondContact O-N 2.91Å; L37-D40 WeakPolarHBondContact CA-OD2 3.39Å; L37-D40 VanDerWaalsContact CB-OD2 3.3Å; L37-D40 WeakPolarHBondContact CB-OD2 3.46Å; L37-D40 PolarHBondContact N-OD2 2.96Å; L37-D40 PolarHBondContact O-N 3.16Å; L37-L41 PolarHBondContact O-N 3.05Å; L37-K75 WeakPolarHBondContact CA-O 3.42Å |
| 38 | G | 89.7 | Confident | 90.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.5 | -21.7 | 170 | 0 | 0 | 0 | 0 | 0 | 113.4 | F42 K75 | G38-F42 VanDerWaalsContact O-CB 3.26Å; G38-F42 WeakPolarHBondContact O-CB 3.49Å; G38-F42 PolarHBondContact O-N 3.32Å; G38-F42 VanDerWaalsContact O-N 3.14Å; G38-K75 PolarHBondContact N-O 3.38Å |
| 39 | L | 92.2 | Very high | 90.4 | Very high | 50 Ų | 50 | 58.9 Ų | 58.9 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 171.4 | -176.2 | 57.4 | 0 | 0 | 0 | 112.5 | L37 F42 N43 N73 V311 | L37-L39 HydrophobicContact CB-CB 4.35Å; L37-L39 PolarHBondContact O-N 2.91Å; L39-F42 PolarHBondContact O-N 2.98Å; L39-N43 WeakPolarHBondContact O-CB 3.39Å; L39-N43 PolarHBondContact O-N 2.82Å; L39-N43 PolarHBondContact O-ND2 3.5Å; L39-N43 PolarHBondContact O-OD1 2.83Å; L39-N73 HydrophobicContact CB-CB 3.96Å; L39-N73 WeakPolarHBondContact CB-O 3.28Å; L39-N73 HydrophobicContact CD1-CB 4.26Å; L39-N73 PolarHBondContact N-O 3.04Å; L39-N73 VanDerWaalsContact N-O 3.17Å; L39-V311 HydrophobicContact CD2-CG2 4.38Å |
| 40 | D | 92.3 | Very high | 90 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.4 | -46.2 | -172.3 | -50.8 | -38.4 | 0 | 0 | 0 | 109.9 | L37 F42 N43 L44 | L37-D40 WeakPolarHBondContact CA-OD2 3.39Å; L37-D40 VanDerWaalsContact CB-OD2 3.3Å; L37-D40 WeakPolarHBondContact CB-OD2 3.46Å; L37-D40 PolarHBondContact N-OD2 2.96Å; L37-D40 PolarHBondContact O-N 3.16Å; D40-F42 PolarHBondContact O-N 3.09Å; D40-N43 PolarHBondContact O-N 3.39Å; D40-L44 WeakPolarHBondContact O-CG 3.41Å; D40-L44 PolarHBondContact O-N 3.11Å |
| 41 | L | 93 | Very high | 89.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -44.3 | 169 | 172.9 | 61.5 | 0 | 0 | 0 | 112.1 | V18 V20 F30 L32 L37 N43 L44 V45 L59 L77 L91 | V18-L41 HydrophobicContact CG1-CD1 4.25Å; V18-L41 HydrophobicContact CG1-CD2 3.94Å; V20-L41 HydrophobicContact CG2-CD1 4.3Å; F30-L41 HydrophobicContact CB-CD1 4.34Å; F30-L41 HydrophobicContact CD2-CD1 4.23Å; F30-L41 HydrophobicContact CG-CD1 4.27Å; L32-L41 HydrophobicContact CD1-CB 3.81Å; L32-L41 HydrophobicContact CD1-CD1 3.75Å; L32-L41 HydrophobicContact CD1-CG 4.27Å; L37-L41 PolarHBondContact O-N 3.05Å; L41-N43 VanDerWaalsContact C-N 3.33Å; L41-N43 PolarHBondContact O-N 3.44Å; L41-L44 PolarHBondContact O-N 3.08Å; L41-V45 HydrophobicContact CD1-CG2 4.21Å; L41-V45 WeakPolarHBondContact O-CG2 3.28Å; L41-V45 PolarHBondContact O-N 3.05Å; L41-L59 HydrophobicContact CD2-CD1 3.94Å; L41-L59 HydrophobicContact CG-CD1 3.79Å; L41-L77 HydrophobicContact CD2-CD1 4Å; L41-L91 HydrophobicContact CD2-CD1 3.55Å |
| 42 | F | 93.8 | Very high | 89 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 177.3 | -176.3 | -108.8 | 0 | 0 | 0 | 112.5 | G38 L39 D40 V45 T46 N54 F57 L59 F93 | G38-F42 VanDerWaalsContact O-CB 3.26Å; G38-F42 WeakPolarHBondContact O-CB 3.49Å; G38-F42 PolarHBondContact O-N 3.32Å; G38-F42 VanDerWaalsContact O-N 3.14Å; L39-F42 PolarHBondContact O-N 2.98Å; D40-F42 PolarHBondContact O-N 3.09Å; F42-V45 PolarHBondContact O-N 3.09Å; F42-T46 HydrophobicContact CD1-CG2 4.39Å; F42-T46 HydrophobicContact CD2-CG2 4.41Å; F42-T46 HydrophobicContact CE1-CG2 3.97Å; F42-T46 HydrophobicContact CE2-CG2 3.99Å; F42-T46 HydrophobicContact CZ-CG2 3.76Å; F42-T46 WeakPolarHBondContact O-CB 3.42Å; F42-T46 WeakPolarHBondContact O-CG2 3.49Å; F42-T46 PolarHBondContact O-N 2.94Å; F42-T46 PolarHBondContact O-OG1 3.44Å; F42-N54 HydrophobicContact CE1-CB 4.37Å; F42-N54 WeakPolarHBondContact CZ-O 3.29Å; F42-F57 HydrophobicContact CE2-CB 4.27Å; F42-F57 HydrophobicContact CZ-CB 4.16Å; F42-L59 HydrophobicContact CB-CD1 4.34Å; F42-L59 HydrophobicContact CD2-CD1 4.38Å; F42-L59 HydrophobicContact CD2-CG 4.15Å; F42-F93 HydrophobicContact CE2-CD2 4.49Å; F42-F93 HydrophobicContact CE2-CE2 4.02Å |
| 43 | N | 93.1 | Very high | 88.8 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.2 | -68.6 | -23.4 | 0 | 0 | 0 | 111.5 | L39 D40 L41 T46 K47 | L39-N43 WeakPolarHBondContact O-CB 3.39Å; L39-N43 PolarHBondContact O-N 2.82Å; L39-N43 PolarHBondContact O-ND2 3.5Å; L39-N43 PolarHBondContact O-OD1 2.83Å; D40-N43 PolarHBondContact O-N 3.39Å; L41-N43 VanDerWaalsContact C-N 3.33Å; L41-N43 PolarHBondContact O-N 3.44Å; N43-T46 WeakPolarHBondContact CA-OG1 3.22Å; N43-T46 PolarHBondContact O-OG1 3.48Å; N43-K47 WeakPolarHBondContact O-CB 3.42Å; N43-K47 PolarHBondContact O-N 3.25Å |
| 44 | L | 92.6 | Very high | 88.9 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 174.9 | -70.3 | 169.4 | 0 | 0 | 0 | 112.2 | F30 L32 D40 L41 K47 K48 | F30-L44 HydrophobicContact CD1-CB 4.21Å; F30-L44 HydrophobicContact CE1-CB 3.96Å; L32-L44 HydrophobicContact CD1-CD1 4.22Å; L32-L44 HydrophobicContact CD2-CD1 3.71Å; D40-L44 WeakPolarHBondContact O-CG 3.41Å; D40-L44 PolarHBondContact O-N 3.11Å; L41-L44 PolarHBondContact O-N 3.08Å; L44-K47 PolarHBondContact O-N 3.08Å; L44-K48 WeakPolarHBondContact O-CB 3.47Å; L44-K48 PolarHBondContact O-N 3.27Å |
| 45 | V | 93.1 | Very high | 89 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -52 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 111 | V20 L22 F30 L41 F42 K47 K48 I49 L59 F93 | V20-V45 HydrophobicContact CB-CG2 4.25Å; V20-V45 HydrophobicContact CG1-CG1 4.22Å; V20-V45 HydrophobicContact CG1-CG2 3.98Å; V20-V45 HydrophobicContact CG2-CG2 3.88Å; L22-V45 HydrophobicContact CD2-CG1 4.27Å; F30-V45 HydrophobicContact CD2-CG2 4.44Å; F30-V45 HydrophobicContact CE2-CG2 3.65Å; F30-V45 HydrophobicContact CZ-CB 4.49Å; F30-V45 HydrophobicContact CZ-CG2 3.75Å; L41-V45 HydrophobicContact CD1-CG2 4.21Å; L41-V45 WeakPolarHBondContact O-CG2 3.28Å; L41-V45 PolarHBondContact O-N 3.05Å; F42-V45 PolarHBondContact O-N 3.09Å; V45-K47 VanDerWaalsContact C-N 3.34Å; V45-K47 PolarHBondContact O-N 3.25Å; V45-K48 PolarHBondContact O-N 2.9Å; V45-K48 VanDerWaalsContact O-N 3.07Å; V45-I49 HydrophobicContact CG1-CD1 3.72Å; V45-I49 HydrophobicContact CG1-CG1 4.5Å; V45-I49 WeakPolarHBondContact O-CG1 3.28Å; V45-I49 PolarHBondContact O-N 3.4Å; V45-L59 HydrophobicContact CG1-CD2 4.47Å; V45-L59 HydrophobicContact CG2-CD2 4.41Å; V45-F93 HydrophobicContact CG1-CD2 3.64Å; V45-F93 HydrophobicContact CG1-CE2 4.13Å; V45-F93 HydrophobicContact CG1-CG 4.28Å |
| 46 | T | 91 | Very high | 89.4 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -34.6 | 179.7 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | F42 N43 K48 I49 G50 N54 F93 | F42-T46 HydrophobicContact CD1-CG2 4.39Å; F42-T46 HydrophobicContact CD2-CG2 4.41Å; F42-T46 HydrophobicContact CE1-CG2 3.97Å; F42-T46 HydrophobicContact CE2-CG2 3.99Å; F42-T46 HydrophobicContact CZ-CG2 3.76Å; F42-T46 WeakPolarHBondContact O-CB 3.42Å; F42-T46 WeakPolarHBondContact O-CG2 3.49Å; F42-T46 PolarHBondContact O-N 2.94Å; F42-T46 PolarHBondContact O-OG1 3.44Å; N43-T46 WeakPolarHBondContact CA-OG1 3.22Å; N43-T46 PolarHBondContact O-OG1 3.48Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 PolarHBondContact O-N 3.06Å; T46-I49 PolarHBondContact O-N 2.94Å; T46-G50 PolarHBondContact O-N 3.36Å; T46-N54 WeakPolarHBondContact CB-OD1 3.01Å; T46-N54 HydrophobicContact CG2-CB 4.11Å; T46-N54 WeakPolarHBondContact CG2-OD1 3.42Å; T46-F93 HydrophobicContact CG2-CE2 4.2Å |
| 47 | K | 89.7 | Confident | 89.6 | Confident | 175 Ų | 175 | 51.1 Ų | 51.1 | 76% | 0.761 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.4 | -36 | 170.7 | -175.3 | -177.6 | 176.3 | -170.5 | 0 | 112.4 | N43 L44 V45 | N43-K47 WeakPolarHBondContact O-CB 3.42Å; N43-K47 PolarHBondContact O-N 3.25Å; L44-K47 PolarHBondContact O-N 3.08Å; V45-K47 VanDerWaalsContact C-N 3.34Å; V45-K47 PolarHBondContact O-N 3.25Å |
| 48 | K | 88.8 | Confident | 89.8 | Confident | 126 Ų | 126 | 48.4 Ų | 48.4 | 55% | 0.548 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -74.3 | -30.9 | 177.4 | -173.1 | 168.9 | -178.5 | 169.5 | 0 | 113 | A28 F30 L44 V45 T46 | A28-K48 HydrophobicContact CB-CD 4.12Å; F30-K48 HydrophobicContact CE1-CD 4.35Å; F30-K48 HydrophobicContact CZ-CD 3.97Å; L44-K48 WeakPolarHBondContact O-CB 3.47Å; L44-K48 PolarHBondContact O-N 3.27Å; V45-K48 PolarHBondContact O-N 2.9Å; V45-K48 VanDerWaalsContact O-N 3.07Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 PolarHBondContact O-N 3.06Å |
| 49 | I | 89.3 | Confident | 90 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -81.8 | -32.1 | 176 | -56.4 | 163.4 | 0 | 0 | 0 | 111.3 | L22 V45 T46 T51 F93 L113 | L22-I49 HydrophobicContact CD1-CG1 4.47Å; L22-I49 HydrophobicContact CD2-CD1 3.82Å; L22-I49 HydrophobicContact CD2-CG1 4.07Å; V45-I49 HydrophobicContact CG1-CD1 3.72Å; V45-I49 HydrophobicContact CG1-CG1 4.5Å; V45-I49 WeakPolarHBondContact O-CG1 3.28Å; V45-I49 PolarHBondContact O-N 3.4Å; T46-I49 PolarHBondContact O-N 2.94Å; I49-T51 HydrophobicContact CG2-CG2 3.93Å; I49-F93 HydrophobicContact CD1-CD1 3.81Å; I49-F93 HydrophobicContact CD1-CD2 3.98Å; I49-F93 HydrophobicContact CD1-CE1 3.6Å; I49-F93 HydrophobicContact CD1-CE2 3.76Å; I49-F93 HydrophobicContact CD1-CG 3.99Å; I49-F93 HydrophobicContact CD1-CZ 3.56Å; I49-L113 HydrophobicContact CG2-CD1 3.92Å; I49-L113 HydrophobicContact CG2-CD2 4.42Å |
| 50 | G | 84.8 | Confident | 90 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 16.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | T46 | T46-G50 PolarHBondContact O-N 3.36Š|
| 51 | T | 80.9 | Confident | 90 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | trans | -73.4 | 144.4 | -177.6 | 38.6 | 0 | 0 | 0 | 0 | 113.9 | I49 N54 F57 L109 L113 | I49-T51 HydrophobicContact CG2-CG2 3.93Å; T51-N54 WeakPolarHBondContact CB-OD1 3.2Å; T51-N54 PolarHBondContact O-ND2 2.97Å; T51-N54 VanDerWaalsContact O-ND2 3.11Å; T51-N54 PolarHBondContact O-OD1 3.3Å; T51-N54 PolarHBondContact OG1-OD1 3.5Å; T51-F57 HydrophobicContact CG2-CE2 4.47Å; T51-L109 HydrophobicContact CG2-CD2 3.97Å; T51-L109 HydrophobicContact CG2-CG 4.06Å; T51-L113 HydrophobicContact CG2-CD1 3.21Å | ||
| 52 | F | 79.3 | Confident | 89.7 | Confident | 160 Ų | 160 | 48.4 Ų | 48.4 | 70% | 0.702 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -99.6 | -38.5 | 175.4 | -65.6 | -77 | 0 | 0 | 0 | 113.3 | N54 | F52-N54 PolarHBondContact O-N 3.08Å; F52-N54 VanDerWaalsContact O-N 3.09Å |
| 53 | E | 84.9 | Confident | 89.3 | Confident | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | trans | -88 | 49.9 | -179.7 | -57.3 | -170.1 | 79.9 | 0 | 0 | 112.1 | E55 Y56 E106 D107 T110 | E53-E55 PolarHBondContact O-N 2.86Å; E53-Y56 HydrophobicContact CB-CD2 3.86Å; E53-Y56 HydrophobicContact CB-CE2 3.93Å; E53-Y56 WeakPolarHBondContact O-CD2 3.46Å; E53-Y56 PolarHBondContact O-N 3.22Å; E53-Y56 WeakPolarHBondContact OE1-CE2 3.49Å; E53-E106 PolarHBondContact OE2-N 2.94Å; E53-D107 HydrophobicContact CG-CB 4.11Å; E53-D107 PolarHBondContact OE2-N 2.95Å; E53-T110 HydrophobicContact CB-CG2 3.95Å | ||
| 54 | N | 88.7 | Confident | 88.7 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -57.2 | -23.5 | -171.3 | -67.7 | -30.8 | 0 | 0 | 0 | 114.6 | F42 T46 T51 F52 Y56 F57 | F42-N54 HydrophobicContact CE1-CB 4.37Å; F42-N54 WeakPolarHBondContact CZ-O 3.29Å; T46-N54 WeakPolarHBondContact CB-OD1 3.01Å; T46-N54 HydrophobicContact CG2-CB 4.11Å; T46-N54 WeakPolarHBondContact CG2-OD1 3.42Å; T51-N54 WeakPolarHBondContact CB-OD1 3.2Å; T51-N54 PolarHBondContact O-ND2 2.97Å; T51-N54 VanDerWaalsContact O-ND2 3.11Å; T51-N54 PolarHBondContact O-OD1 3.3Å; T51-N54 PolarHBondContact OG1-OD1 3.5Å; F52-N54 PolarHBondContact O-N 3.08Å; F52-N54 VanDerWaalsContact O-N 3.09Å; N54-Y56 VanDerWaalsContact C-N 3.26Å; N54-Y56 PolarHBondContact O-N 2.69Å; N54-F57 PolarHBondContact O-N 3.42Å |
| 55 | E | 87.9 | Confident | 88 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -64.2 | -19.9 | -177.2 | 59.7 | -165.6 | -141.2 | 0 | 0 | 115.2 | E53 F97 F296 M300 | E53-E55 PolarHBondContact O-N 2.86Å; E55-F97 VanDerWaalsContact O-CD2 3.3Å; E55-F97 WeakPolarHBondContact O-CD2 3.5Å; E55-F296 HydrophobicContact CB-CE2 4.22Å; E55-F296 HydrophobicContact CG-CE2 4.46Å; E55-F296 VanDerWaalsContact O-CE2 3.29Å; E55-F296 WeakPolarHBondContact O-CE2 3.47Å; E55-M300 WeakPolarHBondContact OE1-CE 3.33Å |
| 56 | Y | 91.9 | Very high | 87.2 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 8% | 0.078 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -79.5 | -16.8 | 175.4 | -64 | -67.5 | 0 | 0 | 0 | 114.5 | E53 N54 K96 F97 L105 T110 Y114 F296 | E53-Y56 HydrophobicContact CB-CD2 3.86Å; E53-Y56 HydrophobicContact CB-CE2 3.93Å; E53-Y56 WeakPolarHBondContact O-CD2 3.46Å; E53-Y56 PolarHBondContact O-N 3.22Å; E53-Y56 WeakPolarHBondContact OE1-CE2 3.49Å; N54-Y56 VanDerWaalsContact C-N 3.26Å; N54-Y56 PolarHBondContact O-N 2.69Å; Y56-K96 PolarHBondContact O-N 3.17Å; Y56-F97 HydrophobicContact CD1-CB 4.4Å; Y56-F97 WeakPolarHBondContact CD1-O 3.25Å; Y56-F97 PolarHBondContact O-N 3.05Å; Y56-L105 HydrophobicContact CD2-CD2 4.08Å; Y56-L105 HydrophobicContact CE2-CD2 3.66Å; Y56-T110 HydrophobicContact CD2-CG2 4.32Å; Y56-Y114 VanDerWaalsContact CD1-OH 3.27Å; Y56-Y114 WeakPolarHBondContact CD1-OH 3.43Å; Y56-Y114 HydrophobicContact CD2-CE2 4.46Å; Y56-Y114 HydrophobicContact CG-CE2 4.15Å; Y56-F296 HydrophobicContact CD1-CE1 4.16Å; Y56-F296 AromaticContact CD1-CZ 3.67Å; Y56-F296 HydrophobicContact CD1-CZ 3.67Å; Y56-F296 HydrophobicContact CE1-CE1 4.08Å; Y56-F296 AromaticContact CE1-CZ 3.75Å; Y56-F296 HydrophobicContact CE1-CZ 3.75Å |
| 57 | F | 94.6 | Very high | 86.7 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 173 | -169 | -59.7 | -83.5 | 0 | 0 | 0 | 112.8 | L23 F42 T51 N54 F93 G94 V95 T110 L113 Y114 | L23-F57 HydrophobicContact CD1-CE1 4.4Å; F42-F57 HydrophobicContact CE2-CB 4.27Å; F42-F57 HydrophobicContact CZ-CB 4.16Å; T51-F57 HydrophobicContact CG2-CE2 4.47Å; N54-F57 PolarHBondContact O-N 3.42Å; F57-F93 HydrophobicContact CB-CE1 4.38Å; F57-F93 HydrophobicContact CB-CE2 3.71Å; F57-F93 HydrophobicContact CB-CZ 3.55Å; F57-F93 AromaticContact CD1-CE1 3.61Å; F57-F93 HydrophobicContact CD1-CE1 3.61Å; F57-F93 HydrophobicContact CD1-CE2 4.46Å; F57-F93 AromaticContact CD1-CZ 3.54Å; F57-F93 HydrophobicContact CD1-CZ 3.54Å; F57-F93 HydrophobicContact CD2-CZ 4.18Å; F57-F93 HydrophobicContact CE1-CE1 4.09Å; F57-F93 HydrophobicContact CE1-CZ 4.27Å; F57-F93 HydrophobicContact CG-CE1 4.07Å; F57-F93 HydrophobicContact CG-CE2 4.19Å; F57-F93 AromaticContact CG-CZ 3.49Å; F57-F93 HydrophobicContact CG-CZ 3.49Å; F57-F93 VanDerWaalsContact CG-CZ 3.49Å; F57-G94 CarbonylContact C-O 3.54Å; F57-G94 WeakPolarHBondContact CA-O 3.45Å; F57-V95 HydrophobicContact CD1-CG2 4.09Å; F57-V95 HydrophobicContact CE1-CG2 3.78Å; F57-T110 HydrophobicContact CE2-CG2 3.97Å; F57-T110 HydrophobicContact CZ-CG2 4.02Å; F57-L113 HydrophobicContact CE1-CB 3.8Å; F57-L113 HydrophobicContact CE1-CD1 4.35Å; F57-L113 HydrophobicContact CZ-CB 3.84Å; F57-L113 HydrophobicContact CZ-CD1 4.02Å; F57-Y114 HydrophobicContact CZ-CD2 4.26Å; F57-Y114 HydrophobicContact CZ-CE2 4.46Å |
| 58 | G | 93.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G94 | G58-G94 PolarHBondContact N-O 3.18Å; G58-G94 PolarHBondContact O-N 3.14Å |
| 59 | L | 94.8 | Very high | 86.3 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.8 | 171.3 | -65.8 | 168.6 | 0 | 0 | 0 | 109.9 | V20 L41 F42 V45 W70 V71 L91 L92 F93 | V20-L59 HydrophobicContact CG1-CD2 3.61Å; V20-L59 HydrophobicContact CG2-CD2 4.48Å; L41-L59 HydrophobicContact CD2-CD1 3.94Å; L41-L59 HydrophobicContact CG-CD1 3.79Å; F42-L59 HydrophobicContact CB-CD1 4.34Å; F42-L59 HydrophobicContact CD2-CD1 4.38Å; F42-L59 HydrophobicContact CD2-CG 4.15Å; V45-L59 HydrophobicContact CG1-CD2 4.47Å; V45-L59 HydrophobicContact CG2-CD2 4.41Å; L59-W70 WeakPolarHBondContact O-CA 3.38Å; L59-V71 HydrophobicContact CB-CB 4.15Å; L59-V71 HydrophobicContact CB-CG2 3.82Å; L59-V71 PolarHBondContact O-N 3.43Å; L59-L91 HydrophobicContact CB-CD1 4.48Å; L59-L91 HydrophobicContact CD1-CD1 4.21Å; L59-L92 WeakPolarHBondContact CA-O 3.32Å; L59-F93 HydrophobicContact CD2-CB 4.23Å; L59-F93 HydrophobicContact CD2-CD2 4.34Å |
| 60 | L | 92.4 | Very high | 86.4 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.2 | -177.8 | -167.1 | 78.2 | 0 | 0 | 0 | 109.3 | C69 W70 L91 L92 | L60-C69 CarbonylContact C-O 3.54Å; L60-C69 WeakPolarHBondContact CA-O 3.41Å; L60-W70 HydrophobicContact CB-CE3 4.11Å; L60-W70 HydrophobicContact CB-CZ3 4.03Å; L60-W70 HydrophobicContact CD1-CD2 3.72Å; L60-W70 HydrophobicContact CD1-CE3 3.93Å; L60-W70 HydrophobicContact CD1-CG 4.18Å; L60-W70 HydrophobicContact CD1-CH2 4.3Å; L60-W70 HydrophobicContact CD1-CZ2 4.11Å; L60-W70 HydrophobicContact CD1-CZ3 4.21Å; L60-L91 CarbonylContact O-C 3.57Å; L60-L91 VanDerWaalsContact O-CA 3.27Å; L60-L91 WeakPolarHBondContact O-CA 3.27Å; L60-L92 HydrophobicContact CB-CB 4.44Å; L60-L92 PolarHBondContact N-O 3.33Å; L60-L92 PolarHBondContact O-N 3.13Å |
| 61 | Y | 91.6 | Very high | 86.7 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158.2 | 172 | 70.4 | -81.3 | 0 | 0 | 0 | 110 | D63 C69 V71 V80 N83 | Y61-D63 HydrophobicContact CE2-CB 4.31Å; Y61-C69 HydrophobicContact CD1-CB 3.96Å; Y61-C69 WeakPolarHBondContact CD1-O 3.44Å; Y61-C69 HydrophobicContact CD2-CB 4.35Å; Y61-C69 HydrophobicContact CE1-CB 3.52Å; Y61-C69 HydrophobicContact CE2-CB 3.93Å; Y61-C69 HydrophobicContact CG-CB 4.36Å; Y61-C69 VanDerWaalsContact CZ-CB 3.5Å; Y61-C69 PolarHBondContact N-O 2.99Å; Y61-C69 PolarHBondContact O-N 3.13Å; Y61-V71 HydrophobicContact CD1-CG2 3.88Å; Y61-V71 HydrophobicContact CE1-CG2 4.35Å; Y61-V80 HydrophobicContact CD1-CG1 3.76Å; Y61-V80 HydrophobicContact CD2-CG1 3.96Å; Y61-V80 HydrophobicContact CE1-CG1 3.98Å; Y61-V80 HydrophobicContact CE2-CG1 4.19Å; Y61-V80 HydrophobicContact CG-CG1 3.75Å; Y61-N83 HydrophobicContact CE2-CB 3.84Å |
| 62 | S | 87.7 | Confident | 87 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.7 | 170.6 | -62.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 63 | D | 85 | Confident | 87.4 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 168.7 | 168.2 | 70.3 | 20.7 | 0 | 0 | 0 | 111.8 | Y61 E65 G66 N67 C69 N83 N285 | Y61-D63 HydrophobicContact CE2-CB 4.31Å; D63-E65 PolarHBondContact O-N 3.22Å; D63-E65 WeakPolarHBondContact OD1-CB 3.46Å; D63-E65 PolarHBondContact OD1-N 3.26Å; D63-G66 WeakPolarHBondContact O-CA 3.49Å; D63-G66 PolarHBondContact O-N 3.17Å; D63-G66 PolarHBondContact OD1-N 2.92Å; D63-N67 PolarHBondContact N-O 3Å; D63-N67 WeakPolarHBondContact OD1-CB 3.24Å; D63-N67 PolarHBondContact OD1-N 3.36Å; D63-N67 PolarHBondContact OD1-ND2 2.91Å; D63-N67 PolarHBondContact OD2-ND2 3.38Å; D63-C69 PolarHBondContact OD2-SG 3.36Å; D63-N83 CarbonylContact C-O 3.53Å; D63-N83 VanDerWaalsContact CA-O 3.25Å; D63-N83 WeakPolarHBondContact CA-O 3.13Å; D63-N285 PolarHBondContact OD2-ND2 3.33Å |
| 64 | F | 80.2 | Confident | 87.5 | Confident | 115 Ų | 115 | 42.5 Ų | 42.5 | 50% | 0.504 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -7 | -179.9 | 61.4 | -98.2 | 0 | 0 | 0 | 115.2 | N83 S85 | F64-N83 WeakPolarHBondContact CD1-O 3.25Å; F64-N83 PolarHBondContact N-O 2.84Å; F64-N83 VanDerWaalsContact N-O 3.09Å; F64-S85 WeakPolarHBondContact CA-OG 3.38Å |
| 65 | E | 76.8 | Confident | 87.6 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.4 | 170 | -62 | 173.4 | -168.6 | 0 | 0 | 111.7 | D63 N67 T279 N281 | D63-E65 PolarHBondContact O-N 3.22Å; D63-E65 WeakPolarHBondContact OD1-CB 3.46Å; D63-E65 PolarHBondContact OD1-N 3.26Å; E65-N67 VanDerWaalsContact C-N 3.32Å; E65-N67 VanDerWaalsContact CB-ND2 3.31Å; E65-N67 WeakPolarHBondContact CB-ND2 3.26Å; E65-N67 PolarHBondContact O-N 3.35Å; E65-N67 PolarHBondContact OE2-ND2 2.98Å; E65-T279 VanDerWaalsContact OE2-CB 3.3Å; E65-T279 WeakPolarHBondContact OE2-CB 3.03Å; E65-T279 VanDerWaalsContact OE2-CG2 3.25Å; E65-T279 WeakPolarHBondContact OE2-CG2 2.94Å; E65-T279 PolarHBondContact OE2-OG1 2.89Å; E65-N281 WeakPolarHBondContact OE1-CB 3.46Å; E65-N281 PolarHBondContact OE1-ND2 3.3Å |
| 66 | G | 77.4 | Confident | 87.6 | Confident | 55 Ų | 55 | 42.2 Ų | 42.2 | 57% | 0.567 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 77.8 | 5.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D63 S68 | D63-G66 WeakPolarHBondContact O-CA 3.49Å; D63-G66 PolarHBondContact O-N 3.17Å; D63-G66 PolarHBondContact OD1-N 2.92Å; G66-S68 PolarHBondContact O-N 3.02Å |
| 67 | N | 79.9 | Confident | 87.3 | Confident | 31 Ų | 31 | 41.3 Ų | 41.3 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | trans | -76.5 | 128.8 | 179.8 | -50.3 | -88.6 | 0 | 0 | 0 | 110.7 | D63 E65 C69 S282 | D63-N67 PolarHBondContact N-O 3Å; D63-N67 WeakPolarHBondContact OD1-CB 3.24Å; D63-N67 PolarHBondContact OD1-N 3.36Å; D63-N67 PolarHBondContact OD1-ND2 2.91Å; D63-N67 PolarHBondContact OD2-ND2 3.38Å; E65-N67 VanDerWaalsContact C-N 3.32Å; E65-N67 VanDerWaalsContact CB-ND2 3.31Å; E65-N67 WeakPolarHBondContact CB-ND2 3.26Å; E65-N67 PolarHBondContact O-N 3.35Å; E65-N67 PolarHBondContact OE2-ND2 2.98Å; N67-C69 PolarHBondContact O-N 3.14Å; N67-C69 VanDerWaalsContact O-N 3.12Å; N67-C69 PolarHBondContact O-SG 3.17Å; N67-S282 WeakPolarHBondContact OD1-CB 3.27Å; N67-S282 PolarHBondContact OD1-OG 2.99Å | ||
| 68 | S | 83.2 | Confident | 86.9 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 54% | 0.538 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 110.8 | 169.9 | -41.8 | 0 | 0 | 0 | 0 | 111.5 | G66 | G66-S68 PolarHBondContact O-N 3.02Å |
| 69 | C | 86.5 | Confident | 86.5 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135 | -177.5 | -73.6 | 0 | 0 | 0 | 0 | 111.7 | L60 Y61 D63 N67 N285 | L60-C69 CarbonylContact C-O 3.54Å; L60-C69 WeakPolarHBondContact CA-O 3.41Å; Y61-C69 HydrophobicContact CD1-CB 3.96Å; Y61-C69 WeakPolarHBondContact CD1-O 3.44Å; Y61-C69 HydrophobicContact CD2-CB 4.35Å; Y61-C69 HydrophobicContact CE1-CB 3.52Å; Y61-C69 HydrophobicContact CE2-CB 3.93Å; Y61-C69 HydrophobicContact CG-CB 4.36Å; Y61-C69 VanDerWaalsContact CZ-CB 3.5Å; Y61-C69 PolarHBondContact N-O 2.99Å; Y61-C69 PolarHBondContact O-N 3.13Å; D63-C69 PolarHBondContact OD2-SG 3.36Å; N67-C69 PolarHBondContact O-N 3.14Å; N67-C69 VanDerWaalsContact O-N 3.12Å; N67-C69 PolarHBondContact O-SG 3.17Å; C69-N285 PolarHBondContact SG-ND2 2.96Å |
| 70 | W | 91.7 | Very high | 86 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 140.2 | 167.2 | -63.7 | 105.8 | 0 | 0 | 0 | 110.5 | L59 L60 K96 | L59-W70 WeakPolarHBondContact O-CA 3.38Å; L60-W70 HydrophobicContact CB-CE3 4.11Å; L60-W70 HydrophobicContact CB-CZ3 4.03Å; L60-W70 HydrophobicContact CD1-CD2 3.72Å; L60-W70 HydrophobicContact CD1-CE3 3.93Å; L60-W70 HydrophobicContact CD1-CG 4.18Å; L60-W70 HydrophobicContact CD1-CH2 4.3Å; L60-W70 HydrophobicContact CD1-CZ2 4.11Å; L60-W70 HydrophobicContact CD1-CZ3 4.21Å; W70-K96 HydrophobicContact CB-CD 4.49Å; W70-K96 HydrophobicContact CD2-CB 4.41Å; W70-K96 HydrophobicContact CD2-CD 3.72Å; W70-K96 HydrophobicContact CD2-CG 3.85Å; W70-K96 HydrophobicContact CE3-CB 4.3Å; W70-K96 HydrophobicContact CE3-CD 3.9Å; W70-K96 HydrophobicContact CE3-CG 4.16Å; W70-K96 HydrophobicContact CG-CD 3.97Å; W70-K96 HydrophobicContact CG-CG 4.36Å; W70-K96 HydrophobicContact CH2-CB 3.81Å; W70-K96 HydrophobicContact CH2-CG 4.24Å; W70-K96 HydrophobicContact CZ2-CB 3.9Å; W70-K96 HydrophobicContact CZ2-CG 3.91Å; W70-K96 HydrophobicContact CZ3-CB 4.01Å; W70-K96 HydrophobicContact CZ3-CD 4.45Å; W70-K96 HydrophobicContact CZ3-CG 4.35Å |
| 71 | V | 90.7 | Very high | 85.6 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | trans | -60.7 | 142.1 | 163.7 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | L59 Y61 V80 L91 | L59-V71 HydrophobicContact CB-CB 4.15Å; L59-V71 HydrophobicContact CB-CG2 3.82Å; L59-V71 PolarHBondContact O-N 3.43Å; Y61-V71 HydrophobicContact CD1-CG2 3.88Å; Y61-V71 HydrophobicContact CE1-CG2 4.35Å; V71-V80 HydrophobicContact CG1-CG2 4.19Å; V71-V80 HydrophobicContact CG2-CG1 4.5Å; V71-V80 HydrophobicContact CG2-CG2 4.22Å; V71-L91 HydrophobicContact CG2-CD2 4.31Å | ||
| 72 | D | 88.7 | Confident | 85.2 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | trans | -101.1 | 110 | 171.7 | -179.3 | -8.3 | 0 | 0 | 0 | 108.9 | N74 K75 | D72-N74 PolarHBondContact O-N 3.47Å; D72-N74 WeakPolarHBondContact OD1-CB 3.38Å; D72-N74 PolarHBondContact OD1-N 3.44Å; D72-N74 PolarHBondContact OD1-ND2 3.36Å; D72-K75 HydrophobicContact CB-CB 4.5Å; D72-K75 HydrophobicContact CB-CD 4.46Å; D72-K75 HydrophobicContact CB-CG 4.28Å; D72-K75 PolarHBondContact O-N 2.82Å; D72-K75 IonicContact OD2-NZ 3.23Å; D72-K75 PolarHBondContact OD2-NZ 3.49Å | ||
| 73 | N | 87.4 | Confident | 84.9 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -24.6 | -179.6 | -58.1 | 37.2 | 0 | 0 | 0 | 112.9 | L39 K75 | L39-N73 HydrophobicContact CB-CB 3.96Å; L39-N73 WeakPolarHBondContact CB-O 3.28Å; L39-N73 HydrophobicContact CD1-CB 4.26Å; L39-N73 PolarHBondContact N-O 3.04Å; L39-N73 VanDerWaalsContact N-O 3.17Å; N73-K75 VanDerWaalsContact C-N 3.32Å; N73-K75 PolarHBondContact O-N 3.5Å |
| 74 | N | 87.3 | Confident | 84.9 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 13 | -179.1 | -51.6 | -95.7 | 0 | 0 | 0 | 114.1 | D72 H313 | D72-N74 PolarHBondContact O-N 3.47Å; D72-N74 WeakPolarHBondContact OD1-CB 3.38Å; D72-N74 PolarHBondContact OD1-N 3.44Å; D72-N74 PolarHBondContact OD1-ND2 3.36Å; N74-H313 PolarHBondContact OD1-CE1 2.97Å; N74-H313 PolarHBondContact OD1-ND1 3.03Å |
| 75 | K | 89.2 | Confident | 84.6 | Confident | 88 Ų | 88 | 55 Ų | 55 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -134 | 149.7 | -176.3 | -64.9 | -163.6 | 176 | 74.9 | 0 | 112.1 | L37 G38 D72 N73 K79 | L37-K75 WeakPolarHBondContact CA-O 3.42Å; G38-K75 PolarHBondContact N-O 3.38Å; D72-K75 HydrophobicContact CB-CB 4.5Å; D72-K75 HydrophobicContact CB-CD 4.46Å; D72-K75 HydrophobicContact CB-CG 4.28Å; D72-K75 PolarHBondContact O-N 2.82Å; D72-K75 IonicContact OD2-NZ 3.23Å; D72-K75 PolarHBondContact OD2-NZ 3.49Å; N73-K75 VanDerWaalsContact C-N 3.32Å; N73-K75 PolarHBondContact O-N 3.5Å; K75-K79 HydrophobicContact CD-CD 3.61Å |
| 76 | P | 88.5 | Confident | 84.6 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -69.4 | 153.2 | 177.4 | 29.4 | -36.4 | 0 | 0 | 0 | 112.5 | C36 T78 K79 | C36-P76 CarbonylContact O-C 3.53Å; C36-P76 VanDerWaalsContact O-CA 3.27Å; C36-P76 WeakPolarHBondContact O-CA 3.48Å; P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 WeakPolarHBondContact CB-OG1 3.34Å; P76-T78 WeakPolarHBondContact CG-OG1 3.36Å; P76-T78 PolarHBondContact O-N 3.21Å; P76-K79 PolarHBondContact O-N 2.79Å; P76-K79 VanDerWaalsContact O-N 3.08Å |
| 77 | L | 86 | Confident | 84.7 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.4 | -176.2 | -164.8 | 68.8 | 0 | 0 | 0 | 113 | V16 V18 E34 C36 L41 K79 V80 L81 L89 | V16-L77 HydrophobicContact CB-CD2 4.24Å; V16-L77 HydrophobicContact CG1-CD2 4.05Å; V16-L77 HydrophobicContact CG2-CD2 4.49Å; V18-L77 HydrophobicContact CG2-CD2 3.66Å; E34-L77 PolarHBondContact O-N 3Å; C36-L77 PolarHBondContact O-N 3.17Å; L41-L77 HydrophobicContact CD2-CD1 4Å; L77-K79 PolarHBondContact O-N 3.42Å; L77-V80 HydrophobicContact CD1-CB 4.24Å; L77-V80 HydrophobicContact CD1-CG2 4.23Å; L77-V80 WeakPolarHBondContact O-CA 3.37Å; L77-V80 WeakPolarHBondContact O-CB 3.42Å; L77-V80 PolarHBondContact O-N 2.81Å; L77-L81 HydrophobicContact CD2-CD1 4.48Å; L77-L81 HydrophobicContact CG-CD1 4.21Å; L77-L81 HydrophobicContact CG-CG 4.47Å; L77-L81 PolarHBondContact O-N 2.74Å; L77-L89 HydrophobicContact CD1-CD2 3.77Å; L77-L89 HydrophobicContact CD2-CD2 4.33Å; L77-L89 HydrophobicContact CG-CD2 4.08Å |
| 78 | T | 85.8 | Confident | 84.8 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -35.9 | -40.4 | 164.5 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | E34 P76 R82 | E34-T78 HydrophobicContact CB-CG2 3.84Å; E34-T78 WeakPolarHBondContact O-CG2 3.32Å; E34-T78 PolarHBondContact O-N 2.93Å; E34-T78 WeakPolarHBondContact OE2-CG2 3.39Å; P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 WeakPolarHBondContact CB-OG1 3.34Å; P76-T78 WeakPolarHBondContact CG-OG1 3.36Å; P76-T78 PolarHBondContact O-N 3.21Å; T78-R82 WeakPolarHBondContact O-CB 3.21Å; T78-R82 VanDerWaalsContact O-CG 3.25Å; T78-R82 WeakPolarHBondContact O-CG 3.43Å; T78-R82 PolarHBondContact O-N 2.99Å |
| 79 | K | 85.1 | Confident | 85 | Confident | 107 Ų | 107 | 59.1 Ų | 59.1 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -76.7 | -30 | -176.9 | -168.5 | 169.8 | -165.3 | 63.6 | 0 | 113.6 | K75 P76 L77 N83 | K75-K79 HydrophobicContact CD-CD 3.61Å; P76-K79 PolarHBondContact O-N 2.79Å; P76-K79 VanDerWaalsContact O-N 3.08Å; L77-K79 PolarHBondContact O-N 3.42Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-OD1 2.84Å |
| 80 | V | 85.1 | Confident | 85.2 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.4 | -44.2 | 173.2 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | Y61 V71 L77 R82 N83 S84 L89 L91 | Y61-V80 HydrophobicContact CD1-CG1 3.76Å; Y61-V80 HydrophobicContact CD2-CG1 3.96Å; Y61-V80 HydrophobicContact CE1-CG1 3.98Å; Y61-V80 HydrophobicContact CE2-CG1 4.19Å; Y61-V80 HydrophobicContact CG-CG1 3.75Å; V71-V80 HydrophobicContact CG1-CG2 4.19Å; V71-V80 HydrophobicContact CG2-CG1 4.5Å; V71-V80 HydrophobicContact CG2-CG2 4.22Å; L77-V80 HydrophobicContact CD1-CB 4.24Å; L77-V80 HydrophobicContact CD1-CG2 4.23Å; L77-V80 WeakPolarHBondContact O-CA 3.37Å; L77-V80 WeakPolarHBondContact O-CB 3.42Å; L77-V80 PolarHBondContact O-N 2.81Å; V80-R82 PolarHBondContact O-N 2.9Å; V80-N83 CarbonylContact O-C 3.52Å; V80-N83 WeakPolarHBondContact O-CA 3.43Å; V80-N83 PolarHBondContact O-N 2.97Å; V80-S84 PolarHBondContact O-N 2.92Å; V80-L89 HydrophobicContact CB-CD2 4.33Å; V80-L89 HydrophobicContact CG1-CD1 4.02Å; V80-L89 HydrophobicContact CG1-CD2 3.99Å; V80-L91 HydrophobicContact CG1-CD2 4.2Å |
| 81 | L | 83.3 | Confident | 85.2 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -36.8 | 178.1 | -67.8 | 161.2 | 0 | 0 | 0 | 113.9 | V16 E34 L77 N83 L89 | V16-L81 HydrophobicContact CB-CD1 4.41Å; V16-L81 HydrophobicContact CG1-CD1 3.84Å; V16-L81 HydrophobicContact CG1-CD2 3.72Å; V16-L81 HydrophobicContact CG1-CG 4.34Å; V16-L81 HydrophobicContact CG2-CD1 3.67Å; E34-L81 HydrophobicContact CG-CD1 3.79Å; L77-L81 HydrophobicContact CD2-CD1 4.48Å; L77-L81 HydrophobicContact CG-CD1 4.21Å; L77-L81 HydrophobicContact CG-CG 4.47Å; L77-L81 PolarHBondContact O-N 2.74Å; L81-N83 PolarHBondContact O-N 2.82Å; L81-L89 HydrophobicContact CD2-CB 3.89Å; L81-L89 HydrophobicContact CD2-CD1 4.45Å; L81-L89 HydrophobicContact CD2-CD2 3.82Å; L81-L89 HydrophobicContact CD2-CG 4.26Å; L81-L89 HydrophobicContact CG-CD2 4.11Å |
| 82 | R | 83.2 | Confident | 85.3 | Confident | 206 Ų | 206 | 63.8 Ų | 63.8 | 78% | 0.777 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10.3 | 173 | -71.4 | 174.2 | -170 | -145.6 | 3.8 | 114.3 | T78 V80 | T78-R82 WeakPolarHBondContact O-CB 3.21Å; T78-R82 VanDerWaalsContact O-CG 3.25Å; T78-R82 WeakPolarHBondContact O-CG 3.43Å; T78-R82 PolarHBondContact O-N 2.99Å; V80-R82 PolarHBondContact O-N 2.9Å |
| 83 | N | 82.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -22.9 | -176.3 | -88.8 | 47.8 | 0 | 0 | 0 | 113.2 | Y61 D63 F64 K79 V80 L81 | Y61-N83 HydrophobicContact CE2-CB 3.84Å; D63-N83 CarbonylContact C-O 3.53Å; D63-N83 VanDerWaalsContact CA-O 3.25Å; D63-N83 WeakPolarHBondContact CA-O 3.13Å; F64-N83 WeakPolarHBondContact CD1-O 3.25Å; F64-N83 PolarHBondContact N-O 2.84Å; F64-N83 VanDerWaalsContact N-O 3.09Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-OD1 2.84Å; V80-N83 CarbonylContact O-C 3.52Å; V80-N83 WeakPolarHBondContact O-CA 3.43Å; V80-N83 PolarHBondContact O-N 2.97Å; L81-N83 PolarHBondContact O-N 2.82Å |
| 84 | S | 83.2 | Confident | 85.9 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 150.7 | 178.1 | -165.6 | 0 | 0 | 0 | 0 | 111.7 | V80 T86 | V80-S84 PolarHBondContact O-N 2.92Å; S84-T86 PolarHBondContact OG-N 3.45Å; S84-T86 PolarHBondContact OG-OG1 3.33Å |
| 85 | S | 75.4 | Confident | 86.3 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | trans | -93.7 | -13.2 | 166.9 | -67.3 | 0 | 0 | 0 | 0 | 113.4 | F64 | F64-S85 WeakPolarHBondContact CA-OG 3.38Š| ||
| 86 | T | 76.9 | Confident | 86.4 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | trans | -84.5 | 133.2 | -179.5 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | S84 P88 E90 | S84-T86 PolarHBondContact OG-N 3.45Å; S84-T86 PolarHBondContact OG-OG1 3.33Å; T86-P88 CarbonylContact C-O 3.59Å; T86-P88 VanDerWaalsContact C-O 3.28Å; T86-E90 HydrophobicContact CG2-CB 4.25Å; T86-E90 HydrophobicContact CG2-CG 4.39Å; T86-E90 PolarHBondContact OG1-N 3.12Å | ||
| 87 | R | 78.6 | Confident | 86.6 | Confident | 217 Ų | 217 | 51.3 Ų | 51.3 | 82% | 0.819 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -134.3 | 123.8 | 164.1 | -71 | -168.4 | 175.3 | -142.7 | -2.6 | 108.1 | ||
| 88 | P | 82.8 | Confident | 86.8 | Confident | 56 Ų | 56 | 52 Ų | 52 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | S | Bend | cis | -58 | 165.5 | -3.8 | 28 | -36.5 | 0 | 0 | 0 | 112.7 | D17 T86 E90 | D17-P88 HydrophobicContact CB-CB 4.1Å; T86-P88 CarbonylContact C-O 3.59Å; T86-P88 VanDerWaalsContact C-O 3.28Å; P88-E90 PolarHBondContact O-N 3.08Å |
| 89 | L | 86.2 | Confident | 87 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 99.5 | -172.5 | 177.2 | 60.2 | 0 | 0 | 0 | 110.7 | D17 V18 H19 L77 V80 L81 L91 | D17-L89 PolarHBondContact O-N 3.45Å; V18-L89 HydrophobicContact CG1-CD2 4.42Å; V18-L89 HydrophobicContact CG1-CG 4.45Å; V18-L89 HydrophobicContact CG2-CD2 4.44Å; H19-L89 PolarHBondContact N-O 3.14Å; L77-L89 HydrophobicContact CD1-CD2 3.77Å; L77-L89 HydrophobicContact CD2-CD2 4.33Å; L77-L89 HydrophobicContact CG-CD2 4.08Å; V80-L89 HydrophobicContact CB-CD2 4.33Å; V80-L89 HydrophobicContact CG1-CD1 4.02Å; V80-L89 HydrophobicContact CG1-CD2 3.99Å; L81-L89 HydrophobicContact CD2-CB 3.89Å; L81-L89 HydrophobicContact CD2-CD1 4.45Å; L81-L89 HydrophobicContact CD2-CD2 3.82Å; L81-L89 HydrophobicContact CD2-CG 4.26Å; L81-L89 HydrophobicContact CG-CD2 4.11Å; L89-L91 HydrophobicContact CD1-CD2 4.05Å; L89-L91 HydrophobicContact CD2-CD2 4.23Å; L89-L91 HydrophobicContact CG-CD2 3.94Å; L89-L91 HydrophobicContact CG-CG 4.18Å |
| 90 | E | 90.5 | Very high | 87 | Confident | 91 Ų | 91 | 47.1 Ų | 47.1 | 43% | 0.425 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 125.4 | 176.1 | -62 | -168.8 | 144.8 | 0 | 0 | 111.8 | H19 T86 P88 | H19-E90 HydrophobicContact CB-CG 4.46Å; H19-E90 WeakPolarHBondContact O-CA 3.44Å; T86-E90 HydrophobicContact CG2-CB 4.25Å; T86-E90 HydrophobicContact CG2-CG 4.39Å; T86-E90 PolarHBondContact OG1-N 3.12Å; P88-E90 PolarHBondContact O-N 3.08Å |
| 91 | L | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.9 | 175.9 | -53.5 | 179.2 | 0 | 0 | 0 | 109.6 | V18 H19 V20 I21 L41 L59 L60 V71 V80 L89 | V18-L91 HydrophobicContact CG1-CD1 3.53Å; V18-L91 HydrophobicContact CG1-CG 4.01Å; H19-L91 PolarHBondContact O-N 3.02Å; V20-L91 CarbonylContact C-O 3.28Å; V20-L91 WeakPolarHBondContact CA-O 3.47Å; V20-L91 HydrophobicContact CG2-CB 4.38Å; V20-L91 HydrophobicContact CG2-CD1 4.37Å; I21-L91 PolarHBondContact N-O 3.36Å; L41-L91 HydrophobicContact CD2-CD1 3.55Å; L59-L91 HydrophobicContact CB-CD1 4.48Å; L59-L91 HydrophobicContact CD1-CD1 4.21Å; L60-L91 CarbonylContact O-C 3.57Å; L60-L91 VanDerWaalsContact O-CA 3.27Å; L60-L91 WeakPolarHBondContact O-CA 3.27Å; V71-L91 HydrophobicContact CG2-CD2 4.31Å; V80-L91 HydrophobicContact CG1-CD2 4.2Å; L89-L91 HydrophobicContact CD1-CD2 4.05Å; L89-L91 HydrophobicContact CD2-CD2 4.23Å; L89-L91 HydrophobicContact CG-CD2 3.94Å; L89-L91 HydrophobicContact CG-CG 4.18Å |
| 92 | L | 93.1 | Very high | 86.9 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 38% | 0.382 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129 | 170.3 | -58.7 | 104 | 0 | 0 | 0 | 110.5 | I21 L59 L60 | I21-L92 HydrophobicContact CB-CD2 4.4Å; I21-L92 HydrophobicContact CB-CG 4.31Å; I21-L92 HydrophobicContact CD1-CD2 4.42Å; I21-L92 HydrophobicContact CD1-CG 4.43Å; I21-L92 HydrophobicContact CG2-CD2 4.47Å; L59-L92 WeakPolarHBondContact CA-O 3.32Å; L60-L92 HydrophobicContact CB-CB 4.44Å; L60-L92 PolarHBondContact N-O 3.33Å; L60-L92 PolarHBondContact O-N 3.13Å |
| 93 | F | 95.5 | Very high | 86.9 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133.1 | 166.3 | -179.5 | -96.6 | 0 | 0 | 0 | 109.5 | V20 I21 L22 L23 F42 V45 T46 I49 F57 L59 | V20-F93 HydrophobicContact CG1-CB 4.17Å; I21-F93 PolarHBondContact O-N 3.39Å; L22-F93 HydrophobicContact CD2-CB 4.06Å; L22-F93 HydrophobicContact CD2-CG 4.43Å; L23-F93 HydrophobicContact CD1-CD1 3.92Å; L23-F93 HydrophobicContact CD1-CE1 4.02Å; L23-F93 WeakPolarHBondContact CD2-O 3.33Å; L23-F93 HydrophobicContact CG-CD1 4.09Å; L23-F93 WeakPolarHBondContact CG-O 3.35Å; F42-F93 HydrophobicContact CE2-CD2 4.49Å; F42-F93 HydrophobicContact CE2-CE2 4.02Å; V45-F93 HydrophobicContact CG1-CD2 3.64Å; V45-F93 HydrophobicContact CG1-CE2 4.13Å; V45-F93 HydrophobicContact CG1-CG 4.28Å; T46-F93 HydrophobicContact CG2-CE2 4.2Å; I49-F93 HydrophobicContact CD1-CD1 3.81Å; I49-F93 HydrophobicContact CD1-CD2 3.98Å; I49-F93 HydrophobicContact CD1-CE1 3.6Å; I49-F93 HydrophobicContact CD1-CE2 3.76Å; I49-F93 HydrophobicContact CD1-CG 3.99Å; I49-F93 HydrophobicContact CD1-CZ 3.56Å; F57-F93 HydrophobicContact CB-CE1 4.38Å; F57-F93 HydrophobicContact CB-CE2 3.71Å; F57-F93 HydrophobicContact CB-CZ 3.55Å; F57-F93 AromaticContact CD1-CE1 3.61Å; F57-F93 HydrophobicContact CD1-CE1 3.61Å; F57-F93 HydrophobicContact CD1-CE2 4.46Å; F57-F93 AromaticContact CD1-CZ 3.54Å; F57-F93 HydrophobicContact CD1-CZ 3.54Å; F57-F93 HydrophobicContact CD2-CZ 4.18Å; F57-F93 HydrophobicContact CE1-CE1 4.09Å; F57-F93 HydrophobicContact CE1-CZ 4.27Å; F57-F93 HydrophobicContact CG-CE1 4.07Å; F57-F93 HydrophobicContact CG-CE2 4.19Å; F57-F93 AromaticContact CG-CZ 3.49Å; F57-F93 HydrophobicContact CG-CZ 3.49Å; F57-F93 VanDerWaalsContact CG-CZ 3.49Å; L59-F93 HydrophobicContact CD2-CB 4.23Å; L59-F93 HydrophobicContact CD2-CD2 4.34Å |
| 94 | G | 93.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 168.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F57 G58 K96 Q117 | F57-G94 CarbonylContact C-O 3.54Å; F57-G94 WeakPolarHBondContact CA-O 3.45Å; G58-G94 PolarHBondContact N-O 3.18Å; G58-G94 PolarHBondContact O-N 3.14Å; G94-K96 PolarHBondContact O-N 3.23Å; G94-Q117 VanDerWaalsContact CA-OE1 3.29Å |
| 95 | V | 93.7 | Very high | 87 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.9 | 176.7 | -178 | 0 | 0 | 0 | 0 | 109.2 | F57 F98 Y114 Q117 | F57-V95 HydrophobicContact CD1-CG2 4.09Å; F57-V95 HydrophobicContact CE1-CG2 3.78Å; V95-F98 HydrophobicContact CB-CD2 4.45Å; V95-F98 HydrophobicContact CB-CE1 4.19Å; V95-F98 HydrophobicContact CB-CE2 3.99Å; V95-F98 HydrophobicContact CB-CZ 3.87Å; V95-F98 HydrophobicContact CG1-CD1 4.03Å; V95-F98 HydrophobicContact CG1-CD2 3.85Å; V95-F98 HydrophobicContact CG1-CE1 4.1Å; V95-F98 HydrophobicContact CG1-CE2 3.9Å; V95-F98 HydrophobicContact CG1-CG 3.92Å; V95-F98 HydrophobicContact CG1-CZ 4.05Å; V95-F98 WeakPolarHBondContact O-CE2 3.47Å; V95-Y114 HydrophobicContact CG1-CD1 4.44Å; V95-Y114 HydrophobicContact CG1-CD2 4.47Å; V95-Y114 HydrophobicContact CG1-CE1 3.95Å; V95-Y114 HydrophobicContact CG1-CE2 3.99Å; V95-Y114 HydrophobicContact CG2-CD2 3.96Å; V95-Y114 HydrophobicContact CG2-CE2 4.23Å; V95-Y114 HydrophobicContact CG2-CG 4.16Å; V95-Q117 HydrophobicContact CB-CB 4.44Å; V95-Q117 HydrophobicContact CB-CG 4.02Å; V95-Q117 HydrophobicContact CG2-CB 3.77Å; V95-Q117 HydrophobicContact CG2-CG 3.92Å |
| 96 | K | 92.3 | Very high | 87.2 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -95.3 | -32.3 | -179.8 | -174.2 | 168.7 | -178.9 | 177.6 | 0 | 112.4 | Y56 W70 G94 E292 Q293 | Y56-K96 PolarHBondContact O-N 3.17Å; W70-K96 HydrophobicContact CB-CD 4.49Å; W70-K96 HydrophobicContact CD2-CB 4.41Å; W70-K96 HydrophobicContact CD2-CD 3.72Å; W70-K96 HydrophobicContact CD2-CG 3.85Å; W70-K96 HydrophobicContact CE3-CB 4.3Å; W70-K96 HydrophobicContact CE3-CD 3.9Å; W70-K96 HydrophobicContact CE3-CG 4.16Å; W70-K96 HydrophobicContact CG-CD 3.97Å; W70-K96 HydrophobicContact CG-CG 4.36Å; W70-K96 HydrophobicContact CH2-CB 3.81Å; W70-K96 HydrophobicContact CH2-CG 4.24Å; W70-K96 HydrophobicContact CZ2-CB 3.9Å; W70-K96 HydrophobicContact CZ2-CG 3.91Å; W70-K96 HydrophobicContact CZ3-CB 4.01Å; W70-K96 HydrophobicContact CZ3-CD 4.45Å; W70-K96 HydrophobicContact CZ3-CG 4.35Å; G94-K96 PolarHBondContact O-N 3.23Å; K96-E292 WeakPolarHBondContact CE-OE2 3.33Å; K96-E292 IonicContact NZ-OE2 2.63Å; K96-E292 PolarHBondContact NZ-OE2 2.86Å; K96-Q293 PolarHBondContact O-NE2 3.36Å |
| 97 | F | 92.2 | Very high | 87.7 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 10% | 0.096 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -129 | 81.2 | -173.5 | -56.4 | -77.4 | 0 | 0 | 0 | 112.7 | E55 Y56 T99 Y114 Q293 F296 | E55-F97 VanDerWaalsContact O-CD2 3.3Å; E55-F97 WeakPolarHBondContact O-CD2 3.5Å; Y56-F97 HydrophobicContact CD1-CB 4.4Å; Y56-F97 WeakPolarHBondContact CD1-O 3.25Å; Y56-F97 PolarHBondContact O-N 3.05Å; F97-T99 PolarHBondContact O-N 3.41Å; F97-Y114 PolarHBondContact O-OH 3.23Å; F97-Q293 HydrophobicContact CD1-CG 4.4Å; F97-Q293 HydrophobicContact CE1-CG 4.48Å; F97-F296 HydrophobicContact CB-CD1 3.69Å; F97-F296 HydrophobicContact CB-CD2 4.31Å; F97-F296 HydrophobicContact CB-CE1 3.54Å; F97-F296 HydrophobicContact CB-CE2 4.18Å; F97-F296 HydrophobicContact CB-CG 4.09Å; F97-F296 HydrophobicContact CB-CZ 3.81Å; F97-F296 HydrophobicContact CD1-CB 3.57Å; F97-F296 AromaticContact CD1-CD1 3.75Å; F97-F296 HydrophobicContact CD1-CD1 3.75Å; F97-F296 AromaticContact CD1-CD2 3.96Å; F97-F296 HydrophobicContact CD1-CD2 3.96Å; F97-F296 HydrophobicContact CD1-CE1 4.46Å; F97-F296 AromaticContact CD1-CG 3.47Å; F97-F296 HydrophobicContact CD1-CG 3.47Å; F97-F296 VanDerWaalsContact CD1-CG 3.47Å; F97-F296 AromaticContact CD2-CD2 3.67Å; F97-F296 HydrophobicContact CD2-CD2 3.67Å; F97-F296 AromaticContact CD2-CE2 3.81Å; F97-F296 HydrophobicContact CD2-CE2 3.81Å; F97-F296 HydrophobicContact CD2-CG 4.06Å; F97-F296 HydrophobicContact CD2-CZ 4.29Å; F97-F296 HydrophobicContact CE1-CB 3.49Å; F97-F296 VanDerWaalsContact CE1-CB 3.49Å; F97-F296 HydrophobicContact CE1-CD2 4.15Å; F97-F296 AromaticContact CE1-CG 3.82Å; F97-F296 HydrophobicContact CE1-CG 3.82Å; F97-F296 AromaticContact CE2-CD2 3.85Å; F97-F296 HydrophobicContact CE2-CD2 3.85Å; F97-F296 HydrophobicContact CE2-CE2 4.31Å; F97-F296 HydrophobicContact CE2-CG 4.33Å; F97-F296 HydrophobicContact CG-CB 4.22Å; F97-F296 AromaticContact CG-CD1 3.75Å; F97-F296 HydrophobicContact CG-CD1 3.75Å; F97-F296 AromaticContact CG-CD2 3.73Å; F97-F296 HydrophobicContact CG-CD2 3.73Å; F97-F296 HydrophobicContact CG-CE1 4Å; F97-F296 AromaticContact CG-CE2 3.98Å; F97-F296 HydrophobicContact CG-CE2 3.98Å; F97-F296 AromaticContact CG-CG 3.61Å; F97-F296 HydrophobicContact CG-CG 3.61Å; F97-F296 HydrophobicContact CG-CZ 4.11Å; F97-F296 HydrophobicContact CZ-CB 4.06Å; F97-F296 HydrophobicContact CZ-CD2 4.09Å; F97-F296 HydrophobicContact CZ-CG 4.22Å |
| 98 | F | 91.7 | Very high | 88.1 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | trans | -64.7 | 114.4 | -178.8 | -69 | -102.4 | 0 | 0 | 0 | 113 | V95 Y114 Q117 I118 Y206 | V95-F98 HydrophobicContact CB-CD2 4.45Å; V95-F98 HydrophobicContact CB-CE1 4.19Å; V95-F98 HydrophobicContact CB-CE2 3.99Å; V95-F98 HydrophobicContact CB-CZ 3.87Å; V95-F98 HydrophobicContact CG1-CD1 4.03Å; V95-F98 HydrophobicContact CG1-CD2 3.85Å; V95-F98 HydrophobicContact CG1-CE1 4.1Å; V95-F98 HydrophobicContact CG1-CE2 3.9Å; V95-F98 HydrophobicContact CG1-CG 3.92Å; V95-F98 HydrophobicContact CG1-CZ 4.05Å; V95-F98 WeakPolarHBondContact O-CE2 3.47Å; F98-Y114 HydrophobicContact CD1-CE1 4.36Å; F98-Q117 HydrophobicContact CE1-CG 3.99Å; F98-Q117 HydrophobicContact CZ-CG 3.66Å; F98-I118 HydrophobicContact CE1-CD1 4.02Å; F98-Y206 HydrophobicContact CB-CE1 4.1Å; F98-Y206 HydrophobicContact CD1-CE2 4.19Å | ||
| 99 | T | 89 | Confident | 88.5 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | trans | -65.7 | 138.6 | 170.9 | 178.1 | 0 | 0 | 0 | 0 | 112.2 | F97 Y101 L105 Y114 Y206 | F97-T99 PolarHBondContact O-N 3.41Å; T99-Y101 PolarHBondContact O-N 3.35Å; T99-Y101 PolarHBondContact OG1-N 2.9Å; T99-Y101 VanDerWaalsContact OG1-N 3.09Å; T99-Y101 PolarHBondContact OG1-O 3.3Å; T99-L105 HydrophobicContact CG2-CD1 4.42Å; T99-L105 HydrophobicContact CG2-CD2 4.02Å; T99-L105 HydrophobicContact CG2-CG 4.19Å; T99-Y114 HydrophobicContact CG2-CE1 3.95Å; T99-Y114 PolarHBondContact N-OH 3.37Å; T99-Y206 VanDerWaalsContact O-CE1 3.3Å; T99-Y206 WeakPolarHBondContact O-CE1 3.4Å; T99-Y206 PolarHBondContact O-OH 2.88Å | ||
| 100 | P | 84.7 | Confident | 88.7 | Confident | 28 Ų | 28 | 43 Ų | 43 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -70 | -14.8 | 168.6 | 26.3 | -32 | 0 | 0 | 0 | 114 | ||
| 101 | Y | 83.5 | Confident | 88.8 | Confident | 128 Ų | 128 | 40.5 Ų | 40.5 | 50% | 0.502 | 20% | 0.199 | S | C | . | . | trans | -126.7 | 81.4 | -175.4 | -59.8 | -63.8 | 0 | 0 | 0 | 109.4 | T99 N103 L104 | T99-Y101 PolarHBondContact O-N 3.35Å; T99-Y101 PolarHBondContact OG1-N 2.9Å; T99-Y101 VanDerWaalsContact OG1-N 3.09Å; T99-Y101 PolarHBondContact OG1-O 3.3Å; Y101-N103 PolarHBondContact O-N 3.27Å; Y101-N103 VanDerWaalsContact O-N 3.14Å; Y101-L104 HydrophobicContact CD2-CD1 4.28Å; Y101-L104 HydrophobicContact CG-CD1 4.32Å; Y101-L104 WeakPolarHBondContact O-CB 3.23Å; Y101-L104 PolarHBondContact O-N 2.86Å | ||
| 102 | P | 84 | Confident | 88.8 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -64.9 | -14.9 | 179.5 | 27.2 | -35 | 0 | 0 | 0 | 113 | L104 L105 L197 | P102-L104 PolarHBondContact O-N 3.32Å; P102-L105 HydrophobicContact CB-CD1 4.45Å; P102-L105 PolarHBondContact O-N 3.3Å; P102-L197 HydrophobicContact CB-CB 3.86Å; P102-L197 HydrophobicContact CB-CD1 4.07Å; P102-L197 HydrophobicContact CG-CB 3.9Å |
| 103 | N | 81.3 | Confident | 88.8 | Confident | 83 Ų | 83 | 39.8 Ų | 39.8 | 44% | 0.444 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -73.9 | 3.7 | 169.6 | 71 | -84.7 | 0 | 0 | 0 | 114.2 | Y101 Y194 | Y101-N103 PolarHBondContact O-N 3.27Å; Y101-N103 VanDerWaalsContact O-N 3.14Å; N103-Y194 HydrophobicContact CB-CE2 3.87Å |
| 104 | L | 81.6 | Confident | 88.8 | Confident | 107 Ų | 107 | 39.5 Ų | 39.5 | 56% | 0.56 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -106.7 | -0.2 | 171.9 | -59.8 | -179.1 | 0 | 0 | 0 | 112.8 | Y101 P102 E106 | Y101-L104 HydrophobicContact CD2-CD1 4.28Å; Y101-L104 HydrophobicContact CG-CD1 4.32Å; Y101-L104 WeakPolarHBondContact O-CB 3.23Å; Y101-L104 PolarHBondContact O-N 2.86Å; P102-L104 PolarHBondContact O-N 3.32Å; L104-E106 PolarHBondContact O-N 2.73Å |
| 105 | L | 87.2 | Confident | 88.8 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | trans | -73.8 | 111.5 | 171.1 | -60 | 174.7 | 0 | 0 | 0 | 108.2 | Y56 T99 P102 D107 T110 R111 Y114 | Y56-L105 HydrophobicContact CD2-CD2 4.08Å; Y56-L105 HydrophobicContact CE2-CD2 3.66Å; T99-L105 HydrophobicContact CG2-CD1 4.42Å; T99-L105 HydrophobicContact CG2-CD2 4.02Å; T99-L105 HydrophobicContact CG2-CG 4.19Å; P102-L105 HydrophobicContact CB-CD1 4.45Å; P102-L105 PolarHBondContact O-N 3.3Å; L105-D107 VanDerWaalsContact C-N 3.34Å; L105-T110 HydrophobicContact CD1-CG2 4.37Å; L105-T110 HydrophobicContact CD2-CG2 3.98Å; L105-R111 HydrophobicContact CD1-CB 4.45Å; L105-R111 HydrophobicContact CD1-CG 4.44Å; L105-R111 PolarHBondContact O-NH2 3.1Å; L105-Y114 HydrophobicContact CD1-CD1 4.23Å; L105-Y114 HydrophobicContact CD1-CD2 3.88Å; L105-Y114 HydrophobicContact CD1-CE1 4.4Å; L105-Y114 HydrophobicContact CD1-CE2 4.05Å; L105-Y114 HydrophobicContact CD1-CG 3.94Å; L105-Y114 HydrophobicContact CD2-CE2 4.15Å | ||
| 106 | E | 80.2 | Confident | 88.9 | Confident | 160 Ų | 160 | 39.4 Ų | 39.4 | 75% | 0.748 | 19% | 0.189 | S | C | * | . | trans | -71.2 | -32.6 | -177.7 | -64.2 | -172.6 | 153.3 | 0 | 0 | 111.3 | E53 L104 | E53-E106 PolarHBondContact OE2-N 2.94Å; L104-E106 PolarHBondContact O-N 2.73Å | ||
| 107 | D | 86.6 | Confident | 89 | Confident | 27 Ų | 27 | 39 Ų | 39 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | trans | -94.1 | 125.7 | -177.6 | 170.4 | 32.6 | 0 | 0 | 0 | 112.3 | E53 L105 L109 T110 R111 | E53-D107 HydrophobicContact CG-CB 4.11Å; E53-D107 PolarHBondContact OE2-N 2.95Å; L105-D107 VanDerWaalsContact C-N 3.34Å; D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 3.21Å; D107-L109 WeakPolarHBondContact OD1-CB 3.28Å; D107-L109 PolarHBondContact OD1-N 2.76Å; D107-T110 PolarHBondContact O-N 3.3Å; D107-T110 VanDerWaalsContact OD2-CB 3.3Å; D107-T110 WeakPolarHBondContact OD2-CB 3.41Å; D107-T110 PolarHBondContact OD2-N 3.1Å; D107-T110 PolarHBondContact OD2-OG1 3.11Å; D107-R111 PolarHBondContact O-N 3.01Å | ||
| 108 | D | 87.2 | Confident | 89.1 | Confident | 70 Ų | 70 | 38 Ų | 38 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.4 | -32.3 | 178 | -77.9 | 2.4 | 0 | 0 | 0 | 112.2 | R111 Y112 Y407 | D108-R111 WeakPolarHBondContact O-CB 3.48Å; D108-R111 PolarHBondContact O-N 3.44Å; D108-R111 IonicContact OD1-CZ 3.29Å; D108-R111 IonicContact OD1-NH1 3.59Å; D108-R111 PolarHBondContact OD1-NH1 3.39Å; D108-R111 IonicContact OD1-NH2 3.32Å; D108-R111 PolarHBondContact OD1-NH2 3.2Å; D108-Y112 PolarHBondContact O-N 3.45Å; D108-Y407 HydrophobicContact CB-CD1 4.46Å; D108-Y407 HydrophobicContact CB-CE1 3.85Å; D108-Y407 PolarHBondContact O-OH 2.88Å |
| 109 | L | 90.5 | Very high | 89.1 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 174.5 | 173.3 | 61.3 | 0 | 0 | 0 | 110.9 | T51 D107 R111 Y112 L113 | T51-L109 HydrophobicContact CG2-CD2 3.97Å; T51-L109 HydrophobicContact CG2-CG 4.06Å; D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 3.21Å; D107-L109 WeakPolarHBondContact OD1-CB 3.28Å; D107-L109 PolarHBondContact OD1-N 2.76Å; L109-R111 VanDerWaalsContact C-N 3.25Å; L109-R111 PolarHBondContact O-N 2.72Å; L109-Y112 HydrophobicContact CD1-CD1 4.29Å; L109-Y112 WeakPolarHBondContact O-CB 3.25Å; L109-Y112 PolarHBondContact O-N 3.28Å; L109-L113 HydrophobicContact CD1-CD1 4.21Å; L109-L113 HydrophobicContact CD1-CG 4.31Å; L109-L113 HydrophobicContact CG-CD1 4.11Å; L109-L113 WeakPolarHBondContact O-CG 3.31Å; L109-L113 PolarHBondContact O-N 3.05Å |
| 110 | T | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.6 | -40.7 | 171.4 | -67.9 | 0 | 0 | 0 | 0 | 111.1 | E53 Y56 F57 L105 D107 L113 Y114 | E53-T110 HydrophobicContact CB-CG2 3.95Å; Y56-T110 HydrophobicContact CD2-CG2 4.32Å; F57-T110 HydrophobicContact CE2-CG2 3.97Å; F57-T110 HydrophobicContact CZ-CG2 4.02Å; L105-T110 HydrophobicContact CD1-CG2 4.37Å; L105-T110 HydrophobicContact CD2-CG2 3.98Å; D107-T110 PolarHBondContact O-N 3.3Å; D107-T110 VanDerWaalsContact OD2-CB 3.3Å; D107-T110 WeakPolarHBondContact OD2-CB 3.41Å; D107-T110 PolarHBondContact OD2-N 3.1Å; D107-T110 PolarHBondContact OD2-OG1 3.11Å; T110-L113 PolarHBondContact O-N 2.88Å; T110-Y114 HydrophobicContact CG2-CD2 4.17Å; T110-Y114 HydrophobicContact CG2-CE2 4.19Å; T110-Y114 WeakPolarHBondContact O-CD2 3.37Å; T110-Y114 PolarHBondContact O-N 3.02Å |
| 111 | R | 92.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 38.2 Ų | 38.2 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.4 | -159.9 | -178.4 | -51.3 | 113.3 | 20.6 | 112.9 | L105 D107 D108 L109 Y114 A115 L197 | L105-R111 HydrophobicContact CD1-CB 4.45Å; L105-R111 HydrophobicContact CD1-CG 4.44Å; L105-R111 PolarHBondContact O-NH2 3.1Å; D107-R111 PolarHBondContact O-N 3.01Å; D108-R111 WeakPolarHBondContact O-CB 3.48Å; D108-R111 PolarHBondContact O-N 3.44Å; D108-R111 IonicContact OD1-CZ 3.29Å; D108-R111 IonicContact OD1-NH1 3.59Å; D108-R111 PolarHBondContact OD1-NH1 3.39Å; D108-R111 IonicContact OD1-NH2 3.32Å; D108-R111 PolarHBondContact OD1-NH2 3.2Å; L109-R111 VanDerWaalsContact C-N 3.25Å; L109-R111 PolarHBondContact O-N 2.72Å; R111-Y114 WeakPolarHBondContact O-CB 3.23Å; R111-Y114 PolarHBondContact O-N 3.3Å; R111-A115 PolarHBondContact O-N 3.33Å; R111-L197 HydrophobicContact CG-CD1 3.64Å |
| 112 | Y | 92.8 | Very high | 90 | Very high | 45 Ų | 45 | 32.2 Ų | 32.2 | 18% | 0.176 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 174 | 173 | -113.5 | 0 | 0 | 0 | 112.2 | D108 L109 Y114 A115 L116 Y407 | D108-Y112 PolarHBondContact O-N 3.45Å; L109-Y112 HydrophobicContact CD1-CD1 4.29Å; L109-Y112 WeakPolarHBondContact O-CB 3.25Å; L109-Y112 PolarHBondContact O-N 3.28Å; Y112-Y114 VanDerWaalsContact C-N 3.33Å; Y112-Y114 PolarHBondContact O-N 3.42Å; Y112-A115 CarbonylContact O-C 3.43Å; Y112-A115 WeakPolarHBondContact O-CA 3.42Å; Y112-A115 WeakPolarHBondContact O-CB 3.38Å; Y112-A115 PolarHBondContact O-N 3.33Å; Y112-L116 HydrophobicContact CD1-CD1 4.09Å; Y112-L116 HydrophobicContact CE1-CD1 3.5Å; Y112-L116 HydrophobicContact CE1-CG 4.15Å; Y112-L116 HydrophobicContact CE2-CD1 4.31Å; Y112-L116 HydrophobicContact CE2-CD2 4.21Å; Y112-L116 HydrophobicContact CE2-CG 4.09Å; Y112-L116 PolarHBondContact O-N 2.9Å; Y112-Y407 HydrophobicContact CD2-CE2 4.27Å; Y112-Y407 HydrophobicContact CG-CE2 4.19Å |
| 113 | L | 94.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -36.8 | 176.9 | -68.1 | 164.6 | 0 | 0 | 0 | 112.2 | L23 I49 T51 F57 L109 T110 L116 Q117 | L23-L113 HydrophobicContact CB-CD2 4.31Å; L23-L113 HydrophobicContact CD1-CB 4.1Å; L23-L113 HydrophobicContact CD1-CD2 4.16Å; I49-L113 HydrophobicContact CG2-CD1 3.92Å; I49-L113 HydrophobicContact CG2-CD2 4.42Å; T51-L113 HydrophobicContact CG2-CD1 3.21Å; F57-L113 HydrophobicContact CE1-CB 3.8Å; F57-L113 HydrophobicContact CE1-CD1 4.35Å; F57-L113 HydrophobicContact CZ-CB 3.84Å; F57-L113 HydrophobicContact CZ-CD1 4.02Å; L109-L113 HydrophobicContact CD1-CD1 4.21Å; L109-L113 HydrophobicContact CD1-CG 4.31Å; L109-L113 HydrophobicContact CG-CD1 4.11Å; L109-L113 WeakPolarHBondContact O-CG 3.31Å; L109-L113 PolarHBondContact O-N 3.05Å; T110-L113 PolarHBondContact O-N 2.88Å; L113-L116 HydrophobicContact CD2-CD1 4.37Å; L113-L116 PolarHBondContact O-N 3.37Å; L113-Q117 PolarHBondContact O-N 3.14Å |
| 114 | Y | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 169.3 | -100.1 | -108.1 | 0 | 0 | 0 | 112.1 | Y56 F57 V95 F97 F98 T99 L105 T110 R111 Y112 Q117 I118 | Y56-Y114 VanDerWaalsContact CD1-OH 3.27Å; Y56-Y114 WeakPolarHBondContact CD1-OH 3.43Å; Y56-Y114 HydrophobicContact CD2-CE2 4.46Å; Y56-Y114 HydrophobicContact CG-CE2 4.15Å; F57-Y114 HydrophobicContact CZ-CD2 4.26Å; F57-Y114 HydrophobicContact CZ-CE2 4.46Å; V95-Y114 HydrophobicContact CG1-CD1 4.44Å; V95-Y114 HydrophobicContact CG1-CD2 4.47Å; V95-Y114 HydrophobicContact CG1-CE1 3.95Å; V95-Y114 HydrophobicContact CG1-CE2 3.99Å; V95-Y114 HydrophobicContact CG2-CD2 3.96Å; V95-Y114 HydrophobicContact CG2-CE2 4.23Å; V95-Y114 HydrophobicContact CG2-CG 4.16Å; F97-Y114 PolarHBondContact O-OH 3.23Å; F98-Y114 HydrophobicContact CD1-CE1 4.36Å; T99-Y114 HydrophobicContact CG2-CE1 3.95Å; T99-Y114 PolarHBondContact N-OH 3.37Å; L105-Y114 HydrophobicContact CD1-CD1 4.23Å; L105-Y114 HydrophobicContact CD1-CD2 3.88Å; L105-Y114 HydrophobicContact CD1-CE1 4.4Å; L105-Y114 HydrophobicContact CD1-CE2 4.05Å; L105-Y114 HydrophobicContact CD1-CG 3.94Å; L105-Y114 HydrophobicContact CD2-CE2 4.15Å; T110-Y114 HydrophobicContact CG2-CD2 4.17Å; T110-Y114 HydrophobicContact CG2-CE2 4.19Å; T110-Y114 WeakPolarHBondContact O-CD2 3.37Å; T110-Y114 PolarHBondContact O-N 3.02Å; R111-Y114 WeakPolarHBondContact O-CB 3.23Å; R111-Y114 PolarHBondContact O-N 3.3Å; Y112-Y114 VanDerWaalsContact C-N 3.33Å; Y112-Y114 PolarHBondContact O-N 3.42Å; Y114-Q117 PolarHBondContact O-N 2.69Å; Y114-I118 WeakPolarHBondContact O-CG1 3.16Å; Y114-I118 PolarHBondContact O-N 2.94Å |
| 115 | A | 94.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R111 Y112 I118 R119 D193 L196 | R111-A115 PolarHBondContact O-N 3.33Å; Y112-A115 CarbonylContact O-C 3.43Å; Y112-A115 WeakPolarHBondContact O-CA 3.42Å; Y112-A115 WeakPolarHBondContact O-CB 3.38Å; Y112-A115 PolarHBondContact O-N 3.33Å; A115-I118 PolarHBondContact O-N 3.43Å; A115-R119 WeakPolarHBondContact O-CB 3.43Å; A115-R119 PolarHBondContact O-N 3.32Å; A115-D193 HydrophobicContact CB-CB 3.62Å; A115-L196 HydrophobicContact CB-CD2 4.22Å |
| 116 | L | 94.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 171.7 | -71.7 | 179.5 | 0 | 0 | 0 | 112.5 | L23 D24 Y112 L113 I118 R119 N120 | L23-L116 HydrophobicContact CB-CB 4.02Å; L23-L116 HydrophobicContact CB-CD1 4.21Å; D24-L116 HydrophobicContact CB-CD1 4.18Å; Y112-L116 HydrophobicContact CD1-CD1 4.09Å; Y112-L116 HydrophobicContact CE1-CD1 3.5Å; Y112-L116 HydrophobicContact CE1-CG 4.15Å; Y112-L116 HydrophobicContact CE2-CD1 4.31Å; Y112-L116 HydrophobicContact CE2-CD2 4.21Å; Y112-L116 HydrophobicContact CE2-CG 4.09Å; Y112-L116 PolarHBondContact O-N 2.9Å; L113-L116 HydrophobicContact CD2-CD1 4.37Å; L113-L116 PolarHBondContact O-N 3.37Å; L116-I118 PolarHBondContact O-N 2.85Å; L116-R119 WeakPolarHBondContact O-CB 3.32Å; L116-R119 PolarHBondContact O-N 3.17Å; L116-N120 WeakPolarHBondContact O-CB 3.08Å; L116-N120 PolarHBondContact O-N 3.26Å; L116-N120 PolarHBondContact O-ND2 3.37Å; L116-N120 PolarHBondContact O-OD1 2.89Å |
| 117 | Q | 95 | Very high | 90.7 | Very high | 17 Ų | 17 | 26 Ų | 26 | 8% | 0.079 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 173.4 | -178.2 | 73.1 | 79 | 0 | 0 | 111.1 | L23 G94 V95 F98 L113 Y114 R119 N120 D121 | L23-Q117 HydrophobicContact CD2-CB 4.1Å; G94-Q117 VanDerWaalsContact CA-OE1 3.29Å; V95-Q117 HydrophobicContact CB-CB 4.44Å; V95-Q117 HydrophobicContact CB-CG 4.02Å; V95-Q117 HydrophobicContact CG2-CB 3.77Å; V95-Q117 HydrophobicContact CG2-CG 3.92Å; F98-Q117 HydrophobicContact CE1-CG 3.99Å; F98-Q117 HydrophobicContact CZ-CG 3.66Å; L113-Q117 PolarHBondContact O-N 3.14Å; Y114-Q117 PolarHBondContact O-N 2.69Å; Q117-R119 PolarHBondContact O-N 3.23Å; Q117-N120 PolarHBondContact O-N 2.92Å; Q117-D121 PolarHBondContact NE2-OD1 3.17Å; Q117-D121 WeakPolarHBondContact O-CB 3.48Å; Q117-D121 PolarHBondContact O-N 3.39Å |
| 118 | I | 93.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.2 | -36.1 | 178.7 | -70.5 | -60 | 0 | 0 | 0 | 112.3 | F98 Y114 A115 L116 F122 L127 L196 L197 A200 Y206 | F98-I118 HydrophobicContact CE1-CD1 4.02Å; Y114-I118 WeakPolarHBondContact O-CG1 3.16Å; Y114-I118 PolarHBondContact O-N 2.94Å; A115-I118 PolarHBondContact O-N 3.43Å; L116-I118 PolarHBondContact O-N 2.85Å; I118-F122 VanDerWaalsContact O-CB 3.27Å; I118-F122 WeakPolarHBondContact O-CB 3.27Å; I118-F122 PolarHBondContact O-N 3.5Å; I118-L127 HydrophobicContact CG2-CD2 4.04Å; I118-L196 HydrophobicContact CG2-CD1 4.37Å; I118-L196 HydrophobicContact CG2-CD2 4.32Å; I118-L196 HydrophobicContact CG2-CG 4.11Å; I118-L197 HydrophobicContact CB-CD2 4.4Å; I118-L197 HydrophobicContact CG1-CD2 3.81Å; I118-A200 HydrophobicContact CD1-CB 4.38Å; I118-A200 HydrophobicContact CG1-CB 4.41Å; I118-A200 HydrophobicContact CG2-CB 3.7Å; I118-Y206 HydrophobicContact CD1-CD2 3.75Å; I118-Y206 HydrophobicContact CD1-CE2 3.84Å; I118-Y206 HydrophobicContact CG1-CE2 4.34Å |
| 119 | R | 93.2 | Very high | 90.4 | Very high | 24 Ų | 24 | 23.5 Ų | 23.5 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.7 | -52.4 | 169.9 | -178.1 | -162.9 | 75.1 | 163.8 | 1.4 | 110.5 | L23 A115 L116 Q117 F122 F123 I141 L165 | L23-R119 PolarHBondContact O-NH2 2.98Å; A115-R119 WeakPolarHBondContact O-CB 3.43Å; A115-R119 PolarHBondContact O-N 3.32Å; L116-R119 WeakPolarHBondContact O-CB 3.32Å; L116-R119 PolarHBondContact O-N 3.17Å; Q117-R119 PolarHBondContact O-N 3.23Å; R119-F122 WeakPolarHBondContact O-CB 3.36Å; R119-F122 PolarHBondContact O-N 2.73Å; R119-F123 HydrophobicContact CG-CD2 4.03Å; R119-F123 HydrophobicContact CG-CE2 3.77Å; R119-F123 WeakPolarHBondContact O-CD2 3.4Å; R119-F123 PolarHBondContact O-N 2.81Å; R119-I141 HydrophobicContact CB-CD1 4.32Å; R119-I141 HydrophobicContact CB-CG1 4.48Å; R119-I141 HydrophobicContact CG-CD1 4.24Å; R119-I141 HydrophobicContact CG-CG1 4.38Å; R119-I141 HydrophobicContact CG-CG2 4Å; R119-L165 HydrophobicContact CG-CD1 4.34Å |
| 120 | N | 92.3 | Very high | 90.2 | Very high | 34 Ų | 34 | 25.5 Ų | 25.5 | 18% | 0.182 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | -177.9 | -60.7 | -7.9 | 0 | 0 | 0 | 110.8 | L23 L116 Q117 F122 F123 Q124 | L23-N120 PolarHBondContact O-ND2 3.36Å; L116-N120 WeakPolarHBondContact O-CB 3.08Å; L116-N120 PolarHBondContact O-N 3.26Å; L116-N120 PolarHBondContact O-ND2 3.37Å; L116-N120 PolarHBondContact O-OD1 2.89Å; Q117-N120 PolarHBondContact O-N 2.92Å; N120-F122 VanDerWaalsContact C-N 3.27Å; N120-F122 PolarHBondContact O-N 2.92Å; N120-F123 PolarHBondContact O-N 3.15Å; N120-Q124 VanDerWaalsContact O-CB 3.28Å; N120-Q124 WeakPolarHBondContact O-CB 3.45Å; N120-Q124 VanDerWaalsContact O-CG 3.23Å; N120-Q124 WeakPolarHBondContact O-CG 3.35Å; N120-Q124 PolarHBondContact O-N 2.91Å |
| 121 | D | 91.6 | Very high | 90 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -34.4 | 174.7 | -74 | 17.4 | 0 | 0 | 0 | 113.2 | Q117 G125 L126 L127 R209 | Q117-D121 PolarHBondContact NE2-OD1 3.17Å; Q117-D121 WeakPolarHBondContact O-CB 3.48Å; Q117-D121 PolarHBondContact O-N 3.39Å; D121-G125 PolarHBondContact O-N 2.8Å; D121-L126 HydrophobicContact CB-CB 4.4Å; D121-L126 WeakPolarHBondContact O-CB 3.39Å; D121-L126 PolarHBondContact O-N 3.25Å; D121-L127 HydrophobicContact CB-CB 4.37Å; D121-L127 PolarHBondContact O-N 3.01Å; D121-L127 VanDerWaalsContact O-N 3.09Å; D121-R209 IonicContact OD1-CZ 3.08Å; D121-R209 IonicContact OD1-NH1 2.82Å; D121-R209 IonicContact OD1-NH2 3.58Å; D121-R209 PolarHBondContact OD1-NH2 3.38Å; D121-R209 IonicContact OD2-CZ 3.67Å; D121-R209 IonicContact OD2-NH1 2.72Å; D121-R209 PolarHBondContact OD2-NH1 3.36Å; D121-R209 IonicContact OD2-NH2 2.69Å; D121-R209 PolarHBondContact OD2-NH2 2.79Å |
| 122 | F | 90.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.7 | -51.2 | 179.1 | 177.5 | -103.1 | 0 | 0 | 0 | 111.6 | I118 R119 N120 G125 S134 L137 A138 I141 F446 | I118-F122 VanDerWaalsContact O-CB 3.27Å; I118-F122 WeakPolarHBondContact O-CB 3.27Å; I118-F122 PolarHBondContact O-N 3.5Å; R119-F122 WeakPolarHBondContact O-CB 3.36Å; R119-F122 PolarHBondContact O-N 2.73Å; N120-F122 VanDerWaalsContact C-N 3.27Å; N120-F122 PolarHBondContact O-N 2.92Å; F122-G125 PolarHBondContact O-N 2.87Å; F122-S134 WeakPolarHBondContact CZ-O 3.42Å; F122-L137 HydrophobicContact CD2-CB 4.42Å; F122-L137 HydrophobicContact CD2-CD1 4.14Å; F122-L137 HydrophobicContact CE2-CB 4.22Å; F122-L137 HydrophobicContact CE2-CD1 4.23Å; F122-A138 HydrophobicContact CE1-CB 4.11Å; F122-A138 HydrophobicContact CZ-CB 4.18Å; F122-I141 HydrophobicContact CD1-CD1 4Å; F122-I141 HydrophobicContact CG-CD1 4.43Å; F122-F446 HydrophobicContact CD1-CD2 4.42Å; F122-F446 HydrophobicContact CE1-CB 4.24Å; F122-F446 AromaticContact CE1-CD2 3.56Å; F122-F446 HydrophobicContact CE1-CD2 3.56Å; F122-F446 HydrophobicContact CE1-CE2 4.23Å; F122-F446 HydrophobicContact CE1-CG 4.12Å; F122-F446 HydrophobicContact CZ-CB 4.31Å; F122-F446 AromaticContact CZ-CD2 3.85Å; F122-F446 HydrophobicContact CZ-CD2 3.85Å; F122-F446 HydrophobicContact CZ-CG 4.48Å; F122-F446 WeakPolarHBondContact O-CB 3.28Å |
| 123 | F | 88.1 | Confident | 89.8 | Confident | 33 Ų | 33 | 34.7 Ų | 34.7 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.2 | -32.3 | 179.5 | -66.5 | -67.7 | 0 | 0 | 0 | 113.2 | R119 N120 G125 I141 L165 F166 F446 | R119-F123 HydrophobicContact CG-CD2 4.03Å; R119-F123 HydrophobicContact CG-CE2 3.77Å; R119-F123 WeakPolarHBondContact O-CD2 3.4Å; R119-F123 PolarHBondContact O-N 2.81Å; N120-F123 PolarHBondContact O-N 3.15Å; F123-G125 PolarHBondContact O-N 3.2Å; F123-I141 HydrophobicContact CE2-CD1 4.11Å; F123-I141 HydrophobicContact CE2-CG2 4.04Å; F123-I141 HydrophobicContact CZ-CD1 4.43Å; F123-I141 HydrophobicContact CZ-CG2 4.22Å; F123-L165 WeakPolarHBondContact CD1-O 3.27Å; F123-L165 HydrophobicContact CD2-CB 4.46Å; F123-L165 HydrophobicContact CD2-CD2 4.11Å; F123-L165 HydrophobicContact CE1-CB 4.09Å; F123-L165 WeakPolarHBondContact CE1-O 3.36Å; F123-L165 HydrophobicContact CE2-CB 3.93Å; F123-L165 HydrophobicContact CE2-CD1 3.83Å; F123-L165 HydrophobicContact CE2-CD2 4.18Å; F123-L165 HydrophobicContact CE2-CG 4.2Å; F123-L165 HydrophobicContact CZ-CB 3.73Å; F123-L165 HydrophobicContact CZ-CD1 4.29Å; F123-L165 HydrophobicContact CZ-CG 4.48Å; F123-F166 HydrophobicContact CE1-CD1 4.03Å; F123-F166 HydrophobicContact CE1-CE1 4.01Å; F123-F166 HydrophobicContact CZ-CD1 4.07Å; F123-F166 AromaticContact CZ-CE1 3.64Å; F123-F166 HydrophobicContact CZ-CE1 3.64Å; F123-F166 HydrophobicContact CZ-CZ 4.22Å; F123-F446 AromaticContact CD1-CD1 3.7Å; F123-F446 HydrophobicContact CD1-CD1 3.7Å; F123-F446 HydrophobicContact CD1-CD2 4.27Å; F123-F446 AromaticContact CD1-CE1 3.6Å; F123-F446 HydrophobicContact CD1-CE1 3.6Å; F123-F446 HydrophobicContact CD1-CE2 4.17Å; F123-F446 HydrophobicContact CD1-CG 4.03Å; F123-F446 AromaticContact CD1-CZ 3.83Å; F123-F446 HydrophobicContact CD1-CZ 3.83Å; F123-F446 HydrophobicContact CE1-CD1 4.35Å; F123-F446 HydrophobicContact CE1-CD2 4.22Å; F123-F446 AromaticContact CE1-CE1 4Å; F123-F446 HydrophobicContact CE1-CE1 4Å; F123-F446 AromaticContact CE1-CE2 3.85Å; F123-F446 HydrophobicContact CE1-CE2 3.85Å; F123-F446 HydrophobicContact CE1-CG 4.45Å; F123-F446 AromaticContact CE1-CZ 3.71Å; F123-F446 HydrophobicContact CE1-CZ 3.71Å |
| 124 | Q | 86 | Confident | 89.7 | Confident | 120 Ų | 120 | 34.1 Ų | 34.1 | 56% | 0.561 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -3.4 | 169.3 | -69.5 | 175.2 | -2.4 | 0 | 0 | 113.1 | N120 L126 | N120-Q124 VanDerWaalsContact O-CB 3.28Å; N120-Q124 WeakPolarHBondContact O-CB 3.45Å; N120-Q124 VanDerWaalsContact O-CG 3.23Å; N120-Q124 WeakPolarHBondContact O-CG 3.35Å; N120-Q124 PolarHBondContact O-N 2.91Å; Q124-L126 HydrophobicContact CB-CD1 4.26Å; Q124-L126 HydrophobicContact CB-CG 4.04Å; Q124-L126 PolarHBondContact O-N 3.33Å |
| 125 | G | 83.6 | Confident | 89.6 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 10.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D121 F122 F123 H128 | D121-G125 PolarHBondContact O-N 2.8Å; F122-G125 PolarHBondContact O-N 2.87Å; F123-G125 PolarHBondContact O-N 3.2Å; G125-H128 PolarHBondContact O-CE1 2.85Å; G125-H128 PolarHBondContact O-ND1 2.87Å; G125-H128 VanDerWaalsContact O-ND1 3.15Å |
| 126 | L | 85.3 | Confident | 89.6 | Confident | 64 Ų | 64 | 37.3 Ų | 37.3 | 34% | 0.335 | 18% | 0.184 | S | C | . | . | trans | -70.2 | -40 | 178.2 | -56.8 | 176.9 | 0 | 0 | 0 | 110.7 | D121 Q124 H128 | D121-L126 HydrophobicContact CB-CB 4.4Å; D121-L126 WeakPolarHBondContact O-CB 3.39Å; D121-L126 PolarHBondContact O-N 3.25Å; Q124-L126 HydrophobicContact CB-CD1 4.26Å; Q124-L126 HydrophobicContact CB-CG 4.04Å; Q124-L126 PolarHBondContact O-N 3.33Å; L126-H128 PolarHBondContact O-N 2.86Å; L126-H128 VanDerWaalsContact O-N 3.09Å; L126-H128 PolarHBondContact O-ND1 3.49Å; L126-H128 VanDerWaalsContact O-ND1 3.14Å | ||
| 127 | L | 87.4 | Confident | 89.6 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -84.4 | 74.6 | 179.6 | -168.3 | 65 | 0 | 0 | 0 | 112.4 | I118 D121 S129 L137 A200 V203 | I118-L127 HydrophobicContact CG2-CD2 4.04Å; D121-L127 HydrophobicContact CB-CB 4.37Å; D121-L127 PolarHBondContact O-N 3.01Å; D121-L127 VanDerWaalsContact O-N 3.09Å; L127-S129 PolarHBondContact O-N 3.41Å; L127-L137 HydrophobicContact CD2-CD1 4.06Å; L127-A200 HydrophobicContact CD2-CB 4.32Å; L127-V203 HydrophobicContact CD1-CB 4.03Å; L127-V203 HydrophobicContact CD1-CG1 3.76Å; L127-V203 HydrophobicContact CG-CG1 4.13Å |
| 128 | H | 84.5 | Confident | 89.6 | Confident | 32 Ų | 32 | 36.3 Ų | 36.3 | 15% | 0.148 | 18% | 0.179 | C | C | . | . | trans | -61.7 | 131.7 | 177.1 | -67.2 | 69.3 | 0 | 0 | 0 | 111.6 | G125 L126 V203 L205 F236 | G125-H128 PolarHBondContact O-CE1 2.85Å; G125-H128 PolarHBondContact O-ND1 2.87Å; G125-H128 VanDerWaalsContact O-ND1 3.15Å; L126-H128 PolarHBondContact O-N 2.86Å; L126-H128 VanDerWaalsContact O-N 3.09Å; L126-H128 PolarHBondContact O-ND1 3.49Å; L126-H128 VanDerWaalsContact O-ND1 3.14Å; H128-V203 WeakPolarHBondContact O-CG1 3.47Å; H128-L205 HydrophobicContact CB-CD1 3.89Å; H128-F236 AromaticContact CD2-CG 3.98Å; H128-F236 AromaticContact CE1-CD1 3.86Å; H128-F236 AromaticContact CE1-CE1 3.43Å; H128-F236 VanDerWaalsContact CE1-CE1 3.43Å; H128-F236 WeakPolarHBondContact CE1-CE1 3.44Å; H128-F236 AromaticContact CE1-CZ 3.78Å; H128-F236 AromaticContact NE2-CD1 3.85Å; H128-F236 AromaticContact NE2-CE1 3.43Å; H128-F236 WeakPolarHBondContact NE2-CE1 3.4Å; H128-F236 AromaticContact NE2-CE2 3.67Å; H128-F236 AromaticContact NE2-CZ 3.33Å; H128-F236 VanDerWaalsContact NE2-CZ 3.33Å; H128-F236 WeakPolarHBondContact NE2-CZ 3.47Å | ||
| 129 | S | 82.4 | Confident | 89.5 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | trans | -145.7 | 178.2 | -178.3 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | L127 S134 L444 | L127-S129 PolarHBondContact O-N 3.41Å; S129-S134 WeakPolarHBondContact OG-CB 3.33Å; S129-L444 PolarHBondContact N-O 2.69Å; S129-L444 PolarHBondContact O-N 3.08Å | ||
| 130 | N | 85.7 | Confident | 89.7 | Confident | 85 Ų | 85 | 36 Ų | 36 | 46% | 0.455 | 18% | 0.179 | S | C | . | . | trans | -84.6 | 158.4 | 169.2 | 70 | 74.9 | 0 | 0 | 0 | 109.8 | N132 T133 S134 | N130-N132 VanDerWaalsContact C-N 3.28Å; N130-N132 PolarHBondContact O-N 3.46Å; N130-N132 VanDerWaalsContact O-N 3.16Å; N130-N132 PolarHBondContact OD1-N 3.11Å; N130-N132 VanDerWaalsContact OD1-N 3.09Å; N130-T133 PolarHBondContact ND2-OG1 3.07Å; N130-T133 PolarHBondContact O-N 3.05Å; N130-T133 VanDerWaalsContact O-N 3.1Å; N130-T133 PolarHBondContact OD1-N 3.47Å; N130-T133 PolarHBondContact OD1-OG1 2.85Å; N130-S134 PolarHBondContact O-N 3.33Å | ||
| 131 | R | 87.4 | Confident | 89.7 | Confident | 125 Ų | 125 | 34.5 Ų | 34.5 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -51 | -43.3 | -176.3 | -170.7 | 175 | 178 | 171.1 | 1.1 | 113.2 | S134 L135 | R131-S134 PolarHBondContact O-N 2.87Å; R131-S134 PolarHBondContact O-OG 2.87Å; R131-L135 HydrophobicContact CG-CD1 4.32Å; R131-L135 WeakPolarHBondContact O-CG 3.35Å; R131-L135 PolarHBondContact O-N 2.95Å |
| 132 | N | 91 | Very high | 89.8 | Confident | 112 Ų | 112 | 34.4 Ų | 34.4 | 60% | 0.599 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -70.9 | -39.6 | -178.4 | -65.7 | -9.3 | 0 | 0 | 0 | 112.5 | N130 L136 | N130-N132 VanDerWaalsContact C-N 3.28Å; N130-N132 PolarHBondContact O-N 3.46Å; N130-N132 VanDerWaalsContact O-N 3.16Å; N130-N132 PolarHBondContact OD1-N 3.11Å; N130-N132 VanDerWaalsContact OD1-N 3.09Å; N132-L136 PolarHBondContact O-N 3.49Å; N132-L136 VanDerWaalsContact O-N 3.1Å |
| 133 | T | 90.4 | Very high | 89.9 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 24% | 0.239 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68 | -39 | 172.8 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | N130 L135 L136 L137 V203 | N130-T133 PolarHBondContact ND2-OG1 3.07Å; N130-T133 PolarHBondContact O-N 3.05Å; N130-T133 VanDerWaalsContact O-N 3.1Å; N130-T133 PolarHBondContact OD1-N 3.47Å; N130-T133 PolarHBondContact OD1-OG1 2.85Å; T133-L135 VanDerWaalsContact C-N 3.33Å; T133-L135 PolarHBondContact O-N 3.18Å; T133-L136 PolarHBondContact O-N 3.36Å; T133-L137 HydrophobicContact CG2-CD1 4.17Å; T133-L137 HydrophobicContact CG2-CG 4.32Å; T133-L137 VanDerWaalsContact O-CG 3.32Å; T133-L137 WeakPolarHBondContact O-CG 3.23Å; T133-L137 PolarHBondContact O-N 2.76Å; T133-V203 HydrophobicContact CG2-CG2 3.88Å |
| 134 | S | 92.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 175.7 | 79.4 | 0 | 0 | 0 | 0 | 111.5 | F122 S129 N130 R131 L136 L137 A138 Y173 | F122-S134 WeakPolarHBondContact CZ-O 3.42Å; S129-S134 WeakPolarHBondContact OG-CB 3.33Å; N130-S134 PolarHBondContact O-N 3.33Å; R131-S134 PolarHBondContact O-N 2.87Å; R131-S134 PolarHBondContact O-OG 2.87Å; S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L136 PolarHBondContact O-N 3.35Å; S134-L137 PolarHBondContact O-N 2.95Å; S134-A138 VanDerWaalsContact O-CB 3.32Å; S134-A138 WeakPolarHBondContact O-CB 3.04Å; S134-A138 PolarHBondContact O-N 3.24Å; S134-Y173 PolarHBondContact O-OH 2.76Å; S134-Y173 VanDerWaalsContact O-OH 3.11Å; S134-Y173 WeakPolarHBondContact OG-CE2 3.48Å; S134-Y173 PolarHBondContact OG-OH 3.24Å; S134-Y173 VanDerWaalsContact OG-OH 3.1Å |
| 135 | L | 93 | Very high | 90.4 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 175.4 | -80.8 | 163.8 | 0 | 0 | 0 | 111.9 | R131 T133 A139 Y173 R176 L177 L180 | R131-L135 HydrophobicContact CG-CD1 4.32Å; R131-L135 WeakPolarHBondContact O-CG 3.35Å; R131-L135 PolarHBondContact O-N 2.95Å; T133-L135 VanDerWaalsContact C-N 3.33Å; T133-L135 PolarHBondContact O-N 3.18Å; L135-A139 WeakPolarHBondContact O-CB 3.45Å; L135-A139 PolarHBondContact O-N 3.29Å; L135-Y173 HydrophobicContact CD2-CD1 3.98Å; L135-Y173 HydrophobicContact CD2-CD2 3.67Å; L135-Y173 HydrophobicContact CD2-CE1 3.88Å; L135-Y173 HydrophobicContact CD2-CE2 3.56Å; L135-Y173 HydrophobicContact CD2-CG 3.9Å; L135-Y173 HydrophobicContact CG-CD2 4Å; L135-Y173 HydrophobicContact CG-CE2 3.56Å; L135-Y173 PolarHBondContact N-OH 3.03Å; L135-R176 HydrophobicContact CD1-CB 4.38Å; L135-R176 HydrophobicContact CD1-CG 3.66Å; L135-R176 HydrophobicContact CD2-CB 4.04Å; L135-R176 HydrophobicContact CD2-CG 4.03Å; L135-R176 HydrophobicContact CG-CG 4.47Å; L135-L177 HydrophobicContact CD2-CB 4.3Å; L135-L180 HydrophobicContact CB-CD1 3.77Å |
| 136 | L | 94 | Very high | 90.6 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 32% | 0.319 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.5 | -42.3 | 177.2 | -177.8 | 63.7 | 0 | 0 | 0 | 112.5 | N132 T133 S134 A139 F140 | N132-L136 PolarHBondContact O-N 3.49Å; N132-L136 VanDerWaalsContact O-N 3.1Å; T133-L136 PolarHBondContact O-N 3.36Å; S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L136 PolarHBondContact O-N 3.35Å; L136-A139 PolarHBondContact O-N 3.33Å; L136-F140 HydrophobicContact CD1-CD2 4.37Å; L136-F140 HydrophobicContact CD1-CE2 3.64Å; L136-F140 HydrophobicContact CD1-CZ 3.74Å; L136-F140 HydrophobicContact CD2-CE2 4.24Å; L136-F140 HydrophobicContact CG-CD2 4.24Å; L136-F140 HydrophobicContact CG-CE2 3.64Å; L136-F140 HydrophobicContact CG-CZ 4.25Å; L136-F140 VanDerWaalsContact O-CD2 3.25Å; L136-F140 WeakPolarHBondContact O-CD2 3.43Å; L136-F140 PolarHBondContact O-N 2.67Å; L136-F140 VanDerWaalsContact O-N 3.14Å |
| 137 | L | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 174.7 | -65.5 | 171.3 | 0 | 0 | 0 | 110.6 | F122 L127 T133 S134 A139 F140 I141 L196 A199 A200 V203 | F122-L137 HydrophobicContact CD2-CB 4.42Å; F122-L137 HydrophobicContact CD2-CD1 4.14Å; F122-L137 HydrophobicContact CE2-CB 4.22Å; F122-L137 HydrophobicContact CE2-CD1 4.23Å; L127-L137 HydrophobicContact CD2-CD1 4.06Å; T133-L137 HydrophobicContact CG2-CD1 4.17Å; T133-L137 HydrophobicContact CG2-CG 4.32Å; T133-L137 VanDerWaalsContact O-CG 3.32Å; T133-L137 WeakPolarHBondContact O-CG 3.23Å; T133-L137 PolarHBondContact O-N 2.76Å; S134-L137 PolarHBondContact O-N 2.95Å; L137-A139 VanDerWaalsContact C-N 3.29Å; L137-A139 PolarHBondContact O-N 2.81Å; L137-F140 PolarHBondContact O-N 3.32Å; L137-I141 WeakPolarHBondContact O-CG1 3.43Å; L137-I141 PolarHBondContact O-N 3.38Å; L137-L196 HydrophobicContact CB-CD1 4.04Å; L137-L196 HydrophobicContact CD2-CD1 3.67Å; L137-L196 HydrophobicContact CG-CD1 4.46Å; L137-A199 HydrophobicContact CD2-CB 3.78Å; L137-A200 HydrophobicContact CD2-CB 4.12Å; L137-V203 HydrophobicContact CD1-CG2 4.37Å |
| 138 | A | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -36.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F122 S134 I141 A142 F166 Y173 L177 | F122-A138 HydrophobicContact CE1-CB 4.11Å; F122-A138 HydrophobicContact CZ-CB 4.18Å; S134-A138 VanDerWaalsContact O-CB 3.32Å; S134-A138 WeakPolarHBondContact O-CB 3.04Å; S134-A138 PolarHBondContact O-N 3.24Å; A138-I141 PolarHBondContact O-N 2.92Å; A138-A142 WeakPolarHBondContact O-CB 3.32Å; A138-A142 PolarHBondContact O-N 3.3Å; A138-F166 HydrophobicContact CB-CE1 4.12Å; A138-Y173 HydrophobicContact CB-CE1 4.21Å; A138-L177 VanDerWaalsContact C-CD1 3.44Å; A138-L177 HydrophobicContact CB-CD1 3.77Å; A138-L177 HydrophobicContact CB-CD2 4.18Å |
| 139 | A | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.9 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L135 L136 L137 A142 Q143 L177 L180 L184 | L135-A139 WeakPolarHBondContact O-CB 3.45Å; L135-A139 PolarHBondContact O-N 3.29Å; L136-A139 PolarHBondContact O-N 3.33Å; L137-A139 VanDerWaalsContact C-N 3.29Å; L137-A139 PolarHBondContact O-N 2.81Å; A139-A142 PolarHBondContact O-N 3.16Å; A139-Q143 WeakPolarHBondContact O-CB 3.31Å; A139-Q143 PolarHBondContact O-N 3.33Å; A139-L177 VanDerWaalsContact CA-CD1 3.46Å; A139-L177 HydrophobicContact CB-CD1 3.89Å; A139-L177 VanDerWaalsContact N-CD1 3.31Å; A139-L180 HydrophobicContact CB-CB 3.82Å; A139-L184 HydrophobicContact CB-CD1 3.87Å; A139-L184 WeakPolarHBondContact O-CD1 3.46Å |
| 140 | F | 95.4 | Very high | 90.9 | Very high | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -37 | 172.6 | -65.4 | -49.7 | 0 | 0 | 0 | 112.4 | L136 L137 Q143 S144 L184 R195 L196 A199 | L136-F140 HydrophobicContact CD1-CD2 4.37Å; L136-F140 HydrophobicContact CD1-CE2 3.64Å; L136-F140 HydrophobicContact CD1-CZ 3.74Å; L136-F140 HydrophobicContact CD2-CE2 4.24Å; L136-F140 HydrophobicContact CG-CD2 4.24Å; L136-F140 HydrophobicContact CG-CE2 3.64Å; L136-F140 HydrophobicContact CG-CZ 4.25Å; L136-F140 VanDerWaalsContact O-CD2 3.25Å; L136-F140 WeakPolarHBondContact O-CD2 3.43Å; L136-F140 PolarHBondContact O-N 2.67Å; L136-F140 VanDerWaalsContact O-N 3.14Å; L137-F140 PolarHBondContact O-N 3.32Å; F140-Q143 PolarHBondContact O-N 3.48Å; F140-S144 PolarHBondContact O-N 2.89Å; F140-L184 HydrophobicContact CD1-CD1 3.93Å; F140-L184 HydrophobicContact CD1-CD2 4.35Å; F140-L184 HydrophobicContact CE1-CD1 4.25Å; F140-L184 HydrophobicContact CE1-CD2 3.85Å; F140-R195 HydrophobicContact CD1-CB 3.87Å; F140-R195 HydrophobicContact CD2-CB 4.28Å; F140-R195 HydrophobicContact CE1-CB 3.62Å; F140-R195 HydrophobicContact CE1-CG 4.27Å; F140-R195 HydrophobicContact CE2-CB 4.03Å; F140-R195 HydrophobicContact CG-CB 4.22Å; F140-R195 HydrophobicContact CZ-CB 3.71Å; F140-L196 HydrophobicContact CB-CB 3.95Å; F140-L196 HydrophobicContact CB-CD1 4.19Å; F140-A199 HydrophobicContact CE2-CB 4.2Å |
| 141 | I | 93.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 173 | -67.9 | 164 | 0 | 0 | 0 | 111.1 | R119 F122 F123 L137 A138 S144 Q145 L165 F166 L196 | R119-I141 HydrophobicContact CB-CD1 4.32Å; R119-I141 HydrophobicContact CB-CG1 4.48Å; R119-I141 HydrophobicContact CG-CD1 4.24Å; R119-I141 HydrophobicContact CG-CG1 4.38Å; R119-I141 HydrophobicContact CG-CG2 4Å; F122-I141 HydrophobicContact CD1-CD1 4Å; F122-I141 HydrophobicContact CG-CD1 4.43Å; F123-I141 HydrophobicContact CE2-CD1 4.11Å; F123-I141 HydrophobicContact CE2-CG2 4.04Å; F123-I141 HydrophobicContact CZ-CD1 4.43Å; F123-I141 HydrophobicContact CZ-CG2 4.22Å; L137-I141 WeakPolarHBondContact O-CG1 3.43Å; L137-I141 PolarHBondContact O-N 3.38Å; A138-I141 PolarHBondContact O-N 2.92Å; I141-S144 PolarHBondContact O-N 3.01Å; I141-Q145 HydrophobicContact CG2-CG 4.3Å; I141-Q145 WeakPolarHBondContact O-CB 3.41Å; I141-Q145 VanDerWaalsContact O-CG 3.26Å; I141-Q145 WeakPolarHBondContact O-CG 3.35Å; I141-Q145 PolarHBondContact O-N 3.15Å; I141-L165 HydrophobicContact CG2-CD1 4.25Å; I141-F166 HydrophobicContact CB-CZ 4.47Å; I141-F166 HydrophobicContact CG2-CZ 4.02Å; I141-L196 HydrophobicContact CD1-CD1 4.24Å; I141-L196 HydrophobicContact CD1-CD2 4.45Å; I141-L196 HydrophobicContact CG1-CD1 3.94Å; I141-L196 HydrophobicContact CG1-CD2 3.74Å |
| 142 | A | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A138 A139 S144 Q145 L146 L160 F166 | A138-A142 WeakPolarHBondContact O-CB 3.32Å; A138-A142 PolarHBondContact O-N 3.3Å; A139-A142 PolarHBondContact O-N 3.16Å; A142-S144 PolarHBondContact O-N 3.38Å; A142-Q145 PolarHBondContact O-N 3.33Å; A142-L146 HydrophobicContact CB-CD1 4.49Å; A142-L146 VanDerWaalsContact O-CB 3.25Å; A142-L146 WeakPolarHBondContact O-CB 3.45Å; A142-L146 WeakPolarHBondContact O-CG 3.41Å; A142-L146 PolarHBondContact O-N 3.45Å; A142-L160 HydrophobicContact CB-CD2 4.33Å; A142-F166 HydrophobicContact CB-CE2 4.1Å; A142-F166 HydrophobicContact CB-CZ 4.06Å |
| 143 | Q | 94.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 178 | -173.8 | 73.5 | 28 | 0 | 0 | 112.5 | A139 F140 G147 D148 H181 L184 I187 A192 | A139-Q143 WeakPolarHBondContact O-CB 3.31Å; A139-Q143 PolarHBondContact O-N 3.33Å; F140-Q143 PolarHBondContact O-N 3.48Å; Q143-G147 VanDerWaalsContact O-CA 3.24Å; Q143-G147 WeakPolarHBondContact O-CA 3.48Å; Q143-G147 PolarHBondContact O-N 3.4Å; Q143-D148 PolarHBondContact NE2-OD1 2.91Å; Q143-H181 WeakPolarHBondContact CA-NE2 3.49Å; Q143-H181 PolarHBondContact N-NE2 3.31Å; Q143-H181 PolarHBondContact OE1-CD2 2.82Å; Q143-H181 PolarHBondContact OE1-NE2 2.83Å; Q143-L184 HydrophobicContact CB-CD1 4.08Å; Q143-L184 HydrophobicContact CG-CB 4.28Å; Q143-I187 HydrophobicContact CG-CB 4.39Å; Q143-I187 HydrophobicContact CG-CG2 4.45Å; Q143-I187 PolarHBondContact NE2-O 3.49Å; Q143-A192 HydrophobicContact CB-CB 4.01Å; Q143-A192 HydrophobicContact CG-CB 3.77Å |
| 144 | S | 93.1 | Very high | 88.1 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75.7 | -30.7 | -179 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | F140 I141 A142 K189 D193 | F140-S144 PolarHBondContact O-N 2.89Å; I141-S144 PolarHBondContact O-N 3.01Å; A142-S144 PolarHBondContact O-N 3.38Å; S144-K189 WeakPolarHBondContact O-CD 3.25Å; S144-K189 WeakPolarHBondContact O-CE 3.41Å; S144-K189 WeakPolarHBondContact O-CG 3.43Å; S144-D193 WeakPolarHBondContact CB-OD1 3.43Å; S144-D193 PolarHBondContact OG-OD1 3.09Å |
| 145 | Q | 89.5 | Confident | 86.9 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -78.1 | -53.8 | 173.4 | -60.3 | -64.9 | -98.9 | 0 | 0 | 112.1 | I141 A142 L165 K189 | I141-Q145 HydrophobicContact CG2-CG 4.3Å; I141-Q145 WeakPolarHBondContact O-CB 3.41Å; I141-Q145 VanDerWaalsContact O-CG 3.26Å; I141-Q145 WeakPolarHBondContact O-CG 3.35Å; I141-Q145 PolarHBondContact O-N 3.15Å; A142-Q145 PolarHBondContact O-N 3.33Å; Q145-L165 HydrophobicContact CG-CD1 4.4Å; Q145-K189 PolarHBondContact O-NZ 3.16Å |
| 146 | L | 88.2 | Confident | 86.2 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.366 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -87.1 | -30.4 | -169.7 | -55.2 | 174.9 | 0 | 0 | 0 | 113.3 | A142 Y159 L160 | A142-L146 HydrophobicContact CB-CD1 4.49Å; A142-L146 VanDerWaalsContact O-CB 3.25Å; A142-L146 WeakPolarHBondContact O-CB 3.45Å; A142-L146 WeakPolarHBondContact O-CG 3.41Å; A142-L146 PolarHBondContact O-N 3.45Å; L146-Y159 HydrophobicContact CD1-CD2 3.84Å; L146-Y159 HydrophobicContact CD1-CE2 3.7Å; L146-L160 HydrophobicContact CD1-CD2 4.21Å |
| 147 | G | 89.4 | Confident | 85.6 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | trans | 88.2 | -165.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q143 H181 | Q143-G147 VanDerWaalsContact O-CA 3.24Å; Q143-G147 WeakPolarHBondContact O-CA 3.48Å; Q143-G147 PolarHBondContact O-N 3.4Å; G147-H181 PolarHBondContact O-NE2 3.07Å; G147-H181 VanDerWaalsContact O-NE2 3.17Å | ||
| 148 | D | 88.6 | Confident | 85 | Confident | 72 Ų | 72 | 51.3 Ų | 51.3 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -60 | 140 | -178 | -83.1 | -23.1 | 0 | 0 | 0 | 113.1 | Q143 Q150 I185 G186 | Q143-D148 PolarHBondContact NE2-OD1 2.91Å; D148-Q150 PolarHBondContact O-N 3.14Å; D148-I185 VanDerWaalsContact OD1-CA 3.31Å; D148-I185 WeakPolarHBondContact OD1-CA 3.16Å; D148-G186 VanDerWaalsContact CG-N 3.31Å; D148-G186 PolarHBondContact OD1-N 3.25Å; D148-G186 PolarHBondContact OD2-N 2.92Å |
| 149 | F | 85.8 | Confident | 84.6 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | trans | -57.4 | 124.1 | 172.7 | 177.2 | -81.2 | 0 | 0 | 0 | 111.5 | C154 Y159 M178 H181 Q182 I185 | F149-C154 HydrophobicContact CD1-CB 4.48Å; F149-C154 HydrophobicContact CD2-CB 3.54Å; F149-C154 HydrophobicContact CE1-CB 4.18Å; F149-C154 HydrophobicContact CE2-CB 3.18Å; F149-C154 WeakPolarHBondContact CE2-O 3.49Å; F149-C154 HydrophobicContact CG-CB 4.18Å; F149-C154 HydrophobicContact CZ-CB 3.52Å; F149-C154 WeakPolarHBondContact CZ-O 3.36Å; F149-Y159 HydrophobicContact CE2-CE1 4.17Å; F149-M178 HydrophobicContact CE2-CG 3.83Å; F149-M178 HydrophobicContact CE2-SD 4.5Å; F149-H181 AromaticContact CD2-ND1 4Å; F149-Q182 HydrophobicContact CD1-CG 3.75Å; F149-Q182 HydrophobicContact CD2-CG 3.58Å; F149-Q182 HydrophobicContact CE1-CG 3.7Å; F149-Q182 HydrophobicContact CE2-CG 3.51Å; F149-Q182 HydrophobicContact CG-CG 3.72Å; F149-Q182 HydrophobicContact CZ-CG 3.6Å; F149-I185 HydrophobicContact CB-CD1 4.19Å; F149-I185 HydrophobicContact CB-CG1 4.01Å; F149-I185 HydrophobicContact CD1-CD1 4.32Å | ||
| 150 | Q | 82.2 | Confident | 84.3 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | trans | -110.3 | 120.9 | 177.3 | -57.9 | -168.1 | 17.1 | 0 | 0 | 112.1 | D148 S152 E153 C154 | D148-Q150 PolarHBondContact O-N 3.14Å; Q150-S152 PolarHBondContact O-N 3.15Å; Q150-S152 PolarHBondContact OE1-OG 3.09Å; Q150-E153 PolarHBondContact O-N 3.34Å; Q150-E153 VanDerWaalsContact O-N 3.16Å; Q150-C154 WeakPolarHBondContact O-CA 3.48Å; Q150-C154 WeakPolarHBondContact O-CB 3.38Å; Q150-C154 PolarHBondContact O-N 3.47Å | ||
| 151 | E | 76.6 | Confident | 83.7 | Confident | 133 Ų | 133 | 55.8 Ų | 55.8 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.2 | 178.2 | -158.3 | 68.9 | -134.7 | 0 | 0 | 114.1 | R155 | E151-R155 WeakPolarHBondContact O-CG 3.47Å; E151-R155 PolarHBondContact O-NE 2.84Å |
| 152 | S | 72.1 | Confident | 83.2 | Confident | 77 Ų | 77 | 64.5 Ų | 64.5 | 54% | 0.538 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -53.6 | 172.4 | 36.9 | 0 | 0 | 0 | 0 | 112.1 | Q150 | Q150-S152 PolarHBondContact O-N 3.15Å; Q150-S152 PolarHBondContact OE1-OG 3.09Å |
| 153 | E | 74.3 | Confident | 82.7 | Confident | 149 Ų | 149 | 66.1 Ų | 66.1 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -30.9 | -171 | -56.2 | -168.8 | 165.6 | 0 | 0 | 112.8 | Q150 | Q150-E153 PolarHBondContact O-N 3.34Å; Q150-E153 VanDerWaalsContact O-N 3.16Å |
| 154 | C | 72.7 | Confident | 82.1 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 7% | 0.068 | 35% | 0.353 | C | S | . | . | trans | -99 | 17 | -167.4 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | F149 Q150 S156 Y159 | F149-C154 HydrophobicContact CD1-CB 4.48Å; F149-C154 HydrophobicContact CD2-CB 3.54Å; F149-C154 HydrophobicContact CE1-CB 4.18Å; F149-C154 HydrophobicContact CE2-CB 3.18Å; F149-C154 WeakPolarHBondContact CE2-O 3.49Å; F149-C154 HydrophobicContact CG-CB 4.18Å; F149-C154 HydrophobicContact CZ-CB 3.52Å; F149-C154 WeakPolarHBondContact CZ-O 3.36Å; Q150-C154 WeakPolarHBondContact O-CA 3.48Å; Q150-C154 WeakPolarHBondContact O-CB 3.38Å; Q150-C154 PolarHBondContact O-N 3.47Å; C154-S156 PolarHBondContact O-N 2.92Å; C154-Y159 VanDerWaalsContact CA-CD1 3.5Å; C154-Y159 HydrophobicContact CB-CD1 3.58Å; C154-Y159 HydrophobicContact CB-CE1 3.5Å; C154-Y159 VanDerWaalsContact CB-CE1 3.5Å; C154-Y159 HydrophobicContact CB-CE2 4.47Å; C154-Y159 HydrophobicContact CB-CG 4.14Å | ||
| 155 | R | 67.2 | Low | 81.5 | Confident | 198 Ų | 198 | 73 Ų | 73 | 75% | 0.747 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -53 | -20.9 | -177.8 | -66.7 | -174.6 | 176.6 | 176.8 | -0.9 | 115.9 | E151 | E151-R155 WeakPolarHBondContact O-CG 3.47Å; E151-R155 PolarHBondContact O-NE 2.84Å |
| 156 | S | 79.1 | Confident | 81.3 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -146.2 | 148.8 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 108.6 | C154 A158 Y159 | C154-S156 PolarHBondContact O-N 2.92Å; S156-A158 PolarHBondContact O-N 3.09Å; S156-Y159 VanDerWaalsContact O-CD1 3.26Å; S156-Y159 WeakPolarHBondContact O-CD1 3.49Å; S156-Y159 PolarHBondContact O-N 2.81Å |
| 157 | Y | 81.6 | Confident | 80.9 | Confident | 60 Ų | 60 | 76 Ų | 76 | 24% | 0.235 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -6.6 | 179.7 | 67.5 | -92 | 0 | 0 | 0 | 114.4 | Y159 L160 K161 D171 L174 M175 M178 | Y157-Y159 PolarHBondContact O-N 3.5Å; Y157-Y159 VanDerWaalsContact O-N 3.17Å; Y157-L160 WeakPolarHBondContact O-CB 3.46Å; Y157-L160 PolarHBondContact O-N 3.42Å; Y157-K161 HydrophobicContact CE2-CD 4.31Å; Y157-K161 PolarHBondContact O-N 3.49Å; Y157-K161 VanDerWaalsContact O-N 3.11Å; Y157-D171 HydrophobicContact CE2-CB 3.81Å; Y157-D171 VanDerWaalsContact CE2-CG 3.46Å; Y157-D171 WeakPolarHBondContact CE2-OD1 3.43Å; Y157-D171 PolarHBondContact OH-OD2 3.04Å; Y157-L174 HydrophobicContact CD2-CB 3.79Å; Y157-L174 HydrophobicContact CD2-CD1 4.02Å; Y157-L174 HydrophobicContact CG-CB 4.15Å; Y157-M175 HydrophobicContact CD1-CG 3.47Å; Y157-M175 VanDerWaalsContact CD1-CG 3.47Å; Y157-M175 HydrophobicContact CD1-SD 4.39Å; Y157-M175 HydrophobicContact CE1-CG 3.83Å; Y157-M175 HydrophobicContact CE1-SD 4.23Å; Y157-M175 HydrophobicContact CG-CG 4.11Å; Y157-M178 PolarHBondContact N-SD 3.1Å; Y157-M178 VanDerWaalsContact N-SD 3.43Å |
| 158 | A | 81.6 | Confident | 80.4 | Confident | 46 Ų | 46 | 79 Ų | 79 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -47.3 | -32.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S156 L160 K161 K162 | S156-A158 PolarHBondContact O-N 3.09Å; A158-L160 VanDerWaalsContact C-N 3.35Å; A158-L160 PolarHBondContact O-N 2.88Å; A158-K161 PolarHBondContact O-N 3.06Å; A158-K162 WeakPolarHBondContact O-CG 3.48Å; A158-K162 PolarHBondContact O-N 3.46Å |
| 159 | Y | 85.2 | Confident | 80.2 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.1 | -38 | 175.6 | 78.3 | -86.8 | 0 | 0 | 0 | 112.2 | L146 F149 C154 S156 Y157 K162 H163 M178 H181 | L146-Y159 HydrophobicContact CD1-CD2 3.84Å; L146-Y159 HydrophobicContact CD1-CE2 3.7Å; F149-Y159 HydrophobicContact CE2-CE1 4.17Å; C154-Y159 VanDerWaalsContact CA-CD1 3.5Å; C154-Y159 HydrophobicContact CB-CD1 3.58Å; C154-Y159 HydrophobicContact CB-CE1 3.5Å; C154-Y159 VanDerWaalsContact CB-CE1 3.5Å; C154-Y159 HydrophobicContact CB-CE2 4.47Å; C154-Y159 HydrophobicContact CB-CG 4.14Å; S156-Y159 VanDerWaalsContact O-CD1 3.26Å; S156-Y159 WeakPolarHBondContact O-CD1 3.49Å; S156-Y159 PolarHBondContact O-N 2.81Å; Y157-Y159 PolarHBondContact O-N 3.5Å; Y157-Y159 VanDerWaalsContact O-N 3.17Å; Y159-K162 PolarHBondContact O-N 2.7Å; Y159-H163 PolarHBondContact O-N 2.79Å; Y159-M178 HydrophobicContact CE1-CB 4.46Å; Y159-M178 HydrophobicContact CE1-CG 3.92Å; Y159-M178 HydrophobicContact CE1-SD 4.16Å; Y159-H181 AromaticContact CE2-ND1 3.81Å; Y159-H181 AromaticContact CZ-ND1 3.76Å; Y159-H181 PolarHBondContact OH-ND1 2.88Å |
| 160 | L | 86.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 172.5 | -60.5 | 166.3 | 0 | 0 | 0 | 110.2 | A142 L146 Y157 A158 K162 H163 F166 L174 L177 M178 | A142-L160 HydrophobicContact CB-CD2 4.33Å; L146-L160 HydrophobicContact CD1-CD2 4.21Å; Y157-L160 WeakPolarHBondContact O-CB 3.46Å; Y157-L160 PolarHBondContact O-N 3.42Å; A158-L160 VanDerWaalsContact C-N 3.35Å; A158-L160 PolarHBondContact O-N 2.88Å; L160-K162 VanDerWaalsContact C-N 3.26Å; L160-K162 PolarHBondContact O-N 2.7Å; L160-H163 WeakPolarHBondContact O-CA 3.25Å; L160-H163 WeakPolarHBondContact O-CB 3.48Å; L160-H163 PolarHBondContact O-N 2.85Å; L160-F166 HydrophobicContact CB-CB 4.36Å; L160-F166 HydrophobicContact CD2-CD2 4.05Å; L160-F166 HydrophobicContact CD2-CE2 4.23Å; L160-L174 HydrophobicContact CB-CD2 3.98Å; L160-L174 HydrophobicContact CD1-CD2 4.38Å; L160-L174 WeakPolarHBondContact CD1-O 3.33Å; L160-L177 HydrophobicContact CD1-CB 4.14Å; L160-L177 HydrophobicContact CD1-CD2 3.97Å; L160-L177 HydrophobicContact CD1-CG 3.82Å; L160-L177 HydrophobicContact CD2-CD2 4.23Å; L160-L177 HydrophobicContact CD2-CG 4.41Å; L160-M178 HydrophobicContact CD1-CB 4.12Å |
| 161 | K | 84 | Confident | 80.3 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.8 | -24.3 | -179.6 | -154.2 | 163.8 | -174.9 | 168.7 | 0 | 113.4 | Y157 A158 D171 L174 | Y157-K161 HydrophobicContact CE2-CD 4.31Å; Y157-K161 PolarHBondContact O-N 3.49Å; Y157-K161 VanDerWaalsContact O-N 3.11Å; A158-K161 PolarHBondContact O-N 3.06Å; K161-D171 WeakPolarHBondContact CE-OD1 3.49Å; K161-D171 IonicContact NZ-OD1 3.56Å; K161-D171 PolarHBondContact NZ-OD1 3.17Å; K161-D171 IonicContact NZ-OD2 2.64Å; K161-D171 PolarHBondContact NZ-OD2 3.09Å; K161-L174 HydrophobicContact CB-CD1 4.08Å; K161-L174 HydrophobicContact CD-CD1 4.16Å; K161-L174 HydrophobicContact CG-CD1 4.14Å |
| 162 | K | 82.1 | Confident | 80.8 | Confident | 185 Ų | 185 | 71.3 Ų | 71.3 | 80% | 0.804 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -71.5 | -29.8 | 166.9 | -75.1 | 178.1 | 178.6 | -175.3 | 0 | 112.8 | A158 Y159 L160 | A158-K162 WeakPolarHBondContact O-CG 3.48Å; A158-K162 PolarHBondContact O-N 3.46Å; Y159-K162 PolarHBondContact O-N 2.7Å; L160-K162 VanDerWaalsContact C-N 3.26Å; L160-K162 PolarHBondContact O-N 2.7Å |
| 163 | H | 81.9 | Confident | 81.7 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -79.8 | 125.3 | -176.9 | -166.6 | -98.9 | 0 | 0 | 0 | 111.7 | Y159 L160 L165 F166 R167 | Y159-H163 PolarHBondContact O-N 2.79Å; L160-H163 WeakPolarHBondContact O-CA 3.25Å; L160-H163 WeakPolarHBondContact O-CB 3.48Å; L160-H163 PolarHBondContact O-N 2.85Å; H163-L165 VanDerWaalsContact C-N 3.27Å; H163-L165 PolarHBondContact O-N 3.49Å; H163-L165 VanDerWaalsContact O-N 3.08Å; H163-F166 HydrophobicContact CB-CD2 4.27Å; H163-F166 AromaticContact ND1-CD2 3.89Å; H163-F166 PolarHBondContact O-N 2.81Å; H163-R167 PolarHBondContact O-N 2.81Å |
| 164 | H | 81.8 | Confident | 82.5 | Confident | 127 Ų | 127 | 60.6 Ų | 60.6 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -41.4 | -172 | 64.1 | -77.4 | 0 | 0 | 0 | 114.6 | F166 | H164-F166 VanDerWaalsContact C-N 3.32Å; H164-F166 PolarHBondContact O-N 3.37Å |
| 165 | L | 81.3 | Confident | 83.2 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.7 | -179.9 | -59.6 | 178.4 | 0 | 0 | 0 | 114.6 | R119 F123 I141 Q145 H163 | R119-L165 HydrophobicContact CG-CD1 4.34Å; F123-L165 WeakPolarHBondContact CD1-O 3.27Å; F123-L165 HydrophobicContact CD2-CB 4.46Å; F123-L165 HydrophobicContact CD2-CD2 4.11Å; F123-L165 HydrophobicContact CE1-CB 4.09Å; F123-L165 WeakPolarHBondContact CE1-O 3.36Å; F123-L165 HydrophobicContact CE2-CB 3.93Å; F123-L165 HydrophobicContact CE2-CD1 3.83Å; F123-L165 HydrophobicContact CE2-CD2 4.18Å; F123-L165 HydrophobicContact CE2-CG 4.2Å; F123-L165 HydrophobicContact CZ-CB 3.73Å; F123-L165 HydrophobicContact CZ-CD1 4.29Å; F123-L165 HydrophobicContact CZ-CG 4.48Å; I141-L165 HydrophobicContact CG2-CD1 4.25Å; Q145-L165 HydrophobicContact CG-CD1 4.4Å; H163-L165 VanDerWaalsContact C-N 3.27Å; H163-L165 PolarHBondContact O-N 3.49Å; H163-L165 VanDerWaalsContact O-N 3.08Å |
| 166 | F | 84.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -4.8 | -171.5 | -58.8 | -63.6 | 0 | 0 | 0 | 113.5 | F123 A138 I141 A142 L160 H163 H164 T168 A169 L174 L177 | F123-F166 HydrophobicContact CE1-CD1 4.03Å; F123-F166 HydrophobicContact CE1-CE1 4.01Å; F123-F166 HydrophobicContact CZ-CD1 4.07Å; F123-F166 AromaticContact CZ-CE1 3.64Å; F123-F166 HydrophobicContact CZ-CE1 3.64Å; F123-F166 HydrophobicContact CZ-CZ 4.22Å; A138-F166 HydrophobicContact CB-CE1 4.12Å; I141-F166 HydrophobicContact CB-CZ 4.47Å; I141-F166 HydrophobicContact CG2-CZ 4.02Å; A142-F166 HydrophobicContact CB-CE2 4.1Å; A142-F166 HydrophobicContact CB-CZ 4.06Å; L160-F166 HydrophobicContact CB-CB 4.36Å; L160-F166 HydrophobicContact CD2-CD2 4.05Å; L160-F166 HydrophobicContact CD2-CE2 4.23Å; H163-F166 HydrophobicContact CB-CD2 4.27Å; H163-F166 AromaticContact ND1-CD2 3.89Å; H163-F166 PolarHBondContact O-N 2.81Å; H164-F166 VanDerWaalsContact C-N 3.32Å; H164-F166 PolarHBondContact O-N 3.37Å; F166-T168 PolarHBondContact O-N 3.39Å; F166-T168 VanDerWaalsContact O-N 3.08Å; F166-A169 PolarHBondContact O-N 3.27Å; F166-L174 HydrophobicContact CB-CD2 4.03Å; F166-L177 HydrophobicContact CD1-CD2 3.8Å; F166-L177 HydrophobicContact CE1-CD2 3.79Å; F166-L177 HydrophobicContact CG-CD2 4.3Å; F166-L177 HydrophobicContact CZ-CD2 4.28Å |
| 167 | R | 79.8 | Confident | 84.9 | Confident | 183 Ų | 183 | 55.7 Ų | 55.7 | 69% | 0.691 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.2 | -174 | -166.3 | 175.9 | -164.3 | 174.4 | 5.4 | 114.7 | H163 | H163-R167 PolarHBondContact O-N 2.81Š|
| 168 | T | 79.3 | Confident | 85.3 | Confident | 75 Ų | 75 | 54.2 Ų | 54.2 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -8.4 | -178.6 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | F166 | F166-T168 PolarHBondContact O-N 3.39Å; F166-T168 VanDerWaalsContact O-N 3.08Å |
| 169 | A | 83.8 | Confident | 85.8 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -73.2 | 145 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | F166 Y173 L174 F446 | F166-A169 PolarHBondContact O-N 3.27Å; A169-Y173 HydrophobicContact CB-CD1 4.11Å; A169-L174 HydrophobicContact CB-CD2 3.79Å; A169-L174 HydrophobicContact CB-CG 4.09Å; A169-F446 HydrophobicContact CB-CE2 4.13Å; A169-F446 HydrophobicContact CB-CZ 3.86Å |
| 170 | P | 85.4 | Confident | 86 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 22% | 0.221 | 27% | 0.265 | C | S | . | . | trans | -70.3 | 147.9 | -180 | 29.4 | -34.9 | 0 | 0 | 0 | 111 | S172 Y173 L174 L449 | P170-S172 PolarHBondContact O-N 3Å; P170-S172 VanDerWaalsContact O-N 3.11Å; P170-Y173 WeakPolarHBondContact O-CA 3.49Å; P170-Y173 VanDerWaalsContact O-CB 3.26Å; P170-Y173 WeakPolarHBondContact O-CB 3.49Å; P170-Y173 PolarHBondContact O-N 3.48Å; P170-L174 PolarHBondContact O-N 3.37Å; P170-L174 VanDerWaalsContact O-N 3.09Å; P170-L449 VanDerWaalsContact CD-O 3.28Å; P170-L449 WeakPolarHBondContact CD-O 3.5Å; P170-L449 HydrophobicContact CG-CB 4.47Å; P170-L449 WeakPolarHBondContact CG-O 3.36Å | ||
| 171 | D | 86.4 | Confident | 86.4 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62 | -28.5 | -170.3 | -67.1 | -22.3 | 0 | 0 | 0 | 113.6 | Y157 K161 Y173 L174 M175 | Y157-D171 HydrophobicContact CE2-CB 3.81Å; Y157-D171 VanDerWaalsContact CE2-CG 3.46Å; Y157-D171 WeakPolarHBondContact CE2-OD1 3.43Å; Y157-D171 PolarHBondContact OH-OD2 3.04Å; K161-D171 WeakPolarHBondContact CE-OD1 3.49Å; K161-D171 IonicContact NZ-OD1 3.56Å; K161-D171 PolarHBondContact NZ-OD1 3.17Å; K161-D171 IonicContact NZ-OD2 2.64Å; K161-D171 PolarHBondContact NZ-OD2 3.09Å; D171-Y173 VanDerWaalsContact C-N 3.28Å; D171-Y173 PolarHBondContact O-N 3.12Å; D171-L174 PolarHBondContact O-N 2.94Å; D171-M175 WeakPolarHBondContact O-CG 3.37Å; D171-M175 PolarHBondContact O-N 2.99Å |
| 172 | S | 86.8 | Confident | 86.6 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.6 | -24.3 | 172.2 | 67.8 | 0 | 0 | 0 | 0 | 114.1 | P170 | P170-S172 PolarHBondContact O-N 3Å; P170-S172 VanDerWaalsContact O-N 3.11Å |
| 173 | Y | 89.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.9 | -41.7 | 170 | -170.4 | -86.1 | 0 | 0 | 0 | 110.7 | S134 L135 A138 A169 P170 D171 R176 L177 F446 L449 | S134-Y173 PolarHBondContact O-OH 2.76Å; S134-Y173 VanDerWaalsContact O-OH 3.11Å; S134-Y173 WeakPolarHBondContact OG-CE2 3.48Å; S134-Y173 PolarHBondContact OG-OH 3.24Å; S134-Y173 VanDerWaalsContact OG-OH 3.1Å; L135-Y173 HydrophobicContact CD2-CD1 3.98Å; L135-Y173 HydrophobicContact CD2-CD2 3.67Å; L135-Y173 HydrophobicContact CD2-CE1 3.88Å; L135-Y173 HydrophobicContact CD2-CE2 3.56Å; L135-Y173 HydrophobicContact CD2-CG 3.9Å; L135-Y173 HydrophobicContact CG-CD2 4Å; L135-Y173 HydrophobicContact CG-CE2 3.56Å; L135-Y173 PolarHBondContact N-OH 3.03Å; A138-Y173 HydrophobicContact CB-CE1 4.21Å; A169-Y173 HydrophobicContact CB-CD1 4.11Å; P170-Y173 WeakPolarHBondContact O-CA 3.49Å; P170-Y173 VanDerWaalsContact O-CB 3.26Å; P170-Y173 WeakPolarHBondContact O-CB 3.49Å; P170-Y173 PolarHBondContact O-N 3.48Å; D171-Y173 VanDerWaalsContact C-N 3.28Å; D171-Y173 PolarHBondContact O-N 3.12Å; Y173-R176 PolarHBondContact O-N 2.95Å; Y173-L177 HydrophobicContact CE1-CD2 4.41Å; Y173-L177 VanDerWaalsContact O-CB 3.28Å; Y173-L177 WeakPolarHBondContact O-CB 3.44Å; Y173-L177 PolarHBondContact O-N 3.28Å; Y173-F446 HydrophobicContact CE1-CE2 4.26Å; Y173-L449 HydrophobicContact CD2-CD1 3.64Å; Y173-L449 HydrophobicContact CD2-CD2 4.15Å; Y173-L449 HydrophobicContact CE2-CD1 3.31Å; Y173-L449 HydrophobicContact CE2-CD2 4.45Å; Y173-L449 HydrophobicContact CG-CD1 4.39Å |
| 174 | L | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 179.2 | -65.8 | -178.8 | 0 | 0 | 0 | 113 | Y157 L160 K161 F166 A169 P170 D171 L177 M178 | Y157-L174 HydrophobicContact CD2-CB 3.79Å; Y157-L174 HydrophobicContact CD2-CD1 4.02Å; Y157-L174 HydrophobicContact CG-CB 4.15Å; L160-L174 HydrophobicContact CB-CD2 3.98Å; L160-L174 HydrophobicContact CD1-CD2 4.38Å; L160-L174 WeakPolarHBondContact CD1-O 3.33Å; K161-L174 HydrophobicContact CB-CD1 4.08Å; K161-L174 HydrophobicContact CD-CD1 4.16Å; K161-L174 HydrophobicContact CG-CD1 4.14Å; F166-L174 HydrophobicContact CB-CD2 4.03Å; A169-L174 HydrophobicContact CB-CD2 3.79Å; A169-L174 HydrophobicContact CB-CG 4.09Å; P170-L174 PolarHBondContact O-N 3.37Å; P170-L174 VanDerWaalsContact O-N 3.09Å; D171-L174 PolarHBondContact O-N 2.94Å; L174-L177 HydrophobicContact CD2-CD2 4.36Å; L174-L177 PolarHBondContact O-N 3.41Å; L174-M178 WeakPolarHBondContact O-CB 3.33Å; L174-M178 PolarHBondContact O-N 2.86Å |
| 175 | M | 88.7 | Confident | 87.8 | Confident | 86 Ų | 86 | 45.2 Ų | 45.2 | 42% | 0.424 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 172.4 | -72.4 | -174.6 | -67.2 | 0 | 0 | 111.5 | Y157 D171 L177 M178 E179 | Y157-M175 HydrophobicContact CD1-CG 3.47Å; Y157-M175 VanDerWaalsContact CD1-CG 3.47Å; Y157-M175 HydrophobicContact CD1-SD 4.39Å; Y157-M175 HydrophobicContact CE1-CG 3.83Å; Y157-M175 HydrophobicContact CE1-SD 4.23Å; Y157-M175 HydrophobicContact CG-CG 4.11Å; D171-M175 WeakPolarHBondContact O-CG 3.37Å; D171-M175 PolarHBondContact O-N 2.99Å; M175-L177 PolarHBondContact O-N 3.06Å; M175-M178 WeakPolarHBondContact O-CB 3.47Å; M175-M178 PolarHBondContact O-N 3.15Å; M175-E179 WeakPolarHBondContact O-CG 3.45Å; M175-E179 PolarHBondContact O-N 3.25Å |
| 176 | R | 90.1 | Very high | 88.2 | Confident | 78 Ų | 78 | 47 Ų | 47 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.8 | -30.7 | -179.8 | -172.5 | 54 | 167.8 | -173.1 | -4.2 | 113.3 | L135 Y173 E179 L180 | L135-R176 HydrophobicContact CD1-CB 4.38Å; L135-R176 HydrophobicContact CD1-CG 3.66Å; L135-R176 HydrophobicContact CD2-CB 4.04Å; L135-R176 HydrophobicContact CD2-CG 4.03Å; L135-R176 HydrophobicContact CG-CG 4.47Å; Y173-R176 PolarHBondContact O-N 2.95Å; R176-E179 WeakPolarHBondContact CD-OE2 3.23Å; R176-E179 IonicContact CZ-OE2 3.97Å; R176-E179 IonicContact NE-OE2 3.39Å; R176-E179 IonicContact NH1-OE2 2.69Å; R176-E179 PolarHBondContact NH1-OE2 3.08Å; R176-L180 WeakPolarHBondContact O-CG 3.16Å; R176-L180 PolarHBondContact O-N 3.47Å |
| 177 | L | 91.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 171.3 | 174.6 | 55.4 | 0 | 0 | 0 | 111 | L135 A138 A139 L160 F166 Y173 L174 M175 L180 H181 | L135-L177 HydrophobicContact CD2-CB 4.3Å; A138-L177 VanDerWaalsContact C-CD1 3.44Å; A138-L177 HydrophobicContact CB-CD1 3.77Å; A138-L177 HydrophobicContact CB-CD2 4.18Å; A139-L177 VanDerWaalsContact CA-CD1 3.46Å; A139-L177 HydrophobicContact CB-CD1 3.89Å; A139-L177 VanDerWaalsContact N-CD1 3.31Å; L160-L177 HydrophobicContact CD1-CB 4.14Å; L160-L177 HydrophobicContact CD1-CD2 3.97Å; L160-L177 HydrophobicContact CD1-CG 3.82Å; L160-L177 HydrophobicContact CD2-CD2 4.23Å; L160-L177 HydrophobicContact CD2-CG 4.41Å; F166-L177 HydrophobicContact CD1-CD2 3.8Å; F166-L177 HydrophobicContact CE1-CD2 3.79Å; F166-L177 HydrophobicContact CG-CD2 4.3Å; F166-L177 HydrophobicContact CZ-CD2 4.28Å; Y173-L177 HydrophobicContact CE1-CD2 4.41Å; Y173-L177 VanDerWaalsContact O-CB 3.28Å; Y173-L177 WeakPolarHBondContact O-CB 3.44Å; Y173-L177 PolarHBondContact O-N 3.28Å; L174-L177 HydrophobicContact CD2-CD2 4.36Å; L174-L177 PolarHBondContact O-N 3.41Å; M175-L177 PolarHBondContact O-N 3.06Å; L177-L180 PolarHBondContact O-N 3.31Å; L177-H181 WeakPolarHBondContact O-CB 3.41Å; L177-H181 PolarHBondContact O-N 2.85Å |
| 178 | M | 90.1 | Very high | 89.1 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 174.6 | 179.4 | -178.5 | 79.9 | 0 | 0 | 112.3 | F149 Y157 Y159 L160 L174 M175 L180 H181 Q182 | F149-M178 HydrophobicContact CE2-CG 3.83Å; F149-M178 HydrophobicContact CE2-SD 4.5Å; Y157-M178 PolarHBondContact N-SD 3.1Å; Y157-M178 VanDerWaalsContact N-SD 3.43Å; Y159-M178 HydrophobicContact CE1-CB 4.46Å; Y159-M178 HydrophobicContact CE1-CG 3.92Å; Y159-M178 HydrophobicContact CE1-SD 4.16Å; L160-M178 HydrophobicContact CD1-CB 4.12Å; L174-M178 WeakPolarHBondContact O-CB 3.33Å; L174-M178 PolarHBondContact O-N 2.86Å; M175-M178 WeakPolarHBondContact O-CB 3.47Å; M175-M178 PolarHBondContact O-N 3.15Å; M178-L180 VanDerWaalsContact C-N 3.28Å; M178-L180 PolarHBondContact O-N 3.24Å; M178-H181 WeakPolarHBondContact O-CB 3.45Å; M178-H181 PolarHBondContact O-N 3.4Å; M178-Q182 WeakPolarHBondContact O-CG 3.19Å; M178-Q182 PolarHBondContact O-N 3.44Å |
| 179 | E | 91 | Very high | 89.7 | Confident | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.5 | -39 | 175.4 | -70.4 | 172.3 | 179.9 | 0 | 0 | 112.5 | M175 R176 | M175-E179 WeakPolarHBondContact O-CG 3.45Å; M175-E179 PolarHBondContact O-N 3.25Å; R176-E179 WeakPolarHBondContact CD-OE2 3.23Å; R176-E179 IonicContact CZ-OE2 3.97Å; R176-E179 IonicContact NE-OE2 3.39Å; R176-E179 IonicContact NH1-OE2 2.69Å; R176-E179 PolarHBondContact NH1-OE2 3.08Å |
| 180 | L | 91.1 | Very high | 90 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.8 | -41.6 | 175.8 | -72.3 | 172.3 | 0 | 0 | 0 | 111.6 | L135 A139 R176 L177 M178 Q182 T183 | L135-L180 HydrophobicContact CB-CD1 3.77Å; A139-L180 HydrophobicContact CB-CB 3.82Å; R176-L180 WeakPolarHBondContact O-CG 3.16Å; R176-L180 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 3.31Å; M178-L180 VanDerWaalsContact C-N 3.28Å; M178-L180 PolarHBondContact O-N 3.24Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 2.92Å; L180-T183 WeakPolarHBondContact O-CA 3.45Å; L180-T183 WeakPolarHBondContact O-CB 3.46Å; L180-T183 PolarHBondContact O-N 3.42Å; L180-T183 PolarHBondContact O-OG1 2.84Å |
| 181 | H | 93 | Very high | 90.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -40 | 177.2 | -164.9 | -144.8 | 0 | 0 | 0 | 111.9 | Q143 G147 F149 Y159 L177 M178 T183 L184 | Q143-H181 WeakPolarHBondContact CA-NE2 3.49Å; Q143-H181 PolarHBondContact N-NE2 3.31Å; Q143-H181 PolarHBondContact OE1-CD2 2.82Å; Q143-H181 PolarHBondContact OE1-NE2 2.83Å; G147-H181 PolarHBondContact O-NE2 3.07Å; G147-H181 VanDerWaalsContact O-NE2 3.17Å; F149-H181 AromaticContact CD2-ND1 4Å; Y159-H181 AromaticContact CE2-ND1 3.81Å; Y159-H181 AromaticContact CZ-ND1 3.76Å; Y159-H181 PolarHBondContact OH-ND1 2.88Å; L177-H181 WeakPolarHBondContact O-CB 3.41Å; L177-H181 PolarHBondContact O-N 2.85Å; M178-H181 WeakPolarHBondContact O-CB 3.45Å; M178-H181 PolarHBondContact O-N 3.4Å; H181-T183 PolarHBondContact O-N 2.96Å; H181-T183 VanDerWaalsContact O-N 3.14Å; H181-L184 PolarHBondContact O-N 2.83Å |
| 182 | Q | 90.1 | Very high | 90.6 | Very high | 74 Ų | 74 | 42.3 Ų | 42.3 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25 | 171.5 | -71.1 | 170.1 | -10.1 | 0 | 0 | 114 | F149 M178 L180 I185 | F149-Q182 HydrophobicContact CD1-CG 3.75Å; F149-Q182 HydrophobicContact CD2-CG 3.58Å; F149-Q182 HydrophobicContact CE1-CG 3.7Å; F149-Q182 HydrophobicContact CE2-CG 3.51Å; F149-Q182 HydrophobicContact CG-CG 3.72Å; F149-Q182 HydrophobicContact CZ-CG 3.6Å; M178-Q182 WeakPolarHBondContact O-CG 3.19Å; M178-Q182 PolarHBondContact O-N 3.44Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 2.92Å; Q182-I185 WeakPolarHBondContact O-CD1 3.47Å |
| 183 | T | 90.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.9 | 176.4 | 69 | 0 | 0 | 0 | 0 | 114.4 | L180 H181 A421 | L180-T183 WeakPolarHBondContact O-CA 3.45Å; L180-T183 WeakPolarHBondContact O-CB 3.46Å; L180-T183 PolarHBondContact O-N 3.42Å; L180-T183 PolarHBondContact O-OG1 2.84Å; H181-T183 PolarHBondContact O-N 2.96Å; H181-T183 VanDerWaalsContact O-N 3.14Å; T183-A421 HydrophobicContact CG2-CB 4.27Å |
| 184 | L | 90.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | trans | -97.7 | 0.7 | -177.3 | -60.4 | -177.7 | 0 | 0 | 0 | 114 | A139 F140 Q143 H181 G186 I187 | A139-L184 HydrophobicContact CB-CD1 3.87Å; A139-L184 WeakPolarHBondContact O-CD1 3.46Å; F140-L184 HydrophobicContact CD1-CD1 3.93Å; F140-L184 HydrophobicContact CD1-CD2 4.35Å; F140-L184 HydrophobicContact CE1-CD1 4.25Å; F140-L184 HydrophobicContact CE1-CD2 3.85Å; Q143-L184 HydrophobicContact CB-CD1 4.08Å; Q143-L184 HydrophobicContact CG-CB 4.28Å; H181-L184 PolarHBondContact O-N 2.83Å; L184-G186 PolarHBondContact O-N 2.94Å; L184-I187 HydrophobicContact CB-CD1 4.12Å; L184-I187 HydrophobicContact CD2-CD1 3.82Å; L184-I187 VanDerWaalsContact O-CB 3.25Å; L184-I187 WeakPolarHBondContact O-CB 3.25Å; L184-I187 VanDerWaalsContact O-CG1 3.23Å; L184-I187 WeakPolarHBondContact O-CG1 3.47Å; L184-I187 PolarHBondContact O-N 3.2Å; L184-I187 VanDerWaalsContact O-N 3.15Å | ||
| 185 | I | 89.8 | Confident | 91.1 | Very high | 97 Ų | 97 | 48 Ų | 48 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 129.1 | -178.8 | -60.5 | 171 | 0 | 0 | 0 | 111.8 | D148 F149 Q182 | D148-I185 VanDerWaalsContact OD1-CA 3.31Å; D148-I185 WeakPolarHBondContact OD1-CA 3.16Å; F149-I185 HydrophobicContact CB-CD1 4.19Å; F149-I185 HydrophobicContact CB-CG1 4.01Å; F149-I185 HydrophobicContact CD1-CD1 4.32Å; Q182-I185 WeakPolarHBondContact O-CD1 3.47Å |
| 186 | G | 89.4 | Confident | 91.5 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 67% | 0.67 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 16.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D148 L184 | D148-G186 VanDerWaalsContact CG-N 3.31Å; D148-G186 PolarHBondContact OD1-N 3.25Å; D148-G186 PolarHBondContact OD2-N 2.92Å; L184-G186 PolarHBondContact O-N 2.94Å |
| 187 | I | 92 | Very high | 91.6 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | trans | -102.6 | 115.2 | 171.7 | -64.8 | 175.3 | 0 | 0 | 0 | 108.6 | Q143 L184 E191 A192 | Q143-I187 HydrophobicContact CG-CB 4.39Å; Q143-I187 HydrophobicContact CG-CG2 4.45Å; Q143-I187 PolarHBondContact NE2-O 3.49Å; L184-I187 HydrophobicContact CB-CD1 4.12Å; L184-I187 HydrophobicContact CD2-CD1 3.82Å; L184-I187 VanDerWaalsContact O-CB 3.25Å; L184-I187 WeakPolarHBondContact O-CB 3.25Å; L184-I187 VanDerWaalsContact O-CG1 3.23Å; L184-I187 WeakPolarHBondContact O-CG1 3.47Å; L184-I187 PolarHBondContact O-N 3.2Å; L184-I187 VanDerWaalsContact O-N 3.15Å; I187-E191 HydrophobicContact CG2-CB 3.97Å; I187-E191 HydrophobicContact CG2-CG 3.79Å; I187-A192 HydrophobicContact CG2-CB 3.98Å | ||
| 188 | S | 90.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 42 Ų | 42 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | trans | -61.4 | 155.7 | 176.5 | 67 | 0 | 0 | 0 | 0 | 111.4 | S190 E191 A192 | S188-S190 PolarHBondContact O-N 3.04Å; S188-S190 PolarHBondContact OG-OG 3.03Å; S188-E191 PolarHBondContact O-N 3.03Å; S188-E191 VanDerWaalsContact O-N 3.08Å; S188-E191 WeakPolarHBondContact OG-CB 3.47Å; S188-E191 PolarHBondContact OG-N 2.84Å; S188-A192 PolarHBondContact O-N 2.93Å | ||
| 189 | K | 92.2 | Very high | 91.8 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.2 | -40.3 | -180 | -63.3 | -175.6 | 162.1 | -164.2 | 0 | 112.1 | S144 Q145 A192 D193 P406 | S144-K189 WeakPolarHBondContact O-CD 3.25Å; S144-K189 WeakPolarHBondContact O-CE 3.41Å; S144-K189 WeakPolarHBondContact O-CG 3.43Å; Q145-K189 PolarHBondContact O-NZ 3.16Å; K189-A192 WeakPolarHBondContact O-CB 3.39Å; K189-A192 PolarHBondContact O-N 3.38Å; K189-D193 PolarHBondContact O-N 2.95Å; K189-P406 HydrophobicContact CD-CB 4.08Å |
| 190 | S | 88.8 | Confident | 91.9 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 25% | 0.245 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -37.3 | 176 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | S188 Y194 | S188-S190 PolarHBondContact O-N 3.04Å; S188-S190 PolarHBondContact OG-OG 3.03Å; S190-Y194 PolarHBondContact O-N 3.44Å; S190-Y194 VanDerWaalsContact O-N 3.15Å |
| 191 | E | 91.4 | Very high | 91.9 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.9 | -37.6 | 172.5 | 175.5 | 69.8 | 176.7 | 0 | 0 | 110.7 | I187 S188 D193 Y194 R195 | I187-E191 HydrophobicContact CG2-CB 3.97Å; I187-E191 HydrophobicContact CG2-CG 3.79Å; S188-E191 PolarHBondContact O-N 3.03Å; S188-E191 VanDerWaalsContact O-N 3.08Å; S188-E191 WeakPolarHBondContact OG-CB 3.47Å; S188-E191 PolarHBondContact OG-N 2.84Å; E191-D193 PolarHBondContact O-N 3.43Å; E191-Y194 PolarHBondContact O-N 3.26Å; E191-R195 HydrophobicContact CG-CG 4.29Å; E191-R195 WeakPolarHBondContact O-CB 3.27Å; E191-R195 WeakPolarHBondContact O-CG 3.42Å; E191-R195 PolarHBondContact O-N 2.91Å; E191-R195 IonicContact OE1-CZ 2.81Å; E191-R195 IonicContact OE1-NE 3.32Å; E191-R195 PolarHBondContact OE1-NE 3.41Å; E191-R195 IonicContact OE1-NH2 3.3Å; E191-R195 PolarHBondContact OE1-NH2 3.07Å |
| 192 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q143 I187 S188 K189 R195 L196 | Q143-A192 HydrophobicContact CB-CB 4.01Å; Q143-A192 HydrophobicContact CG-CB 3.77Å; I187-A192 HydrophobicContact CG2-CB 3.98Å; S188-A192 PolarHBondContact O-N 2.93Å; K189-A192 WeakPolarHBondContact O-CB 3.39Å; K189-A192 PolarHBondContact O-N 3.38Å; A192-R195 PolarHBondContact O-N 2.71Å; A192-L196 WeakPolarHBondContact O-CB 3.33Å; A192-L196 PolarHBondContact O-N 3.02Å |
| 193 | D | 93.7 | Very high | 91.7 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -38.1 | 174.7 | -74.2 | -28.5 | 0 | 0 | 0 | 112.3 | A115 S144 K189 E191 L196 L197 | A115-D193 HydrophobicContact CB-CB 3.62Å; S144-D193 WeakPolarHBondContact CB-OD1 3.43Å; S144-D193 PolarHBondContact OG-OD1 3.09Å; K189-D193 PolarHBondContact O-N 2.95Å; E191-D193 PolarHBondContact O-N 3.43Å; D193-L196 WeakPolarHBondContact O-CB 3.18Å; D193-L196 PolarHBondContact O-N 2.87Å; D193-L197 WeakPolarHBondContact O-CG 3.41Å; D193-L197 PolarHBondContact O-N 3.39Å |
| 194 | Y | 92.7 | Very high | 91.5 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 26% | 0.263 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63 | -41.1 | 171.2 | 174.3 | -112.7 | 0 | 0 | 0 | 112.4 | N103 S190 E191 L197 D198 | N103-Y194 HydrophobicContact CB-CE2 3.87Å; S190-Y194 PolarHBondContact O-N 3.44Å; S190-Y194 VanDerWaalsContact O-N 3.15Å; E191-Y194 PolarHBondContact O-N 3.26Å; Y194-L197 PolarHBondContact O-N 2.99Å; Y194-D198 PolarHBondContact O-N 2.52Å |
| 195 | R | 93 | Very high | 91.4 | Very high | 110 Ų | 110 | 45.2 Ų | 45.2 | 42% | 0.415 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 176.2 | -66.1 | -74.3 | 170.4 | 171.4 | -1.4 | 112 | F140 E191 A192 L197 D198 A199 | F140-R195 HydrophobicContact CD1-CB 3.87Å; F140-R195 HydrophobicContact CD2-CB 4.28Å; F140-R195 HydrophobicContact CE1-CB 3.62Å; F140-R195 HydrophobicContact CE1-CG 4.27Å; F140-R195 HydrophobicContact CE2-CB 4.03Å; F140-R195 HydrophobicContact CG-CB 4.22Å; F140-R195 HydrophobicContact CZ-CB 3.71Å; E191-R195 HydrophobicContact CG-CG 4.29Å; E191-R195 WeakPolarHBondContact O-CB 3.27Å; E191-R195 WeakPolarHBondContact O-CG 3.42Å; E191-R195 PolarHBondContact O-N 2.91Å; E191-R195 IonicContact OE1-CZ 2.81Å; E191-R195 IonicContact OE1-NE 3.32Å; E191-R195 PolarHBondContact OE1-NE 3.41Å; E191-R195 IonicContact OE1-NH2 3.3Å; E191-R195 PolarHBondContact OE1-NH2 3.07Å; A192-R195 PolarHBondContact O-N 2.71Å; R195-L197 VanDerWaalsContact C-N 3.32Å; R195-L197 PolarHBondContact O-N 3.06Å; R195-D198 PolarHBondContact O-N 3.07Å; R195-A199 WeakPolarHBondContact O-CB 3.33Å; R195-A199 PolarHBondContact O-N 3.02Å |
| 196 | L | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 171.6 | -179.5 | 65.1 | 0 | 0 | 0 | 110.5 | A115 I118 L137 F140 I141 A192 D193 A199 A200 | A115-L196 HydrophobicContact CB-CD2 4.22Å; I118-L196 HydrophobicContact CG2-CD1 4.37Å; I118-L196 HydrophobicContact CG2-CD2 4.32Å; I118-L196 HydrophobicContact CG2-CG 4.11Å; L137-L196 HydrophobicContact CB-CD1 4.04Å; L137-L196 HydrophobicContact CD2-CD1 3.67Å; L137-L196 HydrophobicContact CG-CD1 4.46Å; F140-L196 HydrophobicContact CB-CB 3.95Å; F140-L196 HydrophobicContact CB-CD1 4.19Å; I141-L196 HydrophobicContact CD1-CD1 4.24Å; I141-L196 HydrophobicContact CD1-CD2 4.45Å; I141-L196 HydrophobicContact CG1-CD1 3.94Å; I141-L196 HydrophobicContact CG1-CD2 3.74Å; A192-L196 WeakPolarHBondContact O-CB 3.33Å; A192-L196 PolarHBondContact O-N 3.02Å; D193-L196 WeakPolarHBondContact O-CB 3.18Å; D193-L196 PolarHBondContact O-N 2.87Å; L196-A199 PolarHBondContact O-N 3.19Å; L196-A200 WeakPolarHBondContact O-CB 3.18Å; L196-A200 PolarHBondContact O-N 3.14Å |
| 197 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.8 | -40.6 | 178.4 | -65.8 | 175.5 | 0 | 0 | 0 | 113.3 | P102 R111 I118 D193 Y194 R195 A199 A200 R201 | P102-L197 HydrophobicContact CB-CB 3.86Å; P102-L197 HydrophobicContact CB-CD1 4.07Å; P102-L197 HydrophobicContact CG-CB 3.9Å; R111-L197 HydrophobicContact CG-CD1 3.64Å; I118-L197 HydrophobicContact CB-CD2 4.4Å; I118-L197 HydrophobicContact CG1-CD2 3.81Å; D193-L197 WeakPolarHBondContact O-CG 3.41Å; D193-L197 PolarHBondContact O-N 3.39Å; Y194-L197 PolarHBondContact O-N 2.99Å; R195-L197 VanDerWaalsContact C-N 3.32Å; R195-L197 PolarHBondContact O-N 3.06Å; L197-A199 VanDerWaalsContact C-N 3.29Å; L197-A199 PolarHBondContact O-N 3.19Å; L197-A200 PolarHBondContact O-N 3.37Å; L197-R201 WeakPolarHBondContact O-CB 3.48Å; L197-R201 WeakPolarHBondContact O-CG 3.4Å; L197-R201 PolarHBondContact O-N 3.28Å |
| 198 | D | 92.1 | Very high | 91.4 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -28.2 | 174.4 | -175.8 | 61.8 | 0 | 0 | 0 | 112.5 | Y194 R195 R201 K202 | Y194-D198 PolarHBondContact O-N 2.52Å; R195-D198 PolarHBondContact O-N 3.07Å; D198-R201 IonicContact OD1-CZ 2.7Å; D198-R201 IonicContact OD1-NE 2.92Å; D198-R201 PolarHBondContact OD1-NE 3.24Å; D198-R201 IonicContact OD1-NH2 3.72Å; D198-R201 PolarHBondContact OD1-NH2 2.93Å; D198-K202 VanDerWaalsContact CG-NZ 3.3Å; D198-K202 WeakPolarHBondContact O-CD 3.38Å; D198-K202 WeakPolarHBondContact O-CE 3.3Å; D198-K202 PolarHBondContact O-NZ 3.03Å; D198-K202 IonicContact OD1-NZ 2.7Å; D198-K202 IonicContact OD2-NZ 3.06Å; D198-K202 PolarHBondContact OD2-NZ 3.27Å |
| 199 | A | 91.7 | Very high | 91.3 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.4 | -50.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L137 F140 R195 L196 L197 R201 K202 | L137-A199 HydrophobicContact CD2-CB 3.78Å; F140-A199 HydrophobicContact CE2-CB 4.2Å; R195-A199 WeakPolarHBondContact O-CB 3.33Å; R195-A199 PolarHBondContact O-N 3.02Å; L196-A199 PolarHBondContact O-N 3.19Å; L197-A199 VanDerWaalsContact C-N 3.29Å; L197-A199 PolarHBondContact O-N 3.19Å; A199-R201 PolarHBondContact O-N 3.08Å; A199-K202 WeakPolarHBondContact O-CB 3.44Å; A199-K202 PolarHBondContact O-N 2.64Å; A199-K202 VanDerWaalsContact O-N 3.12Å |
| 200 | A | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | I118 L127 L137 L196 L197 K202 V203 Y206 | I118-A200 HydrophobicContact CD1-CB 4.38Å; I118-A200 HydrophobicContact CG1-CB 4.41Å; I118-A200 HydrophobicContact CG2-CB 3.7Å; L127-A200 HydrophobicContact CD2-CB 4.32Å; L137-A200 HydrophobicContact CD2-CB 4.12Å; L196-A200 WeakPolarHBondContact O-CB 3.18Å; L196-A200 PolarHBondContact O-N 3.14Å; L197-A200 PolarHBondContact O-N 3.37Å; A200-K202 PolarHBondContact O-N 2.98Å; A200-V203 VanDerWaalsContact O-CB 3.27Å; A200-V203 WeakPolarHBondContact O-CB 3.46Å; A200-V203 PolarHBondContact O-N 3.37Å; A200-Y206 HydrophobicContact CB-CD2 4.09Å; A200-Y206 HydrophobicContact CB-CE2 4.48Å; A200-Y206 WeakPolarHBondContact O-CB 3.13Å |
| 201 | R | 91.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 38 Ų | 38 | 33% | 0.325 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -10.6 | 177.7 | 76 | -175.7 | -173.6 | 85.5 | 6.9 | 115 | L197 D198 A199 Y206 | L197-R201 WeakPolarHBondContact O-CB 3.48Å; L197-R201 WeakPolarHBondContact O-CG 3.4Å; L197-R201 PolarHBondContact O-N 3.28Å; D198-R201 IonicContact OD1-CZ 2.7Å; D198-R201 IonicContact OD1-NE 2.92Å; D198-R201 PolarHBondContact OD1-NE 3.24Å; D198-R201 IonicContact OD1-NH2 3.72Å; D198-R201 PolarHBondContact OD1-NH2 2.93Å; A199-R201 PolarHBondContact O-N 3.08Å; R201-Y206 HydrophobicContact CB-CD1 4.21Å; R201-Y206 HydrophobicContact CB-CD2 4.38Å; R201-Y206 HydrophobicContact CB-CE1 4.11Å; R201-Y206 HydrophobicContact CB-CE2 4.28Å; R201-Y206 HydrophobicContact CB-CG 4.35Å |
| 202 | K | 88.5 | Confident | 91.4 | Very high | 135 Ų | 135 | 38.4 Ų | 38.4 | 59% | 0.587 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -5.7 | 175.4 | -56.8 | 172.1 | -173.7 | 122.7 | 0 | 112.3 | D198 A199 A200 | D198-K202 VanDerWaalsContact CG-NZ 3.3Å; D198-K202 WeakPolarHBondContact O-CD 3.38Å; D198-K202 WeakPolarHBondContact O-CE 3.3Å; D198-K202 PolarHBondContact O-NZ 3.03Å; D198-K202 IonicContact OD1-NZ 2.7Å; D198-K202 IonicContact OD2-NZ 3.06Å; D198-K202 PolarHBondContact OD2-NZ 3.27Å; A199-K202 WeakPolarHBondContact O-CB 3.44Å; A199-K202 PolarHBondContact O-N 2.64Å; A199-K202 VanDerWaalsContact O-N 3.12Å; A200-K202 PolarHBondContact O-N 2.98Å |
| 203 | V | 89.6 | Confident | 91.4 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -87.1 | 138.3 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 110 | L127 H128 T133 L137 A200 L205 Y206 | L127-V203 HydrophobicContact CD1-CB 4.03Å; L127-V203 HydrophobicContact CD1-CG1 3.76Å; L127-V203 HydrophobicContact CG-CG1 4.13Å; H128-V203 WeakPolarHBondContact O-CG1 3.47Å; T133-V203 HydrophobicContact CG2-CG2 3.88Å; L137-V203 HydrophobicContact CD1-CG2 4.37Å; A200-V203 VanDerWaalsContact O-CB 3.27Å; A200-V203 WeakPolarHBondContact O-CB 3.46Å; A200-V203 PolarHBondContact O-N 3.37Å; V203-L205 VanDerWaalsContact C-N 3.26Å; V203-L205 PolarHBondContact O-N 3.31Å; V203-L205 VanDerWaalsContact O-N 3.14Å; V203-Y206 WeakPolarHBondContact O-CB 3.34Å; V203-Y206 PolarHBondContact O-N 2.86Å; V203-Y206 VanDerWaalsContact O-N 3.12Å |
| 204 | E | 86.4 | Confident | 91.3 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.7 | -166.5 | -157.7 | 176.5 | 133.7 | 0 | 0 | 114.7 | F233 R238 R443 | E204-F233 HydrophobicContact CG-CE1 4.26Å; E204-R238 WeakPolarHBondContact OE1-CB 3.47Å; E204-R238 PolarHBondContact OE1-N 3.06Å; E204-R443 VanDerWaalsContact CD-NH1 3.29Å; E204-R443 IonicContact OE1-NH1 2.67Å; E204-R443 PolarHBondContact OE1-NH1 2.87Å; E204-R443 IonicContact OE2-CZ 3.56Å; E204-R443 VanDerWaalsContact OE2-CZ 3.23Å; E204-R443 IonicContact OE2-NH1 3.23Å; E204-R443 PolarHBondContact OE2-NH1 3.18Å; E204-R443 IonicContact OE2-NH2 3.34Å; E204-R443 PolarHBondContact OE2-NH2 3.21Å |
| 205 | L | 89.7 | Confident | 91.2 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 12.4 | 179.6 | -61.1 | -175.5 | 0 | 0 | 0 | 114.3 | H128 V203 G207 I208 L210 F233 F236 | H128-L205 HydrophobicContact CB-CD1 3.89Å; V203-L205 VanDerWaalsContact C-N 3.26Å; V203-L205 PolarHBondContact O-N 3.31Å; V203-L205 VanDerWaalsContact O-N 3.14Å; L205-G207 PolarHBondContact O-N 2.77Å; L205-G207 VanDerWaalsContact O-N 3.11Å; L205-I208 HydrophobicContact CD2-CG2 4.49Å; L205-I208 PolarHBondContact O-N 3.4Å; L205-L210 HydrophobicContact CD1-CD1 4.35Å; L205-L210 HydrophobicContact CD2-CD1 4.4Å; L205-L210 HydrophobicContact CD2-CD2 4.07Å; L205-L210 HydrophobicContact CD2-CG 4.42Å; L205-F233 HydrophobicContact CD2-CD1 4.1Å; L205-F233 HydrophobicContact CD2-CE1 3.45Å; L205-F233 VanDerWaalsContact CD2-CE1 3.45Å; L205-F233 HydrophobicContact CD2-CE2 4.29Å; L205-F233 HydrophobicContact CD2-CZ 3.55Å; L205-F236 HydrophobicContact CD1-CD1 4.32Å |
| 206 | Y | 91.7 | Very high | 90.8 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 117.7 | 178.3 | 169.7 | -98.3 | 0 | 0 | 0 | 112.4 | F98 T99 I118 A200 R201 V203 I208 | F98-Y206 HydrophobicContact CB-CE1 4.1Å; F98-Y206 HydrophobicContact CD1-CE2 4.19Å; T99-Y206 VanDerWaalsContact O-CE1 3.3Å; T99-Y206 WeakPolarHBondContact O-CE1 3.4Å; T99-Y206 PolarHBondContact O-OH 2.88Å; I118-Y206 HydrophobicContact CD1-CD2 3.75Å; I118-Y206 HydrophobicContact CD1-CE2 3.84Å; I118-Y206 HydrophobicContact CG1-CE2 4.34Å; A200-Y206 HydrophobicContact CB-CD2 4.09Å; A200-Y206 HydrophobicContact CB-CE2 4.48Å; A200-Y206 WeakPolarHBondContact O-CB 3.13Å; R201-Y206 HydrophobicContact CB-CD1 4.21Å; R201-Y206 HydrophobicContact CB-CD2 4.38Å; R201-Y206 HydrophobicContact CB-CE1 4.11Å; R201-Y206 HydrophobicContact CB-CE2 4.28Å; R201-Y206 HydrophobicContact CB-CG 4.35Å; V203-Y206 WeakPolarHBondContact O-CB 3.34Å; V203-Y206 PolarHBondContact O-N 2.86Å; V203-Y206 VanDerWaalsContact O-N 3.12Å; Y206-I208 PolarHBondContact O-N 2.97Å |
| 207 | G | 88.7 | Confident | 90.3 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 6.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L205 | L205-G207 PolarHBondContact O-N 2.77Å; L205-G207 VanDerWaalsContact O-N 3.11Å |
| 208 | I | 90.2 | Very high | 89.8 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -98.1 | 133.7 | -179.1 | -58.9 | 177.8 | 0 | 0 | 0 | 108.9 | L205 Y206 L210 N226 M231 F233 | L205-I208 HydrophobicContact CD2-CG2 4.49Å; L205-I208 PolarHBondContact O-N 3.4Å; Y206-I208 PolarHBondContact O-N 2.97Å; I208-L210 HydrophobicContact CG2-CD2 3.96Å; I208-N226 HydrophobicContact CD1-CB 4.46Å; I208-N226 HydrophobicContact CG1-CB 4.23Å; I208-M231 HydrophobicContact CD1-CE 3.63Å; I208-M231 HydrophobicContact CD1-SD 3.45Å; I208-M231 WeakPolarHBondContact CD1-SD 3.44Å; I208-F233 HydrophobicContact CD1-CE2 4.36Å; I208-F233 HydrophobicContact CD1-CZ 3.98Å; I208-F233 HydrophobicContact CG2-CE2 4.3Å | ||
| 209 | R | 89.6 | Confident | 89.7 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 25% | 0.249 | 28% | 0.276 | C | S | . | . | trans | -109.5 | 130.4 | 158.2 | -54.9 | -66.3 | -176.2 | -110.1 | 2.7 | 107.5 | D121 H211 | D121-R209 IonicContact OD1-CZ 3.08Å; D121-R209 IonicContact OD1-NH1 2.82Å; D121-R209 IonicContact OD1-NH2 3.58Å; D121-R209 PolarHBondContact OD1-NH2 3.38Å; D121-R209 IonicContact OD2-CZ 3.67Å; D121-R209 IonicContact OD2-NH1 2.72Å; D121-R209 PolarHBondContact OD2-NH1 3.36Å; D121-R209 IonicContact OD2-NH2 2.69Å; D121-R209 PolarHBondContact OD2-NH2 2.79Å; R209-H211 PolarHBondContact O-CD2 2.85Å; R209-H211 VanDerWaalsContact O-CD2 3.3Å | ||
| 210 | L | 90.8 | Very high | 89.6 | Confident | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | trans | -80 | 142.6 | 176.1 | -59.8 | -179.8 | 0 | 0 | 0 | 109.5 | L205 I208 N222 L223 F233 F236 | L205-L210 HydrophobicContact CD1-CD1 4.35Å; L205-L210 HydrophobicContact CD2-CD1 4.4Å; L205-L210 HydrophobicContact CD2-CD2 4.07Å; L205-L210 HydrophobicContact CD2-CG 4.42Å; I208-L210 HydrophobicContact CG2-CD2 3.96Å; L210-N222 HydrophobicContact CB-CB 4.11Å; L210-N222 HydrophobicContact CD1-CB 4.16Å; L210-N222 HydrophobicContact CD2-CB 4.24Å; L210-N222 HydrophobicContact CG-CB 4.4Å; L210-L223 CarbonylContact C-O 3.59Å; L210-F233 HydrophobicContact CD2-CB 4.34Å; L210-F233 HydrophobicContact CD2-CD2 3.41Å; L210-F233 VanDerWaalsContact CD2-CD2 3.41Å; L210-F233 HydrophobicContact CD2-CE2 3.7Å; L210-F233 HydrophobicContact CD2-CG 3.88Å; L210-F233 HydrophobicContact CD2-CZ 4.38Å; L210-F236 HydrophobicContact CD1-CD1 3.83Å; L210-F236 HydrophobicContact CD1-CE1 4.15Å | ||
| 211 | H | 91.1 | Very high | 89.6 | Confident | 41 Ų | 41 | 61 Ų | 61 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124.3 | 175 | -65.5 | -99 | 0 | 0 | 0 | 108.7 | R209 A213 L223 F277 F286 K289 | R209-H211 PolarHBondContact O-CD2 2.85Å; R209-H211 VanDerWaalsContact O-CD2 3.3Å; H211-A213 PolarHBondContact O-N 2.94Å; H211-L223 PolarHBondContact N-O 2.75Å; H211-L223 PolarHBondContact O-N 3.41Å; H211-F277 HydrophobicContact CB-CE1 4.23Å; H211-F286 HydrophobicContact CB-CD2 3.78Å; H211-F286 HydrophobicContact CB-CE2 4.12Å; H211-F286 AromaticContact CD2-CD2 3.59Å; H211-F286 AromaticContact CD2-CE2 3.79Å; H211-F286 AromaticContact CG-CD2 3.6Å; H211-K289 PolarHBondContact NE2-NZ 2.87Å |
| 212 | A | 91.1 | Very high | 89.7 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F277 | A212-F277 WeakPolarHBondContact O-CD1 3.19Å |
| 213 | A | 93.7 | Very high | 90 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | -176.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | H211 P220 V221 L223 F275 S276 F277 | H211-A213 PolarHBondContact O-N 2.94Å; A213-P220 WeakPolarHBondContact O-CA 3.46Å; A213-V221 CarbonylContact C-O 3.58Å; A213-V221 PolarHBondContact N-O 2.89Å; A213-V221 PolarHBondContact O-N 3.38Å; A213-L223 HydrophobicContact CB-CD1 3.73Å; A213-L223 HydrophobicContact CB-CG 4.02Å; A213-F275 HydrophobicContact CB-CB 4.43Å; A213-S276 CarbonylContact C-O 3.58Å; A213-S276 WeakPolarHBondContact CA-O 3.3Å; A213-S276 WeakPolarHBondContact CB-O 3.33Å; A213-F277 HydrophobicContact CB-CD1 4.37Å; A213-F277 HydrophobicContact CB-CD2 4.41Å; A213-F277 HydrophobicContact CB-CE1 4.25Å; A213-F277 HydrophobicContact CB-CE2 4.26Å; A213-F277 HydrophobicContact CB-CG 4.47Å; A213-F277 HydrophobicContact CB-CZ 4.19Å |
| 214 | K | 92.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.9 | 168.8 | -55 | 178.3 | 163.9 | -152 | 0 | 111.3 | D218 K219 F275 S276 | K214-D218 HydrophobicContact CD-CB 4.4Å; K214-D218 WeakPolarHBondContact CD-O 3.47Å; K214-D218 WeakPolarHBondContact CD-OD1 3.41Å; K214-D218 WeakPolarHBondContact CE-OD1 3.47Å; K214-D218 PolarHBondContact NZ-O 2.81Å; K214-D218 IonicContact NZ-OD1 3.7Å; K214-D218 PolarHBondContact NZ-OD1 2.95Å; K214-K219 CarbonylContact C-O 3.56Å; K214-K219 WeakPolarHBondContact CA-O 3.3Å; K214-F275 CarbonylContact O-C 3.56Å; K214-F275 WeakPolarHBondContact O-CA 3.46Å; K214-S276 PolarHBondContact N-O 3.28Å; K214-S276 PolarHBondContact O-N 2.82Å |
| 215 | N | 89.5 | Confident | 90.4 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | trans | -82.2 | -173.8 | 173.9 | 77 | -10.9 | 0 | 0 | 0 | 111.9 | E217 D218 K219 V221 F275 | N215-E217 PolarHBondContact ND2-OE2 2.87Å; N215-E217 VanDerWaalsContact ND2-OE2 3.15Å; N215-E217 PolarHBondContact O-N 3.11Å; N215-E217 VanDerWaalsContact OD1-C 3.29Å; N215-E217 WeakPolarHBondContact OD1-CA 3.35Å; N215-E217 WeakPolarHBondContact OD1-CB 3.36Å; N215-E217 PolarHBondContact OD1-N 2.9Å; N215-D218 PolarHBondContact O-N 3.3Å; N215-D218 VanDerWaalsContact O-N 3.13Å; N215-D218 PolarHBondContact OD1-N 2.96Å; N215-K219 PolarHBondContact N-O 3.14Å; N215-K219 WeakPolarHBondContact OD1-CB 3.13Å; N215-K219 PolarHBondContact OD1-N 3.11Å; N215-K219 PolarHBondContact OD1-O 3.12Å; N215-V221 HydrophobicContact CB-CG1 4.43Å; N215-V221 HydrophobicContact CB-CG2 4.44Å; N215-F275 HydrophobicContact CB-CE1 4.44Å | ||
| 216 | I | 84.9 | Confident | 90.4 | Very high | 118 Ų | 118 | 49.7 Ų | 49.7 | 61% | 0.605 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.2 | 176.8 | -62.6 | 170.1 | 0 | 0 | 0 | 112.4 | D218 E274 | I216-D218 VanDerWaalsContact C-N 3.3Å; I216-E274 HydrophobicContact CD1-CB 4.47Å; I216-E274 HydrophobicContact CG1-CB 4.14Å |
| 217 | E | 86 | Confident | 90.2 | Very high | 127 Ų | 127 | 51.7 Ų | 51.7 | 59% | 0.593 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 13.8 | 176.9 | -48.7 | 171.8 | 148.3 | 0 | 0 | 112 | N215 K219 | N215-E217 PolarHBondContact ND2-OE2 2.87Å; N215-E217 VanDerWaalsContact ND2-OE2 3.15Å; N215-E217 PolarHBondContact O-N 3.11Å; N215-E217 VanDerWaalsContact OD1-C 3.29Å; N215-E217 WeakPolarHBondContact OD1-CA 3.35Å; N215-E217 WeakPolarHBondContact OD1-CB 3.36Å; N215-E217 PolarHBondContact OD1-N 2.9Å; E217-K219 HydrophobicContact CB-CD 4.37Å; E217-K219 HydrophobicContact CB-CG 4.23Å; E217-K219 PolarHBondContact O-N 3.04Å; E217-K219 IonicContact OE1-NZ 2.77Å; E217-K219 WeakPolarHBondContact OE2-CD 3.49Å; E217-K219 WeakPolarHBondContact OE2-CE 3.36Å; E217-K219 IonicContact OE2-NZ 3.14Å; E217-K219 PolarHBondContact OE2-NZ 2.89Å |
| 218 | D | 83.2 | Confident | 90.1 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | trans | 56.2 | 10.9 | -174.6 | -104.2 | -69.7 | 0 | 0 | 0 | 115.8 | K214 N215 I216 | K214-D218 HydrophobicContact CD-CB 4.4Å; K214-D218 WeakPolarHBondContact CD-O 3.47Å; K214-D218 WeakPolarHBondContact CD-OD1 3.41Å; K214-D218 WeakPolarHBondContact CE-OD1 3.47Å; K214-D218 PolarHBondContact NZ-O 2.81Å; K214-D218 IonicContact NZ-OD1 3.7Å; K214-D218 PolarHBondContact NZ-OD1 2.95Å; N215-D218 PolarHBondContact O-N 3.3Å; N215-D218 VanDerWaalsContact O-N 3.13Å; N215-D218 PolarHBondContact OD1-N 2.96Å; I216-D218 VanDerWaalsContact C-N 3.3Å | ||
| 219 | K | 89.1 | Confident | 90.1 | Very high | 114 Ų | 114 | 55.4 Ų | 55.4 | 50% | 0.496 | 29% | 0.285 | S | S | . | . | trans | -71.1 | 135.7 | 174.4 | -63.9 | 176.4 | -174.4 | 157.7 | 0 | 110.3 | K214 N215 E217 V221 | K214-K219 CarbonylContact C-O 3.56Å; K214-K219 WeakPolarHBondContact CA-O 3.3Å; N215-K219 PolarHBondContact N-O 3.14Å; N215-K219 WeakPolarHBondContact OD1-CB 3.13Å; N215-K219 PolarHBondContact OD1-N 3.11Å; N215-K219 PolarHBondContact OD1-O 3.12Å; E217-K219 HydrophobicContact CB-CD 4.37Å; E217-K219 HydrophobicContact CB-CG 4.23Å; E217-K219 PolarHBondContact O-N 3.04Å; E217-K219 IonicContact OE1-NZ 2.77Å; E217-K219 WeakPolarHBondContact OE2-CD 3.49Å; E217-K219 WeakPolarHBondContact OE2-CE 3.36Å; E217-K219 IonicContact OE2-NZ 3.14Å; E217-K219 PolarHBondContact OE2-NZ 2.89Å; K219-V221 PolarHBondContact O-N 3.01Å | ||
| 220 | P | 90.1 | Very high | 90.3 | Very high | 106 Ų | 106 | 52.2 Ų | 52.2 | 69% | 0.688 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 129.4 | -179.5 | 28.8 | -34.3 | 0 | 0 | 0 | 111.4 | A213 | A213-P220 WeakPolarHBondContact O-CA 3.46Å |
| 221 | V | 93.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.4 | 179.1 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | A213 N215 K219 I232 F275 | A213-V221 CarbonylContact C-O 3.58Å; A213-V221 PolarHBondContact N-O 2.89Å; A213-V221 PolarHBondContact O-N 3.38Å; N215-V221 HydrophobicContact CB-CG1 4.43Å; N215-V221 HydrophobicContact CB-CG2 4.44Å; K219-V221 PolarHBondContact O-N 3.01Å; V221-I232 HydrophobicContact CB-CG2 4.21Å; V221-I232 HydrophobicContact CG1-CG2 4.43Å; V221-F275 HydrophobicContact CG2-CD1 3.98Å; V221-F275 HydrophobicContact CG2-CE1 4.22Å |
| 222 | N | 93.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123.2 | 178.5 | -83.1 | -32 | 0 | 0 | 0 | 110.1 | L210 F233 K235 | L210-N222 HydrophobicContact CB-CB 4.11Å; L210-N222 HydrophobicContact CD1-CB 4.16Å; L210-N222 HydrophobicContact CD2-CB 4.24Å; L210-N222 HydrophobicContact CG-CB 4.4Å; N222-F233 HydrophobicContact CB-CB 3.97Å; N222-F233 PolarHBondContact N-O 3.03Å; N222-F233 PolarHBondContact O-N 2.98Å; N222-K235 PolarHBondContact ND2-O 3.04Å |
| 223 | L | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.8 | 178.4 | -62.9 | 178.2 | 0 | 0 | 0 | 111.4 | L210 H211 A213 M231 I232 L257 F275 F277 F286 | L210-L223 CarbonylContact C-O 3.59Å; H211-L223 PolarHBondContact N-O 2.75Å; H211-L223 PolarHBondContact O-N 3.41Å; A213-L223 HydrophobicContact CB-CD1 3.73Å; A213-L223 HydrophobicContact CB-CG 4.02Å; L223-M231 WeakPolarHBondContact CA-O 3.27Å; L223-I232 HydrophobicContact CD2-CB 4.44Å; L223-I232 HydrophobicContact CD2-CG1 3.77Å; L223-L257 HydrophobicContact CD1-CD2 4.33Å; L223-F275 HydrophobicContact CD1-CB 3.86Å; L223-F275 HydrophobicContact CD1-CD1 4.27Å; L223-F275 HydrophobicContact CD1-CD2 4.13Å; L223-F275 HydrophobicContact CD1-CG 3.81Å; L223-F275 HydrophobicContact CD2-CD1 4.14Å; L223-F275 HydrophobicContact CD2-CD2 4.44Å; L223-F275 HydrophobicContact CD2-CE1 4.16Å; L223-F275 HydrophobicContact CD2-CE2 4.46Å; L223-F275 HydrophobicContact CD2-CG 4.31Å; L223-F275 HydrophobicContact CD2-CZ 4.35Å; L223-F277 HydrophobicContact CD1-CE2 4.12Å; L223-F277 HydrophobicContact CD1-CZ 3.8Å; L223-F286 HydrophobicContact CB-CE1 4.24Å; L223-F286 HydrophobicContact CB-CE2 3.77Å; L223-F286 HydrophobicContact CB-CZ 3.53Å; L223-F286 HydrophobicContact CD1-CE1 4.28Å; L223-F286 HydrophobicContact CD1-CZ 4.39Å |
| 224 | G | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 160.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I230 M231 | G224-I230 WeakPolarHBondContact O-CA 3.47Å; G224-M231 PolarHBondContact N-O 2.97Å; G224-M231 PolarHBondContact O-N 2.7Å |
| 225 | V | 92.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.1 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | W244 F286 C290 Q293 | V225-W244 HydrophobicContact CG1-CH2 3.81Å; V225-W244 HydrophobicContact CG1-CZ2 3.64Å; V225-F286 HydrophobicContact CG2-CD2 4.39Å; V225-F286 HydrophobicContact CG2-CE1 4.18Å; V225-F286 HydrophobicContact CG2-CE2 3.59Å; V225-F286 HydrophobicContact CG2-CZ 3.45Å; V225-F286 VanDerWaalsContact CG2-CZ 3.45Å; V225-C290 VanDerWaalsContact CG2-SG 3.59Å; V225-Q293 HydrophobicContact CG1-CB 3.84Å; V225-Q293 HydrophobicContact CG1-CG 3.94Å |
| 226 | N | 89.6 | Confident | 89.6 | Confident | 26 Ų | 26 | 55 Ų | 55 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | trans | -140.7 | -173.8 | 174.3 | 77.9 | -3.8 | 0 | 0 | 0 | 112 | I208 F228 G229 M231 W244 | I208-N226 HydrophobicContact CD1-CB 4.46Å; I208-N226 HydrophobicContact CG1-CB 4.23Å; N226-F228 PolarHBondContact O-N 2.79Å; N226-F228 VanDerWaalsContact O-N 3.15Å; N226-F228 WeakPolarHBondContact OD1-CA 3.48Å; N226-F228 WeakPolarHBondContact OD1-CB 3.48Å; N226-F228 PolarHBondContact OD1-N 2.89Å; N226-G229 PolarHBondContact N-O 2.74Å; N226-G229 PolarHBondContact O-N 2.73Å; N226-G229 PolarHBondContact OD1-N 3.44Å; N226-G229 PolarHBondContact OD1-O 3.13Å; N226-M231 HydrophobicContact CB-SD 4.24Å; N226-M231 VanDerWaalsContact CG-SD 3.56Å; N226-M231 PolarHBondContact ND2-SD 2.56Å; N226-W244 PolarHBondContact O-NE1 3.12Å; N226-W244 VanDerWaalsContact O-NE1 3.11Å | ||
| 227 | H | 85.9 | Confident | 89.6 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -59.5 | -21.6 | 178.3 | 65.2 | -93 | 0 | 0 | 0 | 114.5 | W244 F297 | H227-W244 VanDerWaalsContact O-CD1 3.26Å; H227-W244 PolarHBondContact O-NE1 3.21Å; H227-F297 HydrophobicContact CB-CD1 4.25Å; H227-F297 HydrophobicContact CB-CD2 3.66Å; H227-F297 HydrophobicContact CB-CE1 4.08Å; H227-F297 HydrophobicContact CB-CE2 3.46Å; H227-F297 VanDerWaalsContact CB-CE2 3.46Å; H227-F297 HydrophobicContact CB-CG 4.06Å; H227-F297 HydrophobicContact CB-CZ 3.69Å |
| 228 | F | 86.7 | Confident | 89.6 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -97.7 | -32.9 | -175.9 | -177.1 | -90.9 | 0 | 0 | 0 | 112.9 | N226 T241 N243 W244 | N226-F228 PolarHBondContact O-N 2.79Å; N226-F228 VanDerWaalsContact O-N 3.15Å; N226-F228 WeakPolarHBondContact OD1-CA 3.48Å; N226-F228 WeakPolarHBondContact OD1-CB 3.48Å; N226-F228 PolarHBondContact OD1-N 2.89Å; F228-T241 HydrophobicContact CD1-CG2 3.65Å; F228-T241 HydrophobicContact CE1-CG2 3.82Å; F228-N243 HydrophobicContact CD1-CB 4.24Å; F228-N243 HydrophobicContact CE1-CB 3.76Å; F228-N243 VanDerWaalsContact CE2-ND2 3.28Å; F228-N243 WeakPolarHBondContact CE2-ND2 3.26Å; F228-N243 HydrophobicContact CZ-CB 4.14Å; F228-N243 WeakPolarHBondContact CZ-ND2 3.42Å; F228-N243 WeakPolarHBondContact O-CA 3.34Å; F228-N243 PolarHBondContact O-OD1 3.4Å; F228-W244 VanDerWaalsContact O-CD1 3.25Å; F228-W244 PolarHBondContact O-N 3.29Å |
| 229 | G | 90.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173 | -159.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | N226 F242 | N226-G229 PolarHBondContact N-O 2.74Å; N226-G229 PolarHBondContact O-N 2.73Å; N226-G229 PolarHBondContact OD1-N 3.44Å; N226-G229 PolarHBondContact OD1-O 3.13Å; G229-F242 VanDerWaalsContact CA-O 3.22Å; G229-F242 WeakPolarHBondContact CA-O 2.96Å |
| 230 | I | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.8 | 169.6 | -59.8 | 176.2 | 0 | 0 | 0 | 108.1 | G224 T241 F242 W244 I247 L250 I259 F286 C290 | G224-I230 WeakPolarHBondContact O-CA 3.47Å; I230-T241 CarbonylContact O-C 3.56Å; I230-T241 WeakPolarHBondContact O-CA 3.47Å; I230-F242 PolarHBondContact N-O 2.75Å; I230-F242 PolarHBondContact O-N 2.83Å; I230-W244 HydrophobicContact CD1-CH2 4.38Å; I230-W244 HydrophobicContact CD1-CZ3 4.11Å; I230-W244 HydrophobicContact CG1-CH2 3.76Å; I230-W244 HydrophobicContact CG1-CZ3 3.79Å; I230-I247 HydrophobicContact CD1-CD1 3.96Å; I230-I247 HydrophobicContact CG1-CD1 4.13Å; I230-L250 HydrophobicContact CD1-CD1 4.13Å; I230-L250 HydrophobicContact CD1-CD2 3.75Å; I230-I259 HydrophobicContact CD1-CD1 3.95Å; I230-I259 HydrophobicContact CG2-CD1 4.36Å; I230-F286 HydrophobicContact CG2-CE1 4.4Å; I230-F286 HydrophobicContact CG2-CZ 4.26Å; I230-C290 HydrophobicContact CD1-CB 4.31Å |
| 231 | M | 92.6 | Very high | 89.6 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142 | -175.7 | -64 | 164.9 | 73.2 | 0 | 0 | 110.2 | I208 L223 G224 N226 F233 R238 T241 | I208-M231 HydrophobicContact CD1-CE 3.63Å; I208-M231 HydrophobicContact CD1-SD 3.45Å; I208-M231 WeakPolarHBondContact CD1-SD 3.44Å; L223-M231 WeakPolarHBondContact CA-O 3.27Å; G224-M231 PolarHBondContact N-O 2.97Å; G224-M231 PolarHBondContact O-N 2.7Å; N226-M231 HydrophobicContact CB-SD 4.24Å; N226-M231 VanDerWaalsContact CG-SD 3.56Å; N226-M231 PolarHBondContact ND2-SD 2.56Å; M231-F233 HydrophobicContact CB-CD2 4.29Å; M231-F233 HydrophobicContact CB-CE2 3.63Å; M231-F233 HydrophobicContact CB-CZ 4.32Å; M231-F233 HydrophobicContact CE-CE2 4.1Å; M231-F233 HydrophobicContact CE-CZ 3.6Å; M231-R238 VanDerWaalsContact CE-CD 3.41Å; M231-R238 HydrophobicContact CE-CG 4.21Å; M231-T241 HydrophobicContact CG-CG2 3.76Å |
| 232 | I | 92.8 | Very high | 89.5 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.2 | 173.6 | -59.2 | 149.8 | 0 | 0 | 0 | 108.2 | V221 L223 R238 M239 N240 F242 F275 | V221-I232 HydrophobicContact CB-CG2 4.21Å; V221-I232 HydrophobicContact CG1-CG2 4.43Å; L223-I232 HydrophobicContact CD2-CB 4.44Å; L223-I232 HydrophobicContact CD2-CG1 3.77Å; I232-R238 CarbonylContact O-C 3.55Å; I232-R238 WeakPolarHBondContact O-CA 3.33Å; I232-M239 HydrophobicContact CG2-CB 4.36Å; I232-M239 PolarHBondContact O-N 3.48Å; I232-N240 HydrophobicContact CD1-CB 3.92Å; I232-N240 PolarHBondContact N-O 3.41Å; I232-N240 PolarHBondContact O-N 3.3Å; I232-F242 HydrophobicContact CD1-CD2 4.41Å; I232-F242 HydrophobicContact CD1-CE2 3.43Å; I232-F242 VanDerWaalsContact CD1-CE2 3.43Å; I232-F242 HydrophobicContact CD1-CZ 3.64Å; I232-F242 HydrophobicContact CG1-CE2 4.25Å; I232-F275 HydrophobicContact CD1-CE1 4.39Å; I232-F275 HydrophobicContact CD1-CZ 3.83Å; I232-F275 HydrophobicContact CG1-CE1 4.37Å; I232-F275 HydrophobicContact CG1-CZ 4.04Å |
| 233 | F | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.7 | 175.2 | -64.3 | -99.3 | 0 | 0 | 0 | 110.4 | E204 L205 I208 L210 N222 M231 S237 R238 | E204-F233 HydrophobicContact CG-CE1 4.26Å; L205-F233 HydrophobicContact CD2-CD1 4.1Å; L205-F233 HydrophobicContact CD2-CE1 3.45Å; L205-F233 VanDerWaalsContact CD2-CE1 3.45Å; L205-F233 HydrophobicContact CD2-CE2 4.29Å; L205-F233 HydrophobicContact CD2-CZ 3.55Å; I208-F233 HydrophobicContact CD1-CE2 4.36Å; I208-F233 HydrophobicContact CD1-CZ 3.98Å; I208-F233 HydrophobicContact CG2-CE2 4.3Å; L210-F233 HydrophobicContact CD2-CB 4.34Å; L210-F233 HydrophobicContact CD2-CD2 3.41Å; L210-F233 VanDerWaalsContact CD2-CD2 3.41Å; L210-F233 HydrophobicContact CD2-CE2 3.7Å; L210-F233 HydrophobicContact CD2-CG 3.88Å; L210-F233 HydrophobicContact CD2-CZ 4.38Å; N222-F233 HydrophobicContact CB-CB 3.97Å; N222-F233 PolarHBondContact N-O 3.03Å; N222-F233 PolarHBondContact O-N 2.98Å; M231-F233 HydrophobicContact CB-CD2 4.29Å; M231-F233 HydrophobicContact CB-CE2 3.63Å; M231-F233 HydrophobicContact CB-CZ 4.32Å; M231-F233 HydrophobicContact CE-CE2 4.1Å; M231-F233 HydrophobicContact CE-CZ 3.6Å; F233-S237 CarbonylContact C-O 3.57Å; F233-S237 VanDerWaalsContact CA-O 3.24Å; F233-S237 WeakPolarHBondContact CA-O 3.21Å; F233-R238 HydrophobicContact CD1-CB 3.92Å; F233-R238 HydrophobicContact CE1-CB 3.72Å; F233-R238 HydrophobicContact CE1-CG 4.47Å; F233-R238 HydrophobicContact CZ-CB 4.33Å |
| 234 | E | 89.4 | Confident | 89.2 | Confident | 105 Ų | 105 | 46.8 Ų | 46.8 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.3 | 163.4 | 179.9 | 167.3 | -150.1 | 0 | 0 | 107.7 | F236 S237 M239 | E234-F236 PolarHBondContact O-N 3.24Å; E234-S237 PolarHBondContact N-O 2.99Å; E234-S237 PolarHBondContact O-N 2.93Å; E234-M239 HydrophobicContact CB-CE 4.42Å; E234-M239 HydrophobicContact CB-CG 3.62Å; E234-M239 HydrophobicContact CB-SD 3.85Å; E234-M239 VanDerWaalsContact OE2-CE 3.23Å; E234-M239 WeakPolarHBondContact OE2-CE 3.49Å |
| 235 | K | 84.5 | Confident | 88.8 | Confident | 134 Ų | 134 | 49.2 Ų | 49.2 | 58% | 0.583 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | -102.4 | -161.2 | -56.6 | 175.7 | -177.6 | 175.7 | 0 | 109.9 | N222 E440 | N222-K235 PolarHBondContact ND2-O 3.04Å; K235-E440 IonicContact NZ-OE1 3.22Å; K235-E440 PolarHBondContact NZ-OE1 3.05Å; K235-E440 IonicContact NZ-OE2 2.95Å; K235-E440 PolarHBondContact NZ-OE2 3.43Å |
| 236 | F | 83.5 | Confident | 88.3 | Confident | 81 Ų | 81 | 52 Ų | 52 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 18.9 | 176.6 | -55.7 | -70.6 | 0 | 0 | 0 | 113.7 | H128 L205 L210 E234 R443 | H128-F236 AromaticContact CD2-CG 3.98Å; H128-F236 AromaticContact CE1-CD1 3.86Å; H128-F236 AromaticContact CE1-CE1 3.43Å; H128-F236 VanDerWaalsContact CE1-CE1 3.43Å; H128-F236 WeakPolarHBondContact CE1-CE1 3.44Å; H128-F236 AromaticContact CE1-CZ 3.78Å; H128-F236 AromaticContact NE2-CD1 3.85Å; H128-F236 AromaticContact NE2-CE1 3.43Å; H128-F236 WeakPolarHBondContact NE2-CE1 3.4Å; H128-F236 AromaticContact NE2-CE2 3.67Å; H128-F236 AromaticContact NE2-CZ 3.33Å; H128-F236 VanDerWaalsContact NE2-CZ 3.33Å; H128-F236 WeakPolarHBondContact NE2-CZ 3.47Å; L205-F236 HydrophobicContact CD1-CD1 4.32Å; L210-F236 HydrophobicContact CD1-CD1 3.83Å; L210-F236 HydrophobicContact CD1-CE1 4.15Å; E234-F236 PolarHBondContact O-N 3.24Å; F236-R443 PolarHBondContact O-NH1 3.25Å |
| 237 | S | 83.4 | Confident | 88.3 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.2 | -178.9 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | F233 E234 M239 | F233-S237 CarbonylContact C-O 3.57Å; F233-S237 VanDerWaalsContact CA-O 3.24Å; F233-S237 WeakPolarHBondContact CA-O 3.21Å; E234-S237 PolarHBondContact N-O 2.99Å; E234-S237 PolarHBondContact O-N 2.93Å; S237-M239 PolarHBondContact O-N 3.24Å |
| 238 | R | 87.2 | Confident | 88.3 | Confident | 143 Ų | 143 | 55.5 Ų | 55.5 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 113.1 | -178.8 | -179.6 | -177.8 | 67.2 | 170.8 | -7.9 | 112 | E204 M231 I232 F233 T241 | E204-R238 WeakPolarHBondContact OE1-CB 3.47Å; E204-R238 PolarHBondContact OE1-N 3.06Å; M231-R238 VanDerWaalsContact CE-CD 3.41Å; M231-R238 HydrophobicContact CE-CG 4.21Å; I232-R238 CarbonylContact O-C 3.55Å; I232-R238 WeakPolarHBondContact O-CA 3.33Å; F233-R238 HydrophobicContact CD1-CB 3.92Å; F233-R238 HydrophobicContact CE1-CB 3.72Å; F233-R238 HydrophobicContact CE1-CG 4.47Å; F233-R238 HydrophobicContact CZ-CB 4.33Å; R238-T241 WeakPolarHBondContact CD-OG1 3.23Å |
| 239 | M | 86.1 | Confident | 88.5 | Confident | 115 Ų | 115 | 56.9 Ų | 56.9 | 57% | 0.567 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -41.9 | 178.4 | -59 | -58.4 | -82.5 | 0 | 0 | 112.6 | I232 E234 S237 | I232-M239 HydrophobicContact CG2-CB 4.36Å; I232-M239 PolarHBondContact O-N 3.48Å; E234-M239 HydrophobicContact CB-CE 4.42Å; E234-M239 HydrophobicContact CB-CG 3.62Å; E234-M239 HydrophobicContact CB-SD 3.85Å; E234-M239 VanDerWaalsContact OE2-CE 3.23Å; E234-M239 WeakPolarHBondContact OE2-CE 3.49Å; S237-M239 PolarHBondContact O-N 3.24Å |
| 240 | N | 86.5 | Confident | 88.6 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 34% | 0.342 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 166.1 | -175.6 | -165.9 | -1.6 | 0 | 0 | 0 | 111.4 | I232 | I232-N240 HydrophobicContact CD1-CB 3.92Å; I232-N240 PolarHBondContact N-O 3.41Å; I232-N240 PolarHBondContact O-N 3.3Å |
| 241 | T | 90 | Very high | 88.5 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 16% | 0.16 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 114.7 | 179.7 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | F228 I230 M231 R238 N243 | F228-T241 HydrophobicContact CD1-CG2 3.65Å; F228-T241 HydrophobicContact CE1-CG2 3.82Å; I230-T241 CarbonylContact O-C 3.56Å; I230-T241 WeakPolarHBondContact O-CA 3.47Å; M231-T241 HydrophobicContact CG-CG2 3.76Å; R238-T241 WeakPolarHBondContact CD-OG1 3.23Å; T241-N243 PolarHBondContact O-N 2.95Å |
| 242 | F | 90.7 | Very high | 88.5 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 104.1 | 173.1 | -52.1 | -57.1 | 0 | 0 | 0 | 109.7 | G229 I230 I232 I247 I259 L261 I273 F275 | G229-F242 VanDerWaalsContact CA-O 3.22Å; G229-F242 WeakPolarHBondContact CA-O 2.96Å; I230-F242 PolarHBondContact N-O 2.75Å; I230-F242 PolarHBondContact O-N 2.83Å; I232-F242 HydrophobicContact CD1-CD2 4.41Å; I232-F242 HydrophobicContact CD1-CE2 3.43Å; I232-F242 VanDerWaalsContact CD1-CE2 3.43Å; I232-F242 HydrophobicContact CD1-CZ 3.64Å; I232-F242 HydrophobicContact CG1-CE2 4.25Å; F242-I247 HydrophobicContact CB-CD1 3.95Å; F242-I247 HydrophobicContact CB-CG1 4.01Å; F242-I259 HydrophobicContact CD2-CD1 4.11Å; F242-I259 HydrophobicContact CE2-CD1 4.44Å; F242-L261 HydrophobicContact CD1-CD2 4.39Å; F242-I273 HydrophobicContact CD1-CD1 4.33Å; F242-I273 HydrophobicContact CE1-CD1 3.54Å; F242-I273 HydrophobicContact CE2-CD1 4.15Å; F242-I273 HydrophobicContact CZ-CD1 3.45Å; F242-I273 VanDerWaalsContact CZ-CD1 3.45Å; F242-I273 HydrophobicContact CZ-CG2 4.44Å; F242-F275 HydrophobicContact CE2-CE2 4.3Å; F242-F275 HydrophobicContact CE2-CZ 4.29Å |
| 243 | N | 90.1 | Very high | 88.5 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 144.3 | 176.1 | -173.7 | -41.9 | 0 | 0 | 0 | 110.8 | F228 T241 S245 M246 I247 | F228-N243 HydrophobicContact CD1-CB 4.24Å; F228-N243 HydrophobicContact CE1-CB 3.76Å; F228-N243 VanDerWaalsContact CE2-ND2 3.28Å; F228-N243 WeakPolarHBondContact CE2-ND2 3.26Å; F228-N243 HydrophobicContact CZ-CB 4.14Å; F228-N243 WeakPolarHBondContact CZ-ND2 3.42Å; F228-N243 WeakPolarHBondContact O-CA 3.34Å; F228-N243 PolarHBondContact O-OD1 3.4Å; T241-N243 PolarHBondContact O-N 2.95Å; N243-S245 PolarHBondContact O-N 2.67Å; N243-S245 PolarHBondContact OD1-N 3.17Å; N243-S245 PolarHBondContact OD1-OG 3.43Å; N243-S245 VanDerWaalsContact OD1-OG 3.04Å; N243-M246 HydrophobicContact CB-CG 4.22Å; N243-M246 HydrophobicContact CB-SD 4.1Å; N243-M246 PolarHBondContact O-N 2.84Å; N243-I247 PolarHBondContact O-N 3.38Å |
| 244 | W | 91.4 | Very high | 88.5 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -17 | 170.3 | -64.9 | 134 | 0 | 0 | 0 | 115.2 | V225 N226 H227 F228 I230 I247 L250 C290 Q293 H294 R298 | V225-W244 HydrophobicContact CG1-CH2 3.81Å; V225-W244 HydrophobicContact CG1-CZ2 3.64Å; N226-W244 PolarHBondContact O-NE1 3.12Å; N226-W244 VanDerWaalsContact O-NE1 3.11Å; H227-W244 VanDerWaalsContact O-CD1 3.26Å; H227-W244 PolarHBondContact O-NE1 3.21Å; F228-W244 VanDerWaalsContact O-CD1 3.25Å; F228-W244 PolarHBondContact O-N 3.29Å; I230-W244 HydrophobicContact CD1-CH2 4.38Å; I230-W244 HydrophobicContact CD1-CZ3 4.11Å; I230-W244 HydrophobicContact CG1-CH2 3.76Å; I230-W244 HydrophobicContact CG1-CZ3 3.79Å; W244-I247 HydrophobicContact CE3-CD1 3.93Å; W244-I247 HydrophobicContact CZ3-CD1 4.09Å; W244-L250 HydrophobicContact CZ3-CD1 4.2Å; W244-C290 HydrophobicContact CH2-CB 3.95Å; W244-C290 WeakPolarHBondContact CH2-O 3.2Å; W244-C290 HydrophobicContact CZ3-CB 4.34Å; W244-Q293 HydrophobicContact CZ2-CB 4.18Å; W244-H294 HydrophobicContact CD2-CB 4.18Å; W244-H294 AromaticContact CD2-CD2 3.59Å; W244-H294 HydrophobicContact CE3-CB 4.06Å; W244-H294 AromaticContact CE3-CD2 3.53Å; W244-H294 AromaticContact CG-CD2 3.69Å; W244-H294 HydrophobicContact CH2-CB 4.32Å; W244-H294 HydrophobicContact CZ2-CB 4.39Å; W244-H294 HydrophobicContact CZ3-CB 4.15Å; W244-H294 PolarHBondContact O-NE2 2.84Å; W244-R298 PolarHBondContact O-NH2 2.91Å |
| 245 | S | 84.1 | Confident | 88.6 | Confident | 50 Ų | 50 | 78 Ų | 78 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -28.6 | 172 | 64.1 | 0 | 0 | 0 | 0 | 114 | N243 | N243-S245 PolarHBondContact O-N 2.67Å; N243-S245 PolarHBondContact OD1-N 3.17Å; N243-S245 PolarHBondContact OD1-OG 3.43Å; N243-S245 VanDerWaalsContact OD1-OG 3.04Å |
| 246 | M | 84 | Confident | 89.1 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 30% | 0.3 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -26.4 | -178.7 | -64.7 | 169.8 | 170.1 | 0 | 0 | 112.5 | N243 R248 L261 H262 | N243-M246 HydrophobicContact CB-CG 4.22Å; N243-M246 HydrophobicContact CB-SD 4.1Å; N243-M246 PolarHBondContact O-N 2.84Å; M246-R248 PolarHBondContact O-N 2.8Å; M246-L261 HydrophobicContact CB-CD2 4.45Å; M246-L261 CarbonylContact O-C 3.56Å; M246-L261 WeakPolarHBondContact O-CA 3.19Å; M246-H262 PolarHBondContact O-N 2.95Å |
| 247 | I | 88.3 | Confident | 89.6 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 112.9 | -177 | -60.4 | 167 | 0 | 0 | 0 | 110.2 | I230 F242 N243 W244 L250 I259 L261 | I230-I247 HydrophobicContact CD1-CD1 3.96Å; I230-I247 HydrophobicContact CG1-CD1 4.13Å; F242-I247 HydrophobicContact CB-CD1 3.95Å; F242-I247 HydrophobicContact CB-CG1 4.01Å; N243-I247 PolarHBondContact O-N 3.38Å; W244-I247 HydrophobicContact CE3-CD1 3.93Å; W244-I247 HydrophobicContact CZ3-CD1 4.09Å; I247-L250 HydrophobicContact CG2-CD2 3.7Å; I247-L250 HydrophobicContact CG2-CG 3.82Å; I247-I259 HydrophobicContact CD1-CG2 4.38Å; I247-I259 HydrophobicContact CG1-CG2 3.93Å; I247-I259 HydrophobicContact CG2-CG2 4.05Å; I247-L261 HydrophobicContact CG1-CD2 4.31Å |
| 248 | R | 86.7 | Confident | 90.1 | Very high | 151 Ų | 151 | 71.6 Ų | 71.6 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -38.2 | 176.7 | -174.2 | 174.8 | 176.1 | 148.1 | 2.7 | 112.7 | M246 K260 L261 H262 | M246-R248 PolarHBondContact O-N 2.8Å; R248-K260 WeakPolarHBondContact CA-O 3.45Å; R248-K260 WeakPolarHBondContact CB-O 3.27Å; R248-K260 PolarHBondContact N-O 3.39Å; R248-L261 VanDerWaalsContact CB-O 3.3Å; R248-L261 WeakPolarHBondContact CB-O 3.43Å; R248-H262 VanDerWaalsContact CB-CD2 3.48Å; R248-H262 WeakPolarHBondContact CB-CD2 3.44Å |
| 249 | K | 90.4 | Very high | 90.4 | Very high | 127 Ų | 127 | 64.8 Ų | 64.8 | 55% | 0.552 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 139.3 | -179.9 | -175.5 | -174.5 | 175.9 | -170.1 | 0 | 110.9 | K260 | K249-K260 HydrophobicContact CB-CB 4.32Å; K249-K260 PolarHBondContact N-O 2.97Å; K249-K260 VanDerWaalsContact N-O 3.16Å; K249-K260 PolarHBondContact O-N 2.94Å |
| 250 | L | 93.4 | Very high | 90.5 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.2 | 164.4 | -64.4 | 176.4 | 0 | 0 | 0 | 110.4 | I230 W244 I247 I259 W287 C290 | I230-L250 HydrophobicContact CD1-CD1 4.13Å; I230-L250 HydrophobicContact CD1-CD2 3.75Å; W244-L250 HydrophobicContact CZ3-CD1 4.2Å; I247-L250 HydrophobicContact CG2-CD2 3.7Å; I247-L250 HydrophobicContact CG2-CG 3.82Å; L250-I259 HydrophobicContact CD2-CB 4.24Å; L250-I259 HydrophobicContact CD2-CD1 4.46Å; L250-I259 HydrophobicContact CD2-CG1 3.83Å; L250-I259 HydrophobicContact CD2-CG2 4.02Å; L250-W287 PolarHBondContact O-NE1 2.93Å; L250-C290 HydrophobicContact CD1-CB 3.55Å |
| 251 | S | 92 | Very high | 90.6 | Very high | 30 Ų | 30 | 59.6 Ų | 59.6 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 163.9 | 176.2 | 14.7 | 0 | 0 | 0 | 0 | 110.1 | L258 | S251-L258 PolarHBondContact N-O 3.08Å; S251-L258 PolarHBondContact O-N 3.07Å; S251-L258 PolarHBondContact OG-O 2.62Å |
| 252 | F | 92.7 | Very high | 90.1 | Very high | 58 Ų | 58 | 62 Ų | 62 | 25% | 0.254 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 147.1 | 168.7 | 73 | -76.7 | 0 | 0 | 0 | 110.4 | K256 K284 W287 | F252-K256 CarbonylContact C-O 3.54Å; F252-K256 WeakPolarHBondContact CA-O 3.46Å; F252-K256 WeakPolarHBondContact CB-O 3.13Å; F252-K284 HydrophobicContact CD2-CB 4.35Å; F252-K284 HydrophobicContact CE1-CG 4.39Å; F252-K284 HydrophobicContact CE2-CB 3.83Å; F252-K284 HydrophobicContact CE2-CD 4.33Å; F252-K284 HydrophobicContact CE2-CG 4.03Å; F252-K284 HydrophobicContact CZ-CB 4.02Å; F252-K284 HydrophobicContact CZ-CD 4.17Å; F252-K284 HydrophobicContact CZ-CG 3.73Å; F252-W287 HydrophobicContact CD1-CB 4.12Å; F252-W287 AromaticContact CD1-CD2 3.59Å; F252-W287 HydrophobicContact CD1-CD2 3.59Å; F252-W287 AromaticContact CD1-CE2 3.96Å; F252-W287 AromaticContact CD1-CE3 3.95Å; F252-W287 HydrophobicContact CD1-CE3 3.95Å; F252-W287 AromaticContact CD1-CG 3.68Å; F252-W287 HydrophobicContact CD1-CG 3.68Å; F252-W287 AromaticContact CE1-CD2 3.8Å; F252-W287 HydrophobicContact CE1-CD2 3.8Å; F252-W287 AromaticContact CE1-CE3 3.66Å; F252-W287 HydrophobicContact CE1-CE3 3.66Å; F252-W287 HydrophobicContact CE1-CG 4.32Å; F252-W287 HydrophobicContact CE1-CH2 4.4Å; F252-W287 AromaticContact CE1-CZ3 3.99Å; F252-W287 HydrophobicContact CE1-CZ3 3.99Å; F252-W287 HydrophobicContact CG-CG 4.49Å |
| 253 | K | 91.9 | Very high | 89.1 | Confident | 135 Ų | 135 | 66.8 Ų | 66.8 | 59% | 0.587 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 119.9 | 175.2 | -172.4 | -179.8 | -177.7 | -177.4 | 0 | 108.8 | R255 K256 L258 | K253-R255 PolarHBondContact O-N 3.01Å; K253-K256 PolarHBondContact N-O 3.02Å; K253-K256 WeakPolarHBondContact O-CB 3.24Å; K253-K256 PolarHBondContact O-N 3.33Å; K253-L258 HydrophobicContact CB-CD1 4.47Å |
| 254 | R | 92.1 | Very high | 87.7 | Confident | 188 Ų | 188 | 73.3 Ų | 73.3 | 71% | 0.709 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | -108.2 | -172.8 | -60.8 | -178.9 | -178.8 | 162.1 | 2.4 | 111.1 | ||
| 255 | R | 92.6 | Very high | 85.8 | Confident | 132 Ų | 132 | 74.8 Ų | 74.8 | 50% | 0.498 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -0.1 | 178.6 | -71.5 | 170.6 | 58.9 | 171.8 | -1.3 | 114.5 | K253 F277 S278 | K253-R255 PolarHBondContact O-N 3.01Å; R255-F277 VanDerWaalsContact CZ-O 3.29Å; R255-F277 PolarHBondContact NE-O 3.31Å; R255-F277 PolarHBondContact NH2-O 3.03Å; R255-F277 PolarHBondContact O-N 3.47Å; R255-S278 PolarHBondContact NE-O 3.49Å; R255-S278 PolarHBondContact NH2-O 3.36Å; R255-S278 VanDerWaalsContact NH2-O 3.11Å |
| 256 | K | 93.3 | Very high | 84 | Confident | 95 Ų | 95 | 78 Ų | 78 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.2 | -172.9 | -67.9 | 166.3 | 168.2 | -115.5 | 0 | 111.3 | F252 K253 E274 F275 | F252-K256 CarbonylContact C-O 3.54Å; F252-K256 WeakPolarHBondContact CA-O 3.46Å; F252-K256 WeakPolarHBondContact CB-O 3.13Å; K253-K256 PolarHBondContact N-O 3.02Å; K253-K256 WeakPolarHBondContact O-CB 3.24Å; K253-K256 PolarHBondContact O-N 3.33Å; K256-E274 HydrophobicContact CB-CG 4.06Å; K256-E274 VanDerWaalsContact CD-OE1 3.28Å; K256-E274 WeakPolarHBondContact CD-OE1 3.14Å; K256-E274 VanDerWaalsContact CE-OE1 3.26Å; K256-E274 WeakPolarHBondContact CE-OE1 3.48Å; K256-E274 HydrophobicContact CG-CG 4.29Å; K256-E274 WeakPolarHBondContact CG-OE1 3.34Å; K256-E274 IonicContact NZ-OE1 2.79Å; K256-E274 PolarHBondContact NZ-OE1 2.77Å; K256-E274 IonicContact NZ-OE2 3.38Å; K256-E274 PolarHBondContact NZ-OE2 2.66Å; K256-F275 CarbonylContact C-O 3.53Å; K256-F275 WeakPolarHBondContact CA-O 3.35Å |
| 257 | L | 95.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 132.7 | 168.1 | -178.9 | 75.4 | 0 | 0 | 0 | 109.1 | L223 I259 E274 F275 F277 F286 W287 | L223-L257 HydrophobicContact CD1-CD2 4.33Å; L257-I259 HydrophobicContact CD2-CD1 4.41Å; L257-I259 HydrophobicContact CD2-CG1 4.39Å; L257-I259 HydrophobicContact CG-CG1 4.45Å; L257-E274 VanDerWaalsContact O-CA 3.32Å; L257-E274 WeakPolarHBondContact O-CA 3.43Å; L257-F275 PolarHBondContact N-O 3.25Å; L257-F275 PolarHBondContact O-N 2.85Å; L257-F277 HydrophobicContact CB-CD2 4.44Å; L257-F277 HydrophobicContact CB-CE2 3.83Å; L257-F277 HydrophobicContact CD2-CE2 4.22Å; L257-F286 HydrophobicContact CD2-CD1 3.75Å; L257-F286 HydrophobicContact CD2-CE1 3.74Å; L257-W287 HydrophobicContact CD1-CB 4.05Å |
| 258 | L | 92.9 | Very high | 79.9 | Confident | 40 Ų | 40 | 90.1 Ų | 90.1 | 21% | 0.209 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 109.8 | -175.4 | -67.5 | 167 | 0 | 0 | 0 | 110.1 | S251 K253 I272 E274 | S251-L258 PolarHBondContact N-O 3.08Å; S251-L258 PolarHBondContact O-N 3.07Å; S251-L258 PolarHBondContact OG-O 2.62Å; K253-L258 HydrophobicContact CB-CD1 4.47Å; L258-I272 HydrophobicContact CB-CG2 4.48Å; L258-I272 HydrophobicContact CD2-CG2 3.95Å; L258-E274 HydrophobicContact CD2-CB 3.98Å; L258-E274 HydrophobicContact CD2-CG 3.72Å |
| 259 | I | 93.2 | Very high | 78.2 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 108.6 | 177.7 | -51.4 | -176.4 | 0 | 0 | 0 | 107.9 | I230 F242 I247 L250 L257 L261 I272 I273 F275 | I230-I259 HydrophobicContact CD1-CD1 3.95Å; I230-I259 HydrophobicContact CG2-CD1 4.36Å; F242-I259 HydrophobicContact CD2-CD1 4.11Å; F242-I259 HydrophobicContact CE2-CD1 4.44Å; I247-I259 HydrophobicContact CD1-CG2 4.38Å; I247-I259 HydrophobicContact CG1-CG2 3.93Å; I247-I259 HydrophobicContact CG2-CG2 4.05Å; L250-I259 HydrophobicContact CD2-CB 4.24Å; L250-I259 HydrophobicContact CD2-CD1 4.46Å; L250-I259 HydrophobicContact CD2-CG1 3.83Å; L250-I259 HydrophobicContact CD2-CG2 4.02Å; L257-I259 HydrophobicContact CD2-CD1 4.41Å; L257-I259 HydrophobicContact CD2-CG1 4.39Å; L257-I259 HydrophobicContact CG-CG1 4.45Å; I259-L261 HydrophobicContact CG2-CD2 4.12Å; I259-I272 WeakPolarHBondContact O-CA 3.29Å; I259-I273 PolarHBondContact N-O 3.07Å; I259-I273 PolarHBondContact O-N 2.91Å; I259-F275 HydrophobicContact CD1-CD2 4.26Å; I259-F275 HydrophobicContact CD1-CE2 3.96Å |
| 260 | K | 88.7 | Confident | 76.8 | Confident | 62 Ų | 62 | 87 Ų | 87 | 27% | 0.27 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127 | 171.6 | -178.7 | 159 | -174.7 | 113.5 | 0 | 109.9 | R248 K249 D271 I272 | R248-K260 WeakPolarHBondContact CA-O 3.45Å; R248-K260 WeakPolarHBondContact CB-O 3.27Å; R248-K260 PolarHBondContact N-O 3.39Å; K249-K260 HydrophobicContact CB-CB 4.32Å; K249-K260 PolarHBondContact N-O 2.97Å; K249-K260 VanDerWaalsContact N-O 3.16Å; K249-K260 PolarHBondContact O-N 2.94Å; K260-D271 WeakPolarHBondContact CA-O 3.36Å; K260-D271 WeakPolarHBondContact CE-OD2 3.3Å; K260-D271 WeakPolarHBondContact CG-O 3.27Å; K260-D271 IonicContact NZ-OD2 2.76Å; K260-D271 PolarHBondContact NZ-OD2 3.14Å; K260-I272 HydrophobicContact CB-CG1 4.23Å; K260-I272 HydrophobicContact CD-CD1 4.46Å; K260-I272 HydrophobicContact CD-CG1 4.12Å; K260-I272 HydrophobicContact CG-CG1 4.16Å |
| 261 | L | 88.2 | Confident | 76.2 | Confident | 8 Ų | 8 | 87.8 Ų | 87.8 | 4% | 0.042 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 176.7 | 179.3 | -62.1 | -173.2 | 0 | 0 | 0 | 112.3 | F242 M246 I247 R248 I259 Y266 D271 I273 | F242-L261 HydrophobicContact CD1-CD2 4.39Å; M246-L261 HydrophobicContact CB-CD2 4.45Å; M246-L261 CarbonylContact O-C 3.56Å; M246-L261 WeakPolarHBondContact O-CA 3.19Å; I247-L261 HydrophobicContact CG1-CD2 4.31Å; R248-L261 VanDerWaalsContact CB-O 3.3Å; R248-L261 WeakPolarHBondContact CB-O 3.43Å; I259-L261 HydrophobicContact CG2-CD2 4.12Å; L261-Y266 HydrophobicContact CD1-CD2 3.81Å; L261-Y266 HydrophobicContact CD1-CE2 3.86Å; L261-D271 PolarHBondContact N-O 2.92Å; L261-I273 HydrophobicContact CD1-CD1 3.73Å; L261-I273 HydrophobicContact CG-CD1 4.16Å |
| 262 | H | 79.7 | Confident | 75.9 | Confident | 76 Ų | 76 | 90.2 Ų | 90.2 | 35% | 0.352 | 44% | 0.441 | S | S | . | . | trans | -87.6 | 123.1 | 163.7 | -81.6 | -101.7 | 0 | 0 | 0 | 110.1 | M246 R248 E264 A265 | M246-H262 PolarHBondContact O-N 2.95Å; R248-H262 VanDerWaalsContact CB-CD2 3.48Å; R248-H262 WeakPolarHBondContact CB-CD2 3.44Å; H262-E264 PolarHBondContact O-N 3.5Å; H262-A265 WeakPolarHBondContact O-CB 3.3Å; H262-A265 PolarHBondContact O-N 3.33Å | ||
| 263 | I | 69.9 | Low | 75.7 | Confident | 108 Ų | 108 | 89.1 Ų | 89.1 | 55% | 0.554 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -47.8 | -36.9 | -179.6 | -60.3 | 161.2 | 0 | 0 | 0 | 112.9 | A265 Y266 D271 | I263-A265 PolarHBondContact O-N 2.98Å; I263-A265 VanDerWaalsContact O-N 3.15Å; I263-Y266 PolarHBondContact O-N 3.35Å; I263-Y266 VanDerWaalsContact O-O 3.13Å; I263-D271 WeakPolarHBondContact CG1-OD1 3.09Å |
| 264 | E | 61.8 | Low | 75.6 | Confident | 161 Ų | 161 | 85 Ų | 85 | 75% | 0.752 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -66.6 | -13.1 | -178.4 | -60.3 | -178.6 | 147 | 0 | 0 | 114 | H262 | H262-E264 PolarHBondContact O-N 3.5Š|
| 265 | A | 50.2 | Low | 75.8 | Confident | 46 Ų | 46 | 76.4 Ų | 76.4 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -87.2 | -22.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H262 I263 | H262-A265 WeakPolarHBondContact O-CB 3.3Å; H262-A265 PolarHBondContact O-N 3.33Å; I263-A265 PolarHBondContact O-N 2.98Å; I263-A265 VanDerWaalsContact O-N 3.15Å |
| 266 | Y | 47.6 | Very low | 75.8 | Confident | 119 Ų | 119 | 71.2 Ų | 71.2 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | trans | -140.7 | 114.6 | -178.9 | -76.9 | -90 | 0 | 0 | 0 | 110.3 | L261 I263 | L261-Y266 HydrophobicContact CD1-CD2 3.81Å; L261-Y266 HydrophobicContact CD1-CE2 3.86Å; I263-Y266 PolarHBondContact O-N 3.35Å; I263-Y266 VanDerWaalsContact O-O 3.13Å | ||
| 267 | S | 42.9 | Very low | 75.8 | Confident | 115 Ų | 115 | 67 Ų | 67 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -80.5 | -14 | -172.9 | 49 | 0 | 0 | 0 | 0 | 115.1 | ||
| 268 | Y | 41.7 | Very low | 75.5 | Confident | 213 Ų | 213 | 70.4 Ų | 70.4 | 84% | 0.835 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -145.2 | 130.8 | 173.9 | -66.6 | -87.7 | 0 | 0 | 0 | 109.2 | ||
| 269 | G | 52.6 | Low | 75.3 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 71% | 0.711 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 125.7 | 169.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D271 | G269-D271 PolarHBondContact O-N 2.86Š|
| 270 | N | 60.7 | Low | 75.1 | Confident | 143 Ų | 143 | 78 Ų | 78 | 77% | 0.765 | 41% | 0.408 | S | S | * | . | trans | -69.6 | 126.9 | -173.1 | -71.8 | -20.2 | 0 | 0 | 0 | 112.5 | I272 | N270-I272 PolarHBondContact O-N 3.48Š| ||
| 271 | D | 80.2 | Confident | 75 | Confident | 46 Ų | 46 | 77.2 Ų | 77.2 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -61.1 | -12.1 | 178.9 | -141.9 | 26.8 | 0 | 0 | 0 | 113.7 | K260 L261 I263 G269 | K260-D271 WeakPolarHBondContact CA-O 3.36Å; K260-D271 WeakPolarHBondContact CE-OD2 3.3Å; K260-D271 WeakPolarHBondContact CG-O 3.27Å; K260-D271 IonicContact NZ-OD2 2.76Å; K260-D271 PolarHBondContact NZ-OD2 3.14Å; L261-D271 PolarHBondContact N-O 2.92Å; I263-D271 WeakPolarHBondContact CG1-OD1 3.09Å; G269-D271 PolarHBondContact O-N 2.86Å |
| 272 | I | 85.2 | Confident | 75.1 | Confident | 81 Ų | 81 | 77.1 Ų | 77.1 | 42% | 0.415 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.8 | -174.2 | -55.7 | 176 | 0 | 0 | 0 | 108.9 | L258 I259 K260 N270 | L258-I272 HydrophobicContact CB-CG2 4.48Å; L258-I272 HydrophobicContact CD2-CG2 3.95Å; I259-I272 WeakPolarHBondContact O-CA 3.29Å; K260-I272 HydrophobicContact CB-CG1 4.23Å; K260-I272 HydrophobicContact CD-CD1 4.46Å; K260-I272 HydrophobicContact CD-CG1 4.12Å; K260-I272 HydrophobicContact CG-CG1 4.16Å; N270-I272 PolarHBondContact O-N 3.48Å |
| 273 | I | 88.6 | Confident | 75.7 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.9 | 175.7 | -58.9 | 165.4 | 0 | 0 | 0 | 107.9 | F242 I259 L261 F275 | F242-I273 HydrophobicContact CD1-CD1 4.33Å; F242-I273 HydrophobicContact CE1-CD1 3.54Å; F242-I273 HydrophobicContact CE2-CD1 4.15Å; F242-I273 HydrophobicContact CZ-CD1 3.45Å; F242-I273 VanDerWaalsContact CZ-CD1 3.45Å; F242-I273 HydrophobicContact CZ-CG2 4.44Å; I259-I273 PolarHBondContact N-O 3.07Å; I259-I273 PolarHBondContact O-N 2.91Å; L261-I273 HydrophobicContact CD1-CD1 3.73Å; L261-I273 HydrophobicContact CG-CD1 4.16Å; I273-F275 HydrophobicContact CG2-CD2 4.41Å; I273-F275 HydrophobicContact CG2-CE2 3.51Å; I273-F275 HydrophobicContact CG2-CZ 3.63Å |
| 274 | E | 91.5 | Very high | 76.7 | Confident | 48 Ų | 48 | 72 Ų | 72 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.7 | -177.6 | -166.7 | -175.1 | 102.8 | 0 | 0 | 111.8 | I216 K256 L257 L258 | I216-E274 HydrophobicContact CD1-CB 4.47Å; I216-E274 HydrophobicContact CG1-CB 4.14Å; K256-E274 HydrophobicContact CB-CG 4.06Å; K256-E274 VanDerWaalsContact CD-OE1 3.28Å; K256-E274 WeakPolarHBondContact CD-OE1 3.14Å; K256-E274 VanDerWaalsContact CE-OE1 3.26Å; K256-E274 WeakPolarHBondContact CE-OE1 3.48Å; K256-E274 HydrophobicContact CG-CG 4.29Å; K256-E274 WeakPolarHBondContact CG-OE1 3.34Å; K256-E274 IonicContact NZ-OE1 2.79Å; K256-E274 PolarHBondContact NZ-OE1 2.77Å; K256-E274 IonicContact NZ-OE2 3.38Å; K256-E274 PolarHBondContact NZ-OE2 2.66Å; L257-E274 VanDerWaalsContact O-CA 3.32Å; L257-E274 WeakPolarHBondContact O-CA 3.43Å; L258-E274 HydrophobicContact CD2-CB 3.98Å; L258-E274 HydrophobicContact CD2-CG 3.72Å |
| 275 | F | 94.6 | Very high | 78 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.035 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.3 | 167.7 | -60.5 | -80.2 | 0 | 0 | 0 | 110.4 | A213 K214 N215 V221 L223 I232 F242 K256 L257 I259 I273 | A213-F275 HydrophobicContact CB-CB 4.43Å; K214-F275 CarbonylContact O-C 3.56Å; K214-F275 WeakPolarHBondContact O-CA 3.46Å; N215-F275 HydrophobicContact CB-CE1 4.44Å; V221-F275 HydrophobicContact CG2-CD1 3.98Å; V221-F275 HydrophobicContact CG2-CE1 4.22Å; L223-F275 HydrophobicContact CD1-CB 3.86Å; L223-F275 HydrophobicContact CD1-CD1 4.27Å; L223-F275 HydrophobicContact CD1-CD2 4.13Å; L223-F275 HydrophobicContact CD1-CG 3.81Å; L223-F275 HydrophobicContact CD2-CD1 4.14Å; L223-F275 HydrophobicContact CD2-CD2 4.44Å; L223-F275 HydrophobicContact CD2-CE1 4.16Å; L223-F275 HydrophobicContact CD2-CE2 4.46Å; L223-F275 HydrophobicContact CD2-CG 4.31Å; L223-F275 HydrophobicContact CD2-CZ 4.35Å; I232-F275 HydrophobicContact CD1-CE1 4.39Å; I232-F275 HydrophobicContact CD1-CZ 3.83Å; I232-F275 HydrophobicContact CG1-CE1 4.37Å; I232-F275 HydrophobicContact CG1-CZ 4.04Å; F242-F275 HydrophobicContact CE2-CE2 4.3Å; F242-F275 HydrophobicContact CE2-CZ 4.29Å; K256-F275 CarbonylContact C-O 3.53Å; K256-F275 WeakPolarHBondContact CA-O 3.35Å; L257-F275 PolarHBondContact N-O 3.25Å; L257-F275 PolarHBondContact O-N 2.85Å; I259-F275 HydrophobicContact CD1-CD2 4.26Å; I259-F275 HydrophobicContact CD1-CE2 3.96Å; I273-F275 HydrophobicContact CG2-CD2 4.41Å; I273-F275 HydrophobicContact CG2-CE2 3.51Å; I273-F275 HydrophobicContact CG2-CZ 3.63Å |
| 276 | S | 93.5 | Very high | 80 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 145 | 175.7 | 74.4 | 0 | 0 | 0 | 0 | 111.9 | A213 K214 | A213-S276 CarbonylContact C-O 3.58Å; A213-S276 WeakPolarHBondContact CA-O 3.3Å; A213-S276 WeakPolarHBondContact CB-O 3.33Å; K214-S276 PolarHBondContact N-O 3.28Å; K214-S276 PolarHBondContact O-N 2.82Å |
| 277 | F | 94 | Very high | 82.2 | Confident | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.022 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 166.6 | -178.7 | -77 | -101.2 | 0 | 0 | 0 | 112.1 | H211 A212 A213 L223 R255 L257 C283 F286 | H211-F277 HydrophobicContact CB-CE1 4.23Å; A212-F277 WeakPolarHBondContact O-CD1 3.19Å; A213-F277 HydrophobicContact CB-CD1 4.37Å; A213-F277 HydrophobicContact CB-CD2 4.41Å; A213-F277 HydrophobicContact CB-CE1 4.25Å; A213-F277 HydrophobicContact CB-CE2 4.26Å; A213-F277 HydrophobicContact CB-CG 4.47Å; A213-F277 HydrophobicContact CB-CZ 4.19Å; L223-F277 HydrophobicContact CD1-CE2 4.12Å; L223-F277 HydrophobicContact CD1-CZ 3.8Å; R255-F277 VanDerWaalsContact CZ-O 3.29Å; R255-F277 PolarHBondContact NE-O 3.31Å; R255-F277 PolarHBondContact NH2-O 3.03Å; R255-F277 PolarHBondContact O-N 3.47Å; L257-F277 HydrophobicContact CB-CD2 4.44Å; L257-F277 HydrophobicContact CB-CE2 3.83Å; L257-F277 HydrophobicContact CD2-CE2 4.22Å; F277-C283 HydrophobicContact CB-CB 3.89Å; F277-C283 HydrophobicContact CD2-CB 3.69Å; F277-C283 HydrophobicContact CE2-CB 4.37Å; F277-C283 HydrophobicContact CG-CB 3.8Å; F277-F286 HydrophobicContact CE1-CB 4.01Å; F277-F286 HydrophobicContact CE1-CG 4.17Å; F277-F286 HydrophobicContact CZ-CB 3.85Å; F277-F286 AromaticContact CZ-CD1 3.85Å; F277-F286 HydrophobicContact CZ-CD1 3.85Å; F277-F286 HydrophobicContact CZ-CD2 4.35Å; F277-F286 AromaticContact CZ-CG 3.75Å; F277-F286 HydrophobicContact CZ-CG 3.75Å |
| 278 | S | 88.8 | Confident | 84.5 | Confident | 73 Ų | 73 | 59 Ų | 59 | 51% | 0.51 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -56.3 | -50.6 | 170 | 49 | 0 | 0 | 0 | 0 | 112.5 | R255 | R255-S278 PolarHBondContact NE-O 3.49Å; R255-S278 PolarHBondContact NH2-O 3.36Å; R255-S278 VanDerWaalsContact NH2-O 3.11Å |
| 279 | T | 87.6 | Confident | 86.9 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 23% | 0.233 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -128.3 | 166.5 | -179 | 88.3 | 0 | 0 | 0 | 0 | 112.7 | E65 N281 S282 C283 | E65-T279 VanDerWaalsContact OE2-CB 3.3Å; E65-T279 WeakPolarHBondContact OE2-CB 3.03Å; E65-T279 VanDerWaalsContact OE2-CG2 3.25Å; E65-T279 WeakPolarHBondContact OE2-CG2 2.94Å; E65-T279 PolarHBondContact OE2-OG1 2.89Å; T279-N281 VanDerWaalsContact C-N 3.26Å; T279-N281 PolarHBondContact OG1-N 3.49Å; T279-S282 PolarHBondContact OG1-N 2.61Å; T279-S282 PolarHBondContact OG1-OG 3.11Å; T279-S282 VanDerWaalsContact OG1-OG 3.13Å; T279-C283 PolarHBondContact O-N 3.24Å |
| 280 | R | 89.3 | Confident | 88.8 | Confident | 160 Ų | 160 | 47.1 Ų | 47.1 | 60% | 0.604 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.4 | -32.8 | 170 | 178.8 | -179.6 | -175.6 | -165.2 | 3.9 | 111.2 | K284 | R280-K284 WeakPolarHBondContact O-CB 3.16Å; R280-K284 PolarHBondContact O-N 2.98Å; R280-K284 VanDerWaalsContact O-N 3.1Å |
| 281 | N | 87.4 | Confident | 90.3 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -79.6 | -43.9 | -175.7 | -67.4 | -41.9 | 0 | 0 | 0 | 111.3 | E65 T279 C283 K284 N285 | E65-N281 WeakPolarHBondContact OE1-CB 3.46Å; E65-N281 PolarHBondContact OE1-ND2 3.3Å; T279-N281 VanDerWaalsContact C-N 3.26Å; T279-N281 PolarHBondContact OG1-N 3.49Å; N281-C283 VanDerWaalsContact C-N 3.32Å; N281-C283 PolarHBondContact O-N 2.83Å; N281-K284 CarbonylContact O-C 3.59Å; N281-K284 PolarHBondContact O-N 3.39Å; N281-K284 VanDerWaalsContact O-N 3.11Å; N281-N285 VanDerWaalsContact O-CB 3.27Å; N281-N285 WeakPolarHBondContact O-CB 3.47Å; N281-N285 PolarHBondContact O-N 3.2Å; N281-N285 PolarHBondContact O-ND2 3.49Å |
| 282 | S | 89.1 | Confident | 90.8 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54 | -47.5 | 171.5 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | N67 T279 K284 N285 F286 | N67-S282 WeakPolarHBondContact OD1-CB 3.27Å; N67-S282 PolarHBondContact OD1-OG 2.99Å; T279-S282 PolarHBondContact OG1-N 2.61Å; T279-S282 PolarHBondContact OG1-OG 3.11Å; T279-S282 VanDerWaalsContact OG1-OG 3.13Å; S282-K284 PolarHBondContact O-N 3.42Å; S282-N285 PolarHBondContact O-N 3.35Å; S282-F286 WeakPolarHBondContact O-CB 3.46Å; S282-F286 PolarHBondContact O-N 3.35Å |
| 283 | C | 92 | Very high | 91 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | F277 T279 N281 W287 | F277-C283 HydrophobicContact CB-CB 3.89Å; F277-C283 HydrophobicContact CD2-CB 3.69Å; F277-C283 HydrophobicContact CE2-CB 4.37Å; F277-C283 HydrophobicContact CG-CB 3.8Å; T279-C283 PolarHBondContact O-N 3.24Å; N281-C283 VanDerWaalsContact C-N 3.32Å; N281-C283 PolarHBondContact O-N 2.83Å; C283-W287 WeakPolarHBondContact O-CB 3.5Å; C283-W287 PolarHBondContact O-N 3.44Å |
| 284 | K | 90.8 | Very high | 91 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 34% | 0.335 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.7 | -38 | 179.8 | 177.3 | -179.2 | 178 | -173.4 | 0 | 111.9 | F252 R280 N281 S282 W287 K288 | F252-K284 HydrophobicContact CD2-CB 4.35Å; F252-K284 HydrophobicContact CE1-CG 4.39Å; F252-K284 HydrophobicContact CE2-CB 3.83Å; F252-K284 HydrophobicContact CE2-CD 4.33Å; F252-K284 HydrophobicContact CE2-CG 4.03Å; F252-K284 HydrophobicContact CZ-CB 4.02Å; F252-K284 HydrophobicContact CZ-CD 4.17Å; F252-K284 HydrophobicContact CZ-CG 3.73Å; R280-K284 WeakPolarHBondContact O-CB 3.16Å; R280-K284 PolarHBondContact O-N 2.98Å; R280-K284 VanDerWaalsContact O-N 3.1Å; N281-K284 CarbonylContact O-C 3.59Å; N281-K284 PolarHBondContact O-N 3.39Å; N281-K284 VanDerWaalsContact O-N 3.11Å; S282-K284 PolarHBondContact O-N 3.42Å; K284-W287 PolarHBondContact O-N 2.86Å; K284-K288 WeakPolarHBondContact O-CG 3.42Å; K284-K288 PolarHBondContact O-N 3.47Å |
| 285 | N | 89.6 | Confident | 90.8 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.4 | -40.6 | 177.5 | -69.3 | -22.4 | 0 | 0 | 0 | 110.8 | D63 C69 N281 S282 K288 K289 | D63-N285 PolarHBondContact OD2-ND2 3.33Å; C69-N285 PolarHBondContact SG-ND2 2.96Å; N281-N285 VanDerWaalsContact O-CB 3.27Å; N281-N285 WeakPolarHBondContact O-CB 3.47Å; N281-N285 PolarHBondContact O-N 3.2Å; N281-N285 PolarHBondContact O-ND2 3.49Å; S282-N285 PolarHBondContact O-N 3.35Å; N285-K288 PolarHBondContact O-N 3.14Å; N285-K288 PolarHBondContact OD1-NZ 2.86Å; N285-K289 WeakPolarHBondContact O-CB 3.16Å; N285-K289 PolarHBondContact O-N 2.87Å |
| 286 | F | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 170.3 | -170.6 | -93.8 | 0 | 0 | 0 | 112 | H211 L223 V225 I230 L257 F277 S282 K288 K289 C290 | H211-F286 HydrophobicContact CB-CD2 3.78Å; H211-F286 HydrophobicContact CB-CE2 4.12Å; H211-F286 AromaticContact CD2-CD2 3.59Å; H211-F286 AromaticContact CD2-CE2 3.79Å; H211-F286 AromaticContact CG-CD2 3.6Å; L223-F286 HydrophobicContact CB-CE1 4.24Å; L223-F286 HydrophobicContact CB-CE2 3.77Å; L223-F286 HydrophobicContact CB-CZ 3.53Å; L223-F286 HydrophobicContact CD1-CE1 4.28Å; L223-F286 HydrophobicContact CD1-CZ 4.39Å; V225-F286 HydrophobicContact CG2-CD2 4.39Å; V225-F286 HydrophobicContact CG2-CE1 4.18Å; V225-F286 HydrophobicContact CG2-CE2 3.59Å; V225-F286 HydrophobicContact CG2-CZ 3.45Å; V225-F286 VanDerWaalsContact CG2-CZ 3.45Å; I230-F286 HydrophobicContact CG2-CE1 4.4Å; I230-F286 HydrophobicContact CG2-CZ 4.26Å; L257-F286 HydrophobicContact CD2-CD1 3.75Å; L257-F286 HydrophobicContact CD2-CE1 3.74Å; F277-F286 HydrophobicContact CE1-CB 4.01Å; F277-F286 HydrophobicContact CE1-CG 4.17Å; F277-F286 HydrophobicContact CZ-CB 3.85Å; F277-F286 AromaticContact CZ-CD1 3.85Å; F277-F286 HydrophobicContact CZ-CD1 3.85Å; F277-F286 HydrophobicContact CZ-CD2 4.35Å; F277-F286 AromaticContact CZ-CG 3.75Å; F277-F286 HydrophobicContact CZ-CG 3.75Å; S282-F286 WeakPolarHBondContact O-CB 3.46Å; S282-F286 PolarHBondContact O-N 3.35Å; F286-K288 PolarHBondContact O-N 3.33Å; F286-K289 WeakPolarHBondContact O-CB 3.26Å; F286-K289 PolarHBondContact O-N 3.33Å; F286-K289 VanDerWaalsContact O-N 3.09Å; F286-C290 WeakPolarHBondContact CE1-SG 3.09Å; F286-C290 PolarHBondContact O-N 3.01Å; F286-C290 PolarHBondContact O-SG 2.85Å |
| 287 | W | 94.1 | Very high | 89.8 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 27% | 0.265 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 177.3 | 174.2 | 86.6 | 0 | 0 | 0 | 113.1 | L250 F252 L257 C283 K284 C290 I291 | L250-W287 PolarHBondContact O-NE1 2.93Å; F252-W287 HydrophobicContact CD1-CB 4.12Å; F252-W287 AromaticContact CD1-CD2 3.59Å; F252-W287 HydrophobicContact CD1-CD2 3.59Å; F252-W287 AromaticContact CD1-CE2 3.96Å; F252-W287 AromaticContact CD1-CE3 3.95Å; F252-W287 HydrophobicContact CD1-CE3 3.95Å; F252-W287 AromaticContact CD1-CG 3.68Å; F252-W287 HydrophobicContact CD1-CG 3.68Å; F252-W287 AromaticContact CE1-CD2 3.8Å; F252-W287 HydrophobicContact CE1-CD2 3.8Å; F252-W287 AromaticContact CE1-CE3 3.66Å; F252-W287 HydrophobicContact CE1-CE3 3.66Å; F252-W287 HydrophobicContact CE1-CG 4.32Å; F252-W287 HydrophobicContact CE1-CH2 4.4Å; F252-W287 AromaticContact CE1-CZ3 3.99Å; F252-W287 HydrophobicContact CE1-CZ3 3.99Å; F252-W287 HydrophobicContact CG-CG 4.49Å; L257-W287 HydrophobicContact CD1-CB 4.05Å; C283-W287 WeakPolarHBondContact O-CB 3.5Å; C283-W287 PolarHBondContact O-N 3.44Å; K284-W287 PolarHBondContact O-N 2.86Å; W287-C290 PolarHBondContact O-N 2.85Å; W287-I291 HydrophobicContact CD2-CD1 3.87Å; W287-I291 HydrophobicContact CE3-CD1 4.21Å; W287-I291 HydrophobicContact CH2-CD1 3.72Å; W287-I291 HydrophobicContact CZ2-CD1 3.33Å; W287-I291 HydrophobicContact CZ3-CD1 4.13Å; W287-I291 PolarHBondContact O-N 2.99Å |
| 288 | K | 91.2 | Very high | 88.9 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 32% | 0.317 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58 | -51.3 | 170.1 | -69.5 | 172.8 | -161.2 | 159.5 | 0 | 111 | K284 N285 F286 C290 I291 E292 | K284-K288 WeakPolarHBondContact O-CG 3.42Å; K284-K288 PolarHBondContact O-N 3.47Å; N285-K288 PolarHBondContact O-N 3.14Å; N285-K288 PolarHBondContact OD1-NZ 2.86Å; F286-K288 PolarHBondContact O-N 3.33Å; K288-C290 VanDerWaalsContact C-N 3.26Å; K288-C290 PolarHBondContact O-N 2.92Å; K288-I291 CarbonylContact O-C 3.6Å; K288-I291 WeakPolarHBondContact O-CA 3.18Å; K288-I291 PolarHBondContact O-N 2.81Å; K288-E292 WeakPolarHBondContact O-CG 3.29Å; K288-E292 PolarHBondContact O-N 2.79Å |
| 289 | K | 91.6 | Very high | 87.2 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.5 | -38.7 | -177.8 | -175.1 | 175.7 | 177.1 | 177.7 | 0 | 111.9 | H211 N285 F286 Q293 | H211-K289 PolarHBondContact NE2-NZ 2.87Å; N285-K289 WeakPolarHBondContact O-CB 3.16Å; N285-K289 PolarHBondContact O-N 2.87Å; F286-K289 WeakPolarHBondContact O-CB 3.26Å; F286-K289 PolarHBondContact O-N 3.33Å; F286-K289 VanDerWaalsContact O-N 3.09Å; K289-Q293 WeakPolarHBondContact O-CB 3.37Å; K289-Q293 WeakPolarHBondContact O-CG 3.47Å; K289-Q293 PolarHBondContact O-N 3.48Å; K289-Q293 VanDerWaalsContact O-N 3.08Å |
| 290 | C | 93.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 170.7 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | V225 I230 W244 L250 F286 W287 K288 H294 | V225-C290 VanDerWaalsContact CG2-SG 3.59Å; I230-C290 HydrophobicContact CD1-CB 4.31Å; W244-C290 HydrophobicContact CH2-CB 3.95Å; W244-C290 WeakPolarHBondContact CH2-O 3.2Å; W244-C290 HydrophobicContact CZ3-CB 4.34Å; L250-C290 HydrophobicContact CD1-CB 3.55Å; F286-C290 WeakPolarHBondContact CE1-SG 3.09Å; F286-C290 PolarHBondContact O-N 3.01Å; F286-C290 PolarHBondContact O-SG 2.85Å; W287-C290 PolarHBondContact O-N 2.85Å; K288-C290 VanDerWaalsContact C-N 3.26Å; K288-C290 PolarHBondContact O-N 2.92Å; C290-H294 WeakPolarHBondContact O-CB 3.43Å; C290-H294 PolarHBondContact O-N 3.24Å |
| 291 | I | 91.3 | Very high | 82.1 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.2 | -42 | -179.3 | -71 | 173.8 | 0 | 0 | 0 | 111.5 | W287 K288 H294 T295 | W287-I291 HydrophobicContact CD2-CD1 3.87Å; W287-I291 HydrophobicContact CE3-CD1 4.21Å; W287-I291 HydrophobicContact CH2-CD1 3.72Å; W287-I291 HydrophobicContact CZ2-CD1 3.33Å; W287-I291 HydrophobicContact CZ3-CD1 4.13Å; W287-I291 PolarHBondContact O-N 2.99Å; K288-I291 CarbonylContact O-C 3.6Å; K288-I291 WeakPolarHBondContact O-CA 3.18Å; K288-I291 PolarHBondContact O-N 2.81Å; I291-H294 PolarHBondContact O-N 3.33Å; I291-T295 VanDerWaalsContact O-CB 3.24Å; I291-T295 WeakPolarHBondContact O-CB 3.48Å; I291-T295 PolarHBondContact O-N 3.43Å; I291-T295 PolarHBondContact O-OG1 2.92Å |
| 292 | E | 90.4 | Very high | 79.4 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 178.9 | -71.4 | 171.3 | -137.6 | 0 | 0 | 111 | K96 K288 T295 F296 | K96-E292 WeakPolarHBondContact CE-OE2 3.33Å; K96-E292 IonicContact NZ-OE2 2.63Å; K96-E292 PolarHBondContact NZ-OE2 2.86Å; K288-E292 WeakPolarHBondContact O-CG 3.29Å; K288-E292 PolarHBondContact O-N 2.79Å; E292-T295 PolarHBondContact O-N 3.46Å; E292-F296 WeakPolarHBondContact O-CB 3.36Å; E292-F296 PolarHBondContact O-N 2.89Å |
| 293 | Q | 89.8 | Confident | 76.5 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 174.5 | -84.1 | -76.5 | -13 | 0 | 0 | 112.9 | K96 F97 V225 W244 K289 T295 F296 F297 | K96-Q293 PolarHBondContact O-NE2 3.36Å; F97-Q293 HydrophobicContact CD1-CG 4.4Å; F97-Q293 HydrophobicContact CE1-CG 4.48Å; V225-Q293 HydrophobicContact CG1-CB 3.84Å; V225-Q293 HydrophobicContact CG1-CG 3.94Å; W244-Q293 HydrophobicContact CZ2-CB 4.18Å; K289-Q293 WeakPolarHBondContact O-CB 3.37Å; K289-Q293 WeakPolarHBondContact O-CG 3.47Å; K289-Q293 PolarHBondContact O-N 3.48Å; K289-Q293 VanDerWaalsContact O-N 3.08Å; Q293-T295 VanDerWaalsContact C-N 3.29Å; Q293-T295 PolarHBondContact O-N 3.14Å; Q293-F296 PolarHBondContact O-N 2.79Å; Q293-F297 PolarHBondContact O-N 3.33Å |
| 294 | H | 89.1 | Confident | 73.6 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 17% | 0.171 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 176.6 | -179.7 | -111 | 0 | 0 | 0 | 113 | W244 C290 I291 R298 | W244-H294 HydrophobicContact CD2-CB 4.18Å; W244-H294 AromaticContact CD2-CD2 3.59Å; W244-H294 HydrophobicContact CE3-CB 4.06Å; W244-H294 AromaticContact CE3-CD2 3.53Å; W244-H294 AromaticContact CG-CD2 3.69Å; W244-H294 HydrophobicContact CH2-CB 4.32Å; W244-H294 HydrophobicContact CZ2-CB 4.39Å; W244-H294 HydrophobicContact CZ3-CB 4.15Å; W244-H294 PolarHBondContact O-NE2 2.84Å; C290-H294 WeakPolarHBondContact O-CB 3.43Å; C290-H294 PolarHBondContact O-N 3.24Å; I291-H294 PolarHBondContact O-N 3.33Å; H294-R298 PolarHBondContact CE1-NH1 3.25Å; H294-R298 PolarHBondContact NE2-NE 3.4Å; H294-R298 VanDerWaalsContact NE2-NE 3.18Å; H294-R298 PolarHBondContact NE2-NH1 2.65Å; H294-R298 VanDerWaalsContact NE2-NH1 3.19Å; H294-R298 PolarHBondContact NE2-NH2 3.36Å; H294-R298 WeakPolarHBondContact O-CB 3.45Å; H294-R298 WeakPolarHBondContact O-CG 3.48Å; H294-R298 PolarHBondContact O-N 3.4Å |
| 295 | T | 86.1 | Confident | 70.6 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.8 | -51.2 | 177.9 | -57 | 0 | 0 | 0 | 0 | 110.1 | I291 E292 Q293 F297 R298 S299 | I291-T295 VanDerWaalsContact O-CB 3.24Å; I291-T295 WeakPolarHBondContact O-CB 3.48Å; I291-T295 PolarHBondContact O-N 3.43Å; I291-T295 PolarHBondContact O-OG1 2.92Å; E292-T295 PolarHBondContact O-N 3.46Å; Q293-T295 VanDerWaalsContact C-N 3.29Å; Q293-T295 PolarHBondContact O-N 3.14Å; T295-F297 PolarHBondContact O-N 3.1Å; T295-R298 CarbonylContact O-C 3.52Å; T295-R298 PolarHBondContact O-N 3.44Å; T295-S299 WeakPolarHBondContact O-CB 3.22Å; T295-S299 PolarHBondContact O-N 3.11Å; T295-S299 PolarHBondContact O-OG 2.75Å |
| 296 | F | 86.5 | Confident | 67.5 | Low | 27 Ų | 27 | 73.9 Ų | 73.9 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -52.2 | -56.3 | -179.2 | -178.1 | -93.2 | 0 | 0 | 0 | 112.2 | E55 Y56 F97 E292 Q293 R298 S299 | E55-F296 HydrophobicContact CB-CE2 4.22Å; E55-F296 HydrophobicContact CG-CE2 4.46Å; E55-F296 VanDerWaalsContact O-CE2 3.29Å; E55-F296 WeakPolarHBondContact O-CE2 3.47Å; Y56-F296 HydrophobicContact CD1-CE1 4.16Å; Y56-F296 AromaticContact CD1-CZ 3.67Å; Y56-F296 HydrophobicContact CD1-CZ 3.67Å; Y56-F296 HydrophobicContact CE1-CE1 4.08Å; Y56-F296 AromaticContact CE1-CZ 3.75Å; Y56-F296 HydrophobicContact CE1-CZ 3.75Å; F97-F296 HydrophobicContact CB-CD1 3.69Å; F97-F296 HydrophobicContact CB-CD2 4.31Å; F97-F296 HydrophobicContact CB-CE1 3.54Å; F97-F296 HydrophobicContact CB-CE2 4.18Å; F97-F296 HydrophobicContact CB-CG 4.09Å; F97-F296 HydrophobicContact CB-CZ 3.81Å; F97-F296 HydrophobicContact CD1-CB 3.57Å; F97-F296 AromaticContact CD1-CD1 3.75Å; F97-F296 HydrophobicContact CD1-CD1 3.75Å; F97-F296 AromaticContact CD1-CD2 3.96Å; F97-F296 HydrophobicContact CD1-CD2 3.96Å; F97-F296 HydrophobicContact CD1-CE1 4.46Å; F97-F296 AromaticContact CD1-CG 3.47Å; F97-F296 HydrophobicContact CD1-CG 3.47Å; F97-F296 VanDerWaalsContact CD1-CG 3.47Å; F97-F296 AromaticContact CD2-CD2 3.67Å; F97-F296 HydrophobicContact CD2-CD2 3.67Å; F97-F296 AromaticContact CD2-CE2 3.81Å; F97-F296 HydrophobicContact CD2-CE2 3.81Å; F97-F296 HydrophobicContact CD2-CG 4.06Å; F97-F296 HydrophobicContact CD2-CZ 4.29Å; F97-F296 HydrophobicContact CE1-CB 3.49Å; F97-F296 VanDerWaalsContact CE1-CB 3.49Å; F97-F296 HydrophobicContact CE1-CD2 4.15Å; F97-F296 AromaticContact CE1-CG 3.82Å; F97-F296 HydrophobicContact CE1-CG 3.82Å; F97-F296 AromaticContact CE2-CD2 3.85Å; F97-F296 HydrophobicContact CE2-CD2 3.85Å; F97-F296 HydrophobicContact CE2-CE2 4.31Å; F97-F296 HydrophobicContact CE2-CG 4.33Å; F97-F296 HydrophobicContact CG-CB 4.22Å; F97-F296 AromaticContact CG-CD1 3.75Å; F97-F296 HydrophobicContact CG-CD1 3.75Å; F97-F296 AromaticContact CG-CD2 3.73Å; F97-F296 HydrophobicContact CG-CD2 3.73Å; F97-F296 HydrophobicContact CG-CE1 4Å; F97-F296 AromaticContact CG-CE2 3.98Å; F97-F296 HydrophobicContact CG-CE2 3.98Å; F97-F296 AromaticContact CG-CG 3.61Å; F97-F296 HydrophobicContact CG-CG 3.61Å; F97-F296 HydrophobicContact CG-CZ 4.11Å; F97-F296 HydrophobicContact CZ-CB 4.06Å; F97-F296 HydrophobicContact CZ-CD2 4.09Å; F97-F296 HydrophobicContact CZ-CG 4.22Å; E292-F296 WeakPolarHBondContact O-CB 3.36Å; E292-F296 PolarHBondContact O-N 2.89Å; Q293-F296 PolarHBondContact O-N 2.79Å; F296-R298 PolarHBondContact O-N 3.34Å; F296-R298 VanDerWaalsContact O-N 3.11Å; F296-S299 PolarHBondContact O-N 2.78Å |
| 297 | F | 81.5 | Confident | 64.2 | Low | 64 Ų | 64 | 82 Ų | 82 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.2 | 1.8 | -179.1 | -72.9 | -67.2 | 0 | 0 | 0 | 114.8 | H227 Q293 T295 | H227-F297 HydrophobicContact CB-CD1 4.25Å; H227-F297 HydrophobicContact CB-CD2 3.66Å; H227-F297 HydrophobicContact CB-CE1 4.08Å; H227-F297 HydrophobicContact CB-CE2 3.46Å; H227-F297 VanDerWaalsContact CB-CE2 3.46Å; H227-F297 HydrophobicContact CB-CG 4.06Å; H227-F297 HydrophobicContact CB-CZ 3.69Å; Q293-F297 PolarHBondContact O-N 3.33Å; T295-F297 PolarHBondContact O-N 3.1Å |
| 298 | R | 75 | Confident | 60.8 | Low | 76 Ų | 76 | 85.4 Ų | 85.4 | 29% | 0.287 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -110.4 | -22.2 | 166.7 | -74.8 | -168.7 | 177.6 | -177.2 | 10.4 | 114.4 | W244 H294 T295 F296 F319 | W244-R298 PolarHBondContact O-NH2 2.91Å; H294-R298 PolarHBondContact CE1-NH1 3.25Å; H294-R298 PolarHBondContact NE2-NE 3.4Å; H294-R298 VanDerWaalsContact NE2-NE 3.18Å; H294-R298 PolarHBondContact NE2-NH1 2.65Å; H294-R298 VanDerWaalsContact NE2-NH1 3.19Å; H294-R298 PolarHBondContact NE2-NH2 3.36Å; H294-R298 WeakPolarHBondContact O-CB 3.45Å; H294-R298 WeakPolarHBondContact O-CG 3.48Å; H294-R298 PolarHBondContact O-N 3.4Å; T295-R298 CarbonylContact O-C 3.52Å; T295-R298 PolarHBondContact O-N 3.44Å; F296-R298 PolarHBondContact O-N 3.34Å; F296-R298 VanDerWaalsContact O-N 3.11Å; R298-F319 PolarHBondContact NH1-O 2.76Å |
| 299 | S | 54.2 | Low | 57.6 | Low | 84 Ų | 84 | 84.7 Ų | 84.7 | 59% | 0.587 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -79.2 | -18 | -178.8 | -77.7 | 0 | 0 | 0 | 0 | 113.4 | T295 F296 S301 | T295-S299 WeakPolarHBondContact O-CB 3.22Å; T295-S299 PolarHBondContact O-N 3.11Å; T295-S299 PolarHBondContact O-OG 2.75Å; F296-S299 PolarHBondContact O-N 2.78Å; S299-S301 VanDerWaalsContact C-N 3.29Å; S299-S301 PolarHBondContact O-N 2.72Å |
| 300 | M | 38.7 | Very low | 54.3 | Low | 100 Ų | 100 | 90.2 Ų | 90.2 | 49% | 0.493 | 49% | 0.493 | S | S | . | . | trans | -68.2 | 80.7 | 173.2 | -80.4 | -65 | -122.6 | 0 | 0 | 112.4 | E55 P302 | E55-M300 WeakPolarHBondContact OE1-CE 3.33Å; M300-P302 WeakPolarHBondContact O-CD 3.38Å | ||
| 301 | S | 30.7 | Very low | 51 | Low | 87 Ų | 87 | 94.3 Ų | 94.3 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | trans | -76.6 | 116.4 | 157.1 | 58.7 | 0 | 0 | 0 | 0 | 109 | S299 Y303 | S299-S301 VanDerWaalsContact C-N 3.29Å; S299-S301 PolarHBondContact O-N 2.72Å; S301-Y303 PolarHBondContact O-N 2.73Å | ||
| 302 | P | 30.4 | Very low | 47.7 | Very low | 78 Ų | 78 | 99.1 Ų | 99.1 | 51% | 0.506 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -59.7 | 138.6 | 174.3 | -19.9 | 32.1 | 0 | 0 | 0 | 110.2 | M300 F509 | M300-P302 WeakPolarHBondContact O-CD 3.38Å; P302-F509 HydrophobicContact CB-CE1 3.95Å; P302-F509 HydrophobicContact CB-CZ 4.44Å; P302-F509 HydrophobicContact CG-CE1 3.96Å; P302-F509 HydrophobicContact CG-CZ 3.93Å |
| 303 | Y | 27.9 | Very low | 44.4 | Very low | 206 Ų | 206 | 99.7 Ų | 99.7 | 81% | 0.808 | 55% | 0.547 | S | S | * | . | trans | 73.3 | 49 | 179.6 | -45.1 | -71 | 0 | 0 | 0 | 116.8 | S301 F509 | S301-Y303 PolarHBondContact O-N 2.73Å; Y303-F509 HydrophobicContact CD2-CD1 4.31Å; Y303-F509 HydrophobicContact CD2-CE1 4.39Å; Y303-F509 HydrophobicContact CE2-CD1 4.25Å | ||
| 304 | G | 31.3 | Very low | 41.1 | Very low | 60 Ų | 60 | 109.2 Ų | 109.2 | 62% | 0.619 | 58% | 0.582 | S | S | * | * | trans | -87.8 | 116.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R306 | G304-R306 PolarHBondContact O-N 3.45Š| ||
| 305 | N | 27.3 | Very low | 37.9 | Very low | 165 Ų | 165 | 113.2 Ų | 113.2 | 88% | 0.882 | 61% | 0.605 | S | S | * | * | trans | -67.7 | 125.1 | -178.8 | -95.1 | -50.8 | 0 | 0 | 0 | 112.4 | K307 | N305-K307 PolarHBondContact O-N 3.01Å; N305-K307 VanDerWaalsContact O-N 3.14Å | ||
| 306 | R | 24.7 | Very low | 34.8 | Very low | 192 Ų | 192 | 115.2 Ų | 115.2 | 73% | 0.725 | 62% | 0.621 | S | S | * | * | trans | -69 | 103.3 | 175.9 | -59.1 | -179.9 | -172.1 | 158.3 | 5.7 | 110.9 | G304 | G304-R306 PolarHBondContact O-N 3.45Š| ||
| 307 | K | 22.9 | Very low | 31.7 | Very low | 170 Ų | 170 | 121 Ų | 121 | 74% | 0.739 | 65% | 0.647 | S | S | * | * | trans | -135.5 | 126.1 | 150.6 | -80.9 | -153.8 | 172.7 | -164.9 | 0 | 109.1 | N305 N1710 | N305-K307 PolarHBondContact O-N 3.01Å; N305-K307 VanDerWaalsContact O-N 3.14Å; K307-N1710 PolarHBondContact NZ-OD1 2.98Å | ||
| 308 | C | 23.4 | Very low | 28.9 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 96% | 0.959 | 66% | 0.662 | S | S | * | * | trans | -76.1 | 146.6 | -175 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 309 | G | 22.9 | Very low | 26.4 | Very low | 58 Ų | 58 | 126.1 Ų | 126.1 | 60% | 0.598 | 68% | 0.68 | S | S | * | * | trans | 160.4 | 120 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 310 | T | 23.1 | Very low | 24.9 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 92% | 0.92 | 67% | 0.674 | S | S | * | * | trans | 53.9 | 117.1 | 165.7 | 56.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 311 | V | 23.1 | Very low | 24.1 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 52% | 0.521 | 69% | 0.688 | S | S | . | * | trans | -79.3 | 144 | 172 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L39 | L39-V311 HydrophobicContact CD2-CG2 4.38Š| ||
| 312 | N | 22.5 | Very low | 23.7 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 68% | 0.679 | S | S | * | * | trans | -154.7 | 138.6 | 154.7 | -126.5 | -59.4 | 0 | 0 | 0 | 112.9 | ||||
| 313 | H | 22.2 | Very low | 23.5 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 32% | 0.319 | 69% | 0.694 | S | S | . | * | trans | -99 | -179.6 | -153.2 | -53.4 | -88.1 | 0 | 0 | 0 | 116.8 | N74 K1786 | N74-H313 PolarHBondContact OD1-CE1 2.97Å; N74-H313 PolarHBondContact OD1-ND1 3.03Å; H313-K1786 PolarHBondContact O-NZ 3.37Å | ||
| 314 | R | 20.2 | Very low | 23.3 | Very low | 213 Ų | 213 | 128.9 Ų | 128.9 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | 60.7 | 89.5 | 155.4 | -61.9 | 171.7 | -164.9 | 173.9 | 5.9 | 116.8 | K1786 | R314-K1786 WeakPolarHBondContact O-CE 3.44Å; R314-K1786 PolarHBondContact O-NZ 2.99Å | ||
| 315 | N | 21.1 | Very low | 23 | Very low | 120 Ų | 120 | 133 Ų | 133 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | -175 | 122.1 | 122.7 | -92.9 | -4.4 | 0 | 0 | 0 | 110.6 | F317 | N315-F317 HydrophobicContact CB-CE2 4.27Š| |||
| 316 | S | 21.1 | Very low | 22.8 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | trans | -74 | 128.2 | 178.4 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 317 | F | 21.6 | Very low | 22.6 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | trans | -127.9 | 120.3 | 165.6 | -78.7 | -73.9 | 0 | 0 | 0 | 110.9 | N315 | N315-F317 HydrophobicContact CB-CE2 4.27Š| ||
| 318 | V | 22.7 | Very low | 22.5 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 60% | 0.6 | 70% | 0.703 | S | S | * | * | trans | -89.6 | 128.2 | -173.3 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 319 | F | 21.7 | Very low | 22.5 | Very low | 150 Ų | 150 | 131 Ų | 131 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | trans | -136.7 | 152.4 | 157.8 | -79.5 | -76.8 | 0 | 0 | 0 | 111.4 | R298 | R298-F319 PolarHBondContact NH1-O 2.76Š| ||
| 320 | P | 22.9 | Very low | 23.1 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 47% | 0.474 | 70% | 0.704 | S | S | . | * | trans | -105 | 154.7 | -172.8 | 7.9 | 15.4 | 0 | 0 | 0 | 114 | ||||
| 321 | H | 22.5 | Very low | 23.1 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 78% | 0.782 | 71% | 0.706 | S | S | * | * | trans | -121.3 | 143.2 | 159 | -81.4 | -3 | 0 | 0 | 0 | 109.7 | ||||
| 322 | S | 23.2 | Very low | 23.1 | Very low | 59 Ų | 59 | 135.7 Ų | 135.7 | 41% | 0.413 | 72% | 0.716 | S | S | . | * | trans | -112.6 | 116.6 | -174.3 | 55.2 | 0 | 0 | 0 | 0 | 110 | Y504 | S322-Y504 VanDerWaalsContact OG-CE1 3.32Å; S322-Y504 WeakPolarHBondContact OG-CE1 3.43Å; S322-Y504 PolarHBondContact OG-OH 3.19Å | ||
| 323 | F | 26.2 | Very low | 23.1 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 82% | 0.82 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 134.5 | 162 | -75.6 | -87.2 | 0 | 0 | 0 | 109.1 | ||
| 324 | T | 23.8 | Very low | 23.1 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 126.2 | 177.5 | 45.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 325 | N | 24.5 | Very low | 23.2 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 143.5 | 173.7 | -67 | -15.4 | 0 | 0 | 0 | 111.2 | ||
| 326 | I | 22.2 | Very low | 23.1 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | trans | -128.6 | 144.5 | 163.6 | -52.5 | -179.5 | 0 | 0 | 0 | 106.2 | ||||
| 327 | F | 21.8 | Very low | 23.1 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | 74.9 | 87.7 | -178.3 | -49.8 | -68.4 | 0 | 0 | 0 | 117.4 | ||||
| 328 | S | 20.2 | Very low | 23.1 | Very low | 129 Ų | 129 | 145 Ų | 145 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -159.2 | 152.7 | 130.6 | 2.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 329 | L | 22.7 | Very low | 23 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -91.8 | 159.3 | -165.8 | -77.4 | 161.8 | 0 | 0 | 0 | 113.6 | ||||
| 330 | P | 36 | Very low | 22.9 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -91.9 | 154.5 | -171.7 | 36.4 | -35.6 | 0 | 0 | 0 | 113.8 | ||||
| 331 | F | 24.1 | Very low | 22.9 | Very low | 218 Ų | 218 | 145.1 Ų | 145.1 | 96% | 0.956 | 81% | 0.807 | S | S | * | * | trans | -139.3 | 146.5 | 153.4 | -94.3 | -76.3 | 0 | 0 | 0 | 111.4 | ||||
| 332 | G | 22.8 | Very low | 22.8 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -81.2 | 158.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L334 | G332-L334 PolarHBondContact O-N 3.04Š| ||
| 333 | K | 22.2 | Very low | 22.8 | Very low | 209 Ų | 209 | 146.7 Ų | 146.7 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -79.3 | 108.9 | 170.4 | -69 | 177.3 | -179.4 | 173.6 | 0 | 109.5 | ||||
| 334 | L | 22.2 | Very low | 22.7 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -65.4 | 156.1 | 169.6 | -85.6 | 165.8 | 0 | 0 | 0 | 111.6 | G332 | G332-L334 PolarHBondContact O-N 3.04Š| ||
| 335 | H | 21.3 | Very low | 22.5 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.815 | 83% | 0.831 | S | S | * | * | trans | -73.2 | 159.5 | -164.7 | -112.1 | -117.7 | 0 | 0 | 0 | 114.2 | S337 | H335-S337 PolarHBondContact O-N 3.32Š| ||
| 336 | R | 19 | Very low | 22.4 | Very low | 240 Ų | 240 | 144.1 Ų | 144.1 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -63.2 | 110.9 | 151.3 | -75.7 | -178.2 | 172.9 | -170.3 | -3.1 | 108.3 | ||||
| 337 | S | 21.1 | Very low | 22.4 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 81% | 0.811 | 84% | 0.843 | S | S | * | * | trans | -78 | 132.4 | 144.4 | 43.9 | 0 | 0 | 0 | 0 | 107.7 | H335 | H335-S337 PolarHBondContact O-N 3.32Š| ||
| 338 | A | 21.4 | Very low | 22.6 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -92.2 | 124.7 | 172 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 339 | S | 22.1 | Very low | 22.6 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -147 | 141.2 | 154.3 | -163.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 340 | C | 19.4 | Very low | 22.9 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -110.2 | 169.1 | 177.5 | 30 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 341 | G | 21.6 | Very low | 22.2 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | 97.6 | 104.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 342 | A | 21.3 | Very low | 22.1 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | cis | 96.2 | 110.6 | 42.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 343 | N | 23.6 | Very low | 22.2 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | trans | 59.8 | 126.1 | 140.6 | -53.7 | -5.6 | 0 | 0 | 0 | 120.2 | ||||
| 344 | G | 23.6 | Very low | 22.2 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | 134.1 | 75.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 345 | L | 20.3 | Very low | 22.2 | Very low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | 54.7 | 93.2 | 50 | -165.5 | 120.4 | 0 | 0 | 0 | 112.7 | |||||
| 346 | L | 22.2 | Very low | 22.3 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -162.1 | 148.6 | 135.6 | -108.6 | 169.6 | 0 | 0 | 0 | 110.7 | ||||
| 347 | N | 22.2 | Very low | 22.5 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -80.8 | 150.3 | 178.9 | -68.8 | -59.9 | 0 | 0 | 0 | 111.4 | ||||
| 348 | S | 25.3 | Very low | 22.5 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -146.1 | 139.9 | 135.4 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 349 | K | 21 | Very low | 22.6 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 81% | 0.809 | 82% | 0.817 | S | S | * | * | trans | -105.4 | 123.5 | 166.2 | -78.7 | 179.1 | 176.4 | 174.9 | 0 | 107.6 | ||||
| 350 | A | 27.8 | Very low | 22.6 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | trans | -141.1 | 99.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 351 | S | 21.3 | Very low | 22.7 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 58.4 | 96.3 | 81.7 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 352 | T | 22.2 | Very low | 22.9 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 42 | 104.7 | 144.6 | 54.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 353 | H | 25.5 | Very low | 23 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | -141.5 | 140.1 | 118.5 | -115.8 | -86.6 | 0 | 0 | 0 | 110.2 | |||||
| 354 | K | 21.7 | Very low | 22.9 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -75.4 | 134.4 | 152.3 | -72.4 | 178.6 | 175.8 | -179.6 | 0 | 106.1 | ||||
| 355 | E | 22 | Very low | 22.9 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | -161.5 | 156.8 | 118.6 | -114 | 160.7 | -154.1 | 0 | 0 | 110.7 | |||||
| 356 | N | 22.8 | Very low | 23 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -81.1 | 134.7 | -178.4 | -56.8 | -28.7 | 0 | 0 | 0 | 108.8 | ||||
| 357 | N | 23.8 | Very low | 23 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -134.3 | 105.8 | 150.1 | -97.1 | -53.8 | 0 | 0 | 0 | 108 | I359 | N357-I359 PolarHBondContact O-N 3.41Å; N357-I359 VanDerWaalsContact O-N 3.09Å | ||
| 358 | E | 21.5 | Very low | 23 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -72.7 | 97.2 | 176.9 | -63.2 | 178.2 | 126.4 | 0 | 0 | 108.4 | S360 | E358-S360 PolarHBondContact O-N 3.14Š| ||
| 359 | I | 23.5 | Very low | 22.9 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -74.8 | 81.5 | 164.6 | -58.9 | -177.3 | 0 | 0 | 0 | 107.4 | N357 | N357-I359 PolarHBondContact O-N 3.41Å; N357-I359 VanDerWaalsContact O-N 3.09Å | ||
| 360 | S | 21.5 | Very low | 23 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -69 | 152.5 | 160.1 | 65.9 | 0 | 0 | 0 | 0 | 110 | E358 | E358-S360 PolarHBondContact O-N 3.14Š| ||
| 361 | S | 23 | Very low | 22.8 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | trans | 75.2 | 148.4 | -173.5 | 114.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 362 | D | 25 | Very low | 22.8 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -100.8 | 134.7 | 11.6 | -75.3 | -38.1 | 0 | 0 | 0 | 116.2 | C364 | D362-C364 PolarHBondContact O-N 3.34Š| ||
| 363 | I | 24.2 | Very low | 22.8 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 67% | 0.672 | 76% | 0.759 | S | S | * | * | trans | -84.9 | 108.3 | 175 | -62.8 | 165.2 | 0 | 0 | 0 | 108.2 | N365 | I363-N365 HydrophobicContact CG2-CB 4.26Å; I363-N365 PolarHBondContact O-N 3.29Å | ||
| 364 | C | 21.7 | Very low | 22.7 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -65.8 | 81.4 | 166.7 | -77.6 | 0 | 0 | 0 | 0 | 110.6 | D362 T366 | D362-C364 PolarHBondContact O-N 3.34Å; C364-T366 VanDerWaalsContact C-N 3.26Å; C364-T366 PolarHBondContact O-N 3.39Å | ||
| 365 | N | 23 | Very low | 22.7 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 58% | 0.583 | 75% | 0.754 | S | S | * | * | trans | -74.9 | 68.1 | -172.7 | -123.2 | -48.1 | 0 | 0 | 0 | 111.5 | I363 K367 | I363-N365 HydrophobicContact CG2-CB 4.26Å; I363-N365 PolarHBondContact O-N 3.29Å; N365-K367 PolarHBondContact O-N 3.2Å | ||
| 366 | T | 22.1 | Very low | 22.7 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | -72.9 | 69.5 | 176.8 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | C364 S368 | C364-T366 VanDerWaalsContact C-N 3.26Å; C364-T366 PolarHBondContact O-N 3.39Å; T366-S368 PolarHBondContact O-N 2.7Å | ||
| 367 | K | 22 | Very low | 22.7 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 69 | 172.2 | -71.8 | -176.7 | 176.2 | 177.6 | 0 | 110.9 | N365 S369 | N365-K367 PolarHBondContact O-N 3.2Å; K367-S369 PolarHBondContact O-N 3.25Å | ||
| 368 | S | 22.1 | Very low | 22.8 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -77.5 | 67.4 | 174.5 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | T366 Q370 | T366-S368 PolarHBondContact O-N 2.7Å; S368-Q370 VanDerWaalsContact C-N 3.26Å; S368-Q370 PolarHBondContact O-N 3.28Å | ||
| 369 | S | 22.9 | Very low | 22.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -70.6 | 78.6 | 175.2 | 55.3 | 0 | 0 | 0 | 0 | 111 | K367 N371 | K367-S369 PolarHBondContact O-N 3.25Å; S369-N371 PolarHBondContact O-N 3.35Å | ||
| 370 | Q | 23 | Very low | 22.7 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 93.6 | 174.8 | -71.2 | -168.1 | -7.3 | 0 | 0 | 110.6 | S368 S372 | S368-Q370 VanDerWaalsContact C-N 3.26Å; S368-Q370 PolarHBondContact O-N 3.28Å; Q370-S372 PolarHBondContact O-N 2.85Å | ||
| 371 | N | 23 | Very low | 22.9 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -65.9 | 80.3 | 168.3 | -74 | -15 | 0 | 0 | 0 | 110 | S369 H373 | S369-N371 PolarHBondContact O-N 3.35Å; N371-H373 PolarHBondContact O-CD2 2.97Å; N371-H373 PolarHBondContact O-N 2.54Å | ||
| 372 | S | 22.3 | Very low | 22.8 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | -77.4 | 116.7 | 179.5 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | Q370 L374 | Q370-S372 PolarHBondContact O-N 2.85Å; S372-L374 PolarHBondContact O-N 2.93Å | ||
| 373 | H | 22.3 | Very low | 22.7 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -70 | 119.3 | -173.2 | -71.9 | -115.5 | 0 | 0 | 0 | 112 | N371 S375 | N371-H373 PolarHBondContact O-CD2 2.97Å; N371-H373 PolarHBondContact O-N 2.54Å; H373-S375 PolarHBondContact O-N 3.01Å | ||
| 374 | L | 23.3 | Very low | 22.7 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -80.2 | 106.4 | 172.6 | -78.5 | 82.8 | 0 | 0 | 0 | 111.3 | S372 | S372-L374 PolarHBondContact O-N 2.93Š| ||
| 375 | S | 21.5 | Very low | 22.7 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | 172.7 | 121.6 | 126.9 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | H373 | H373-S375 PolarHBondContact O-N 3.01Š| |||
| 376 | T | 22 | Very low | 22.7 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -105.2 | 129.5 | 167.1 | 43.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 377 | P | 23 | Very low | 22.7 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 135.7 | -173.7 | 28.9 | -34.2 | 0 | 0 | 0 | 112.6 | ||
| 378 | V | 25 | Very low | 22.7 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.1 | -179.7 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | R380 | V378-R380 PolarHBondContact O-N 3.01Š|
| 379 | K | 23 | Very low | 22.8 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.6 | 172.3 | -71.1 | 177.9 | 178.5 | 174.2 | 0 | 110.2 | V381 | K379-V381 PolarHBondContact O-N 3.09Š|
| 380 | R | 20.9 | Very low | 22.8 | Very low | 243 Ų | 243 | 147.1 Ų | 147.1 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -71 | 112.7 | 168.1 | -177.9 | -177.3 | -86.6 | 172.2 | -10.1 | 108.8 | V378 | V378-R380 PolarHBondContact O-N 3.01Š| ||
| 381 | V | 24.8 | Very low | 22.8 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 138.9 | 171 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | K379 | K379-V381 PolarHBondContact O-N 3.09Š|
| 382 | G | 22.4 | Very low | 22.9 | Very low | 61 Ų | 61 | 144.5 Ų | 144.5 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L384 | G382-L384 PolarHBondContact O-N 2.92Š|
| 383 | H | 22.6 | Very low | 22.9 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 116.3 | 174.1 | -144.2 | -91.1 | 0 | 0 | 0 | 108.8 | ||
| 384 | L | 23 | Very low | 22.9 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 133.7 | 170 | -96.1 | 160 | 0 | 0 | 0 | 108.1 | G382 | G382-L384 PolarHBondContact O-N 2.92Š|
| 385 | N | 22.7 | Very low | 23 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73 | 144 | -169.4 | -78.1 | -9.7 | 0 | 0 | 0 | 112.6 | S387 | N385-S387 PolarHBondContact O-N 2.92Š|
| 386 | R | 21.9 | Very low | 23.1 | Very low | 244 Ų | 244 | 146.2 Ų | 146.2 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -82.9 | 99.3 | -174.9 | -176.8 | -170.4 | -167.9 | -160.2 | 4.7 | 110.2 | ||||
| 387 | S | 23.2 | Very low | 23.2 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -82.2 | 127.5 | 154 | 44.2 | 0 | 0 | 0 | 0 | 108.3 | N385 | N385-S387 PolarHBondContact O-N 2.92Š| ||
| 388 | G | 21.3 | Very low | 23.2 | Very low | 69 Ų | 69 | 150.8 Ų | 150.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -121.8 | 142.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 389 | S | 25.6 | Very low | 23.2 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -136.9 | 135.3 | 162.4 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 390 | N | 22.5 | Very low | 23.2 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 175.2 | -179.4 | -52.7 | -33.5 | 0 | 0 | 0 | 109.3 | ||||
| 391 | S | 23.2 | Very low | 23.5 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | cis | -159.5 | 163 | 16.4 | -24.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 392 | H | 24.3 | Very low | 23.7 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 29.8 | 106.3 | 149 | -62.6 | -72.6 | 0 | 0 | 0 | 120.3 | ||||
| 393 | F | 22.7 | Very low | 24.1 | Very low | 217 Ų | 217 | 146.3 Ų | 146.3 | 95% | 0.952 | 80% | 0.796 | S | S | * | * | -131.5 | 104.2 | 129.8 | -109.7 | -85.8 | 0 | 0 | 0 | 108.3 | |||||
| 394 | S | 22.1 | Very low | 24.6 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -128.6 | 96.5 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 395 | S | 25.9 | Very low | 25.2 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | -103.6 | 118.4 | 168.2 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | Y397 | S395-Y397 PolarHBondContact O-N 3.26Š| ||
| 396 | E | 22.6 | Very low | 25.8 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -75.2 | 115.9 | -173.2 | -64 | 170.7 | 140.8 | 0 | 0 | 110.4 | N398 | E396-N398 PolarHBondContact O-N 3.45Š| ||
| 397 | Y | 24.7 | Very low | 26.3 | Very low | 206 Ų | 206 | 131 Ų | 131 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | trans | -93.2 | 91.3 | 169.7 | -90.1 | -91.3 | 0 | 0 | 0 | 109.6 | S395 S399 | S395-Y397 PolarHBondContact O-N 3.26Å; Y397-S399 PolarHBondContact O-N 3.17Å; Y397-S399 VanDerWaalsContact O-N 3.08Å | ||
| 398 | N | 23.6 | Very low | 26.7 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | -64.5 | 107.3 | 171.3 | -84.1 | -35.4 | 0 | 0 | 0 | 110.3 | E396 | E396-N398 PolarHBondContact O-N 3.45Š| ||
| 399 | S | 23.6 | Very low | 26.9 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | -154.9 | 84.8 | 169.1 | -74.6 | 0 | 0 | 0 | 0 | 107.5 | Y397 | Y397-S399 PolarHBondContact O-N 3.17Å; Y397-S399 VanDerWaalsContact O-N 3.08Å | ||
| 400 | S | 24.5 | Very low | 27 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | trans | -63.2 | 164.3 | -178.5 | 46 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 401 | S | 26.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | 76.3 | 20.7 | 172.9 | -52.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 402 | L | 29 | Very low | 27.3 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | trans | -75.3 | 116 | 145.3 | -82 | 170.4 | 0 | 0 | 0 | 108.5 | F404 | L402-F404 PolarHBondContact O-N 3Š| ||
| 403 | K | 31.6 | Very low | 27.3 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -62.1 | 134.3 | 174.9 | -79.2 | -179.9 | 175.2 | 174.1 | 0 | 109.7 | N405 | K403-N405 PolarHBondContact O-N 3.36Š| ||
| 404 | F | 31.4 | Very low | 27.4 | Very low | 204 Ų | 204 | 135 Ų | 135 | 90% | 0.895 | 73% | 0.725 | S | S | * | * | trans | -39.4 | 122 | -168.2 | -88.6 | -101.9 | 0 | 0 | 0 | 114.5 | L402 P406 | L402-F404 PolarHBondContact O-N 3Å; F404-P406 WeakPolarHBondContact O-CD 3.45Å | ||
| 405 | N | 35.4 | Very low | 27.5 | Very low | 85 Ų | 85 | 138 Ų | 138 | 46% | 0.455 | 73% | 0.73 | S | S | . | * | trans | -70 | 114.6 | 168.5 | 179.8 | -4.4 | 0 | 0 | 0 | 109 | K403 Y407 | K403-N405 PolarHBondContact O-N 3.36Å; N405-Y407 PolarHBondContact O-N 2.64Å; N405-Y407 WeakPolarHBondContact OD1-CD2 3.38Å; N405-Y407 PolarHBondContact OD1-N 3.05Å | ||
| 406 | P | 36.3 | Very low | 27.4 | Very low | 58 Ų | 58 | 145.2 Ų | 145.2 | 38% | 0.377 | 74% | 0.743 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | 4.7 | -168.9 | 31.7 | -37.1 | 0 | 0 | 0 | 114.8 | K189 F404 F408 | K189-P406 HydrophobicContact CD-CB 4.08Å; F404-P406 WeakPolarHBondContact O-CD 3.45Å; P406-F408 VanDerWaalsContact C-N 3.35Å; P406-F408 PolarHBondContact O-N 2.94Å |
| 407 | Y | 32.5 | Very low | 27.6 | Very low | 66 Ų | 66 | 148.1 Ų | 148.1 | 26% | 0.259 | 75% | 0.747 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | -1.2 | -175.5 | -84.2 | -101.3 | 0 | 0 | 0 | 115.4 | D108 Y112 N405 | D108-Y407 HydrophobicContact CB-CD1 4.46Å; D108-Y407 HydrophobicContact CB-CE1 3.85Å; D108-Y407 PolarHBondContact O-OH 2.88Å; Y112-Y407 HydrophobicContact CD2-CE2 4.27Å; Y112-Y407 HydrophobicContact CG-CE2 4.19Å; N405-Y407 PolarHBondContact O-N 2.64Å; N405-Y407 WeakPolarHBondContact OD1-CD2 3.38Å; N405-Y407 PolarHBondContact OD1-N 3.05Å |
| 408 | F | 30.7 | Very low | 27.8 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -109 | -4.6 | -168.3 | -94.7 | -75.4 | 0 | 0 | 0 | 117.5 | P406 | P406-F408 VanDerWaalsContact C-N 3.35Å; P406-F408 PolarHBondContact O-N 2.94Å |
| 409 | D | 26.5 | Very low | 28.1 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | -137.7 | 76.6 | -175 | -155.9 | 5.6 | 0 | 0 | 0 | 114.1 | ||||
| 410 | D | 28.2 | Very low | 28.3 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | trans | -114.6 | 83 | 175.7 | -115.3 | -22.2 | 0 | 0 | 0 | 109.8 | ||||
| 411 | R | 24.9 | Very low | 28.6 | Very low | 232 Ų | 232 | 143.9 Ų | 143.9 | 88% | 0.875 | 72% | 0.719 | S | S | * | * | trans | -121.7 | 24.2 | -178.3 | -82.1 | -163.1 | 177.4 | -164 | 5.9 | 115.8 | ||||
| 412 | T | 26.2 | Very low | 28.7 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | -119.8 | 38.4 | -172.9 | 46.7 | 0 | 0 | 0 | 0 | 115.1 | S414 | T412-S414 PolarHBondContact O-N 3.4Š| ||
| 413 | A | 23.7 | Very low | 28.7 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 94% | 0.942 | 70% | 0.695 | S | S | * | * | trans | -73.6 | 79.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 414 | S | 25.3 | Very low | 28.6 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | trans | -139.2 | 162.4 | 175.4 | -165.5 | 0 | 0 | 0 | 0 | 114.1 | T412 | T412-S414 PolarHBondContact O-N 3.4Š| ||
| 415 | M | 24.6 | Very low | 28.5 | Very low | 159 Ų | 159 | 131 Ų | 131 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | trans | 50.2 | 74.4 | 171.9 | -71.9 | -63.7 | 111.8 | 0 | 0 | 118.4 | R417 | M415-R417 PolarHBondContact O-N 3.22Š| ||
| 416 | R | 24.7 | Very low | 28.1 | Very low | 243 Ų | 243 | 133.1 Ų | 133.1 | 92% | 0.917 | 67% | 0.667 | S | S | * | * | trans | -72.4 | 116.4 | 162.9 | -77.6 | -175.9 | 171.7 | 124.8 | 1.7 | 112.4 | ||||
| 417 | R | 26.8 | Very low | 27.7 | Very low | 237 Ų | 237 | 134.7 Ų | 134.7 | 89% | 0.894 | 68% | 0.679 | S | S | * | * | trans | -119 | 134.3 | 152.3 | -67.2 | -177.2 | -177.9 | 170.5 | 1.6 | 108.5 | M415 | M415-R417 PolarHBondContact O-N 3.22Š| ||
| 418 | K | 28.6 | Very low | 27.3 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | -93.2 | 123.2 | -179.2 | -65.7 | 179 | 178.5 | 179.8 | 0 | 109.9 | ||||
| 419 | S | 28.9 | Very low | 27 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | trans | -92.8 | 143.7 | 168.7 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 420 | H | 28.3 | Very low | 26.9 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -108 | 12.4 | -178.2 | -98.8 | -63.5 | 0 | 0 | 0 | 113.5 | L422 | H420-L422 PolarHBondContact O-N 3.49Š| ||
| 421 | A | 30.4 | Very low | 26.7 | Very low | 44 Ų | 44 | 136.1 Ų | 136.1 | 36% | 0.364 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -66.4 | -35.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T183 T423 K424 | T183-A421 HydrophobicContact CG2-CB 4.27Å; A421-T423 VanDerWaalsContact C-N 3.29Å; A421-T423 PolarHBondContact O-N 3.05Å; A421-K424 PolarHBondContact O-N 3.26Å |
| 422 | L | 28.6 | Very low | 26.8 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 40% | 0.403 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -61.9 | -33.2 | -168.2 | -156.1 | 151.7 | 0 | 0 | 0 | 112.9 | H420 L426 | H420-L422 PolarHBondContact O-N 3.49Å; L422-L426 HydrophobicContact CD2-CD1 4.24Å |
| 423 | T | 28.8 | Very low | 26.6 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -69.6 | -30.6 | 175.3 | -39.4 | 0 | 0 | 0 | 0 | 113 | A421 | A421-T423 VanDerWaalsContact C-N 3.29Å; A421-T423 PolarHBondContact O-N 3.05Å |
| 424 | K | 29.3 | Very low | 26.6 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -78.9 | -20.7 | -173.8 | -160.2 | 175.2 | -176.5 | -178.9 | 0 | 113 | A421 S427 | A421-K424 PolarHBondContact O-N 3.26Å; K424-S427 PolarHBondContact O-OG 3.09Å |
| 425 | L | 29.5 | Very low | 26.5 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 32% | 0.319 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -91.3 | -13.1 | 179.6 | -67.8 | 177.5 | 0 | 0 | 0 | 114.1 | ||
| 426 | L | 26.9 | Very low | 26.5 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -88.7 | -11.8 | 175.6 | -69.4 | 173.2 | 0 | 0 | 0 | 113.4 | L422 | L422-L426 HydrophobicContact CD2-CD1 4.24Š|
| 427 | S | 28 | Very low | 26.5 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -102.7 | -7.9 | -178.6 | 55.6 | 0 | 0 | 0 | 0 | 114.9 | K424 Q429 | K424-S427 PolarHBondContact O-OG 3.09Å; S427-Q429 PolarHBondContact O-N 3.46Å; S427-Q429 VanDerWaalsContact O-N 3.16Å |
| 428 | Q | 25.3 | Very low | 26.4 | Very low | 130 Ų | 130 | 122 Ų | 122 | 61% | 0.607 | 70% | 0.702 | S | S | * | * | trans | -87.1 | 81.1 | -179.4 | -72.2 | -173.8 | -32.7 | 0 | 0 | 112 | ||||
| 429 | Q | 23.9 | Very low | 26.1 | Very low | 185 Ų | 185 | 119.8 Ų | 119.8 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | trans | -100.2 | 90.7 | 156.6 | -74.9 | -172 | -33.3 | 0 | 0 | 109.1 | S427 | S427-Q429 PolarHBondContact O-N 3.46Å; S427-Q429 VanDerWaalsContact O-N 3.16Å | ||
| 430 | T | 24.5 | Very low | 25.8 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | trans | -77.1 | 127.9 | 167.2 | 38.2 | 0 | 0 | 0 | 0 | 109.7 | I432 | T430-I432 PolarHBondContact O-N 3.29Š| ||
| 431 | P | 22.9 | Very low | 25.6 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | trans | -72.2 | 113.1 | 176.8 | 28.8 | -32.6 | 0 | 0 | 0 | 109.7 | T433 | P431-T433 PolarHBondContact O-N 2.89Š| ||
| 432 | I | 26.9 | Very low | 25.5 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | trans | -77.8 | 115.8 | 173.7 | -59 | 175.5 | 0 | 0 | 0 | 108 | T430 | T430-I432 PolarHBondContact O-N 3.29Š| ||
| 433 | T | 22.9 | Very low | 25.6 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | trans | -98.9 | 115.5 | 174.8 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | P431 | P431-T433 PolarHBondContact O-N 2.89Š| ||
| 434 | G | 23.3 | Very low | 26.2 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 70% | 0.696 | S | S | * | * | trans | 141.1 | 141.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 435 | G | 24.3 | Very low | 27.3 | Very low | 83 Ų | 83 | 118.8 Ų | 118.8 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | trans | 80.5 | 105.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 436 | G | 24 | Very low | 28.3 | Very low | 88 Ų | 88 | 116.1 Ų | 116.1 | 91% | 0.907 | 66% | 0.655 | S | S | * | * | trans | -94.9 | 95 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 437 | E | 25.3 | Very low | 29.5 | Very low | 176 Ų | 176 | 113.4 Ų | 113.4 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | trans | -127.4 | 153.9 | 162.5 | -69.3 | -170 | 160.1 | 0 | 0 | 109.7 | I439 | E437-I439 PolarHBondContact O-N 3.45Š| ||
| 438 | H | 22.9 | Very low | 30.5 | Very low | 198 Ų | 198 | 111.8 Ų | 111.8 | 92% | 0.917 | 63% | 0.632 | S | S | * | * | trans | -67.8 | 105.4 | -171.8 | -90.4 | -122.9 | 0 | 0 | 0 | 112.4 | E440 | H438-E440 VanDerWaalsContact C-N 3.33Å; H438-E440 PolarHBondContact O-N 3.34Å | ||
| 439 | I | 22.8 | Very low | 31.3 | Very low | 147 Ų | 147 | 106.6 Ų | 106.6 | 75% | 0.754 | 61% | 0.608 | S | S | * | * | trans | -76.1 | 78.8 | 177.9 | -47.9 | -180 | 0 | 0 | 0 | 110.8 | E437 L441 | E437-I439 PolarHBondContact O-N 3.45Å; I439-L441 HydrophobicContact CG2-CD2 4.03Å; I439-L441 HydrophobicContact CG2-CG 4.45Å; I439-L441 PolarHBondContact O-N 3.41Å | ||
| 440 | E | 23.2 | Very low | 31.9 | Very low | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | trans | -63.1 | 120.8 | 152 | -83.3 | -146.2 | 151.2 | 0 | 0 | 107.8 | K235 H438 F442 | K235-E440 IonicContact NZ-OE1 3.22Å; K235-E440 PolarHBondContact NZ-OE1 3.05Å; K235-E440 IonicContact NZ-OE2 2.95Å; K235-E440 PolarHBondContact NZ-OE2 3.43Å; H438-E440 VanDerWaalsContact C-N 3.33Å; H438-E440 PolarHBondContact O-N 3.34Å; E440-F442 VanDerWaalsContact C-N 3.34Å; E440-F442 VanDerWaalsContact O-CD2 3.23Å; E440-F442 WeakPolarHBondContact O-CD2 3.26Å; E440-F442 PolarHBondContact O-N 2.86Å | ||
| 441 | L | 25 | Very low | 32.1 | Very low | 152 Ų | 152 | 99.3 Ų | 99.3 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | trans | -74.3 | 83.8 | -179.4 | -73.9 | 169.5 | 0 | 0 | 0 | 111 | I439 R443 | I439-L441 HydrophobicContact CG2-CD2 4.03Å; I439-L441 HydrophobicContact CG2-CG 4.45Å; I439-L441 PolarHBondContact O-N 3.41Å; L441-R443 PolarHBondContact O-N 3.18Å | ||
| 442 | F | 26.7 | Very low | 32.2 | Very low | 169 Ų | 169 | 104.4 Ų | 104.4 | 74% | 0.741 | 58% | 0.581 | S | S | * | * | trans | -52.6 | 108.8 | 176.8 | -69.9 | -80.8 | 0 | 0 | 0 | 112 | E440 L444 | E440-F442 VanDerWaalsContact C-N 3.34Å; E440-F442 VanDerWaalsContact O-CD2 3.23Å; E440-F442 WeakPolarHBondContact O-CD2 3.26Å; E440-F442 PolarHBondContact O-N 2.86Å; F442-L444 HydrophobicContact CB-CD2 4.13Å; F442-L444 PolarHBondContact O-N 3.46Å; F442-L444 VanDerWaalsContact O-N 3.15Å | ||
| 443 | R | 31.5 | Very low | 32.2 | Very low | 111 Ų | 111 | 101.6 Ų | 101.6 | 42% | 0.419 | 58% | 0.576 | S | S | . | * | trans | -77.9 | 90.4 | 171.7 | -74.1 | 177.4 | 164 | -152.2 | -11.5 | 109.2 | E204 F236 L441 S445 | E204-R443 VanDerWaalsContact CD-NH1 3.29Å; E204-R443 IonicContact OE1-NH1 2.67Å; E204-R443 PolarHBondContact OE1-NH1 2.87Å; E204-R443 IonicContact OE2-CZ 3.56Å; E204-R443 VanDerWaalsContact OE2-CZ 3.23Å; E204-R443 IonicContact OE2-NH1 3.23Å; E204-R443 PolarHBondContact OE2-NH1 3.18Å; E204-R443 IonicContact OE2-NH2 3.34Å; E204-R443 PolarHBondContact OE2-NH2 3.21Å; F236-R443 PolarHBondContact O-NH1 3.25Å; L441-R443 PolarHBondContact O-N 3.18Å; R443-S445 PolarHBondContact O-N 2.77Å | ||
| 444 | L | 41.5 | Very low | 32.2 | Very low | 43 Ų | 43 | 100.6 Ų | 100.6 | 23% | 0.225 | 58% | 0.575 | C | S | . | * | trans | -68.2 | 128 | -172.1 | -59.3 | 173.4 | 0 | 0 | 0 | 112.8 | S129 F442 S448 L449 | S129-L444 PolarHBondContact N-O 2.69Å; S129-L444 PolarHBondContact O-N 3.08Å; F442-L444 HydrophobicContact CB-CD2 4.13Å; F442-L444 PolarHBondContact O-N 3.46Å; F442-L444 VanDerWaalsContact O-N 3.15Å; L444-S448 WeakPolarHBondContact CA-OG 3.35Å; L444-S448 WeakPolarHBondContact CB-OG 3.2Å; L444-S448 WeakPolarHBondContact CD2-OG 3.49Å; L444-L449 HydrophobicContact CD1-CD2 3.76Å; L444-L449 HydrophobicContact CD1-CG 4.47Å | ||
| 445 | S | 51.2 | Low | 32.3 | Very low | 10 Ų | 10 | 104.3 Ų | 104.3 | 7% | 0.07 | 58% | 0.577 | C | S | . | * | trans | -74.9 | 162.2 | 154.3 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | R443 T447 S448 | R443-S445 PolarHBondContact O-N 2.77Å; S445-T447 PolarHBondContact O-N 2.84Å; S445-T447 PolarHBondContact OG-OG1 2.79Å; S445-S448 PolarHBondContact N-OG 2.84Å; S445-S448 PolarHBondContact O-N 2.84Å; S445-S448 VanDerWaalsContact O-N 3.13Å; S445-S448 PolarHBondContact O-OG 3.21Å; S445-S448 WeakPolarHBondContact OG-CB 3.45Å; S445-S448 PolarHBondContact OG-N 2.92Å; S445-S448 PolarHBondContact OG-OG 3.42Å | ||
| 446 | F | 51.1 | Low | 32.3 | Very low | 5 Ų | 5 | 105 Ų | 105 | 2% | 0.022 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -59.1 | -37.2 | 171 | -175 | -92.2 | 0 | 0 | 0 | 111.6 | F122 F123 A169 Y173 S448 L449 | F122-F446 HydrophobicContact CD1-CD2 4.42Å; F122-F446 HydrophobicContact CE1-CB 4.24Å; F122-F446 AromaticContact CE1-CD2 3.56Å; F122-F446 HydrophobicContact CE1-CD2 3.56Å; F122-F446 HydrophobicContact CE1-CE2 4.23Å; F122-F446 HydrophobicContact CE1-CG 4.12Å; F122-F446 HydrophobicContact CZ-CB 4.31Å; F122-F446 AromaticContact CZ-CD2 3.85Å; F122-F446 HydrophobicContact CZ-CD2 3.85Å; F122-F446 HydrophobicContact CZ-CG 4.48Å; F122-F446 WeakPolarHBondContact O-CB 3.28Å; F123-F446 AromaticContact CD1-CD1 3.7Å; F123-F446 HydrophobicContact CD1-CD1 3.7Å; F123-F446 HydrophobicContact CD1-CD2 4.27Å; F123-F446 AromaticContact CD1-CE1 3.6Å; F123-F446 HydrophobicContact CD1-CE1 3.6Å; F123-F446 HydrophobicContact CD1-CE2 4.17Å; F123-F446 HydrophobicContact CD1-CG 4.03Å; F123-F446 AromaticContact CD1-CZ 3.83Å; F123-F446 HydrophobicContact CD1-CZ 3.83Å; F123-F446 HydrophobicContact CE1-CD1 4.35Å; F123-F446 HydrophobicContact CE1-CD2 4.22Å; F123-F446 AromaticContact CE1-CE1 4Å; F123-F446 HydrophobicContact CE1-CE1 4Å; F123-F446 AromaticContact CE1-CE2 3.85Å; F123-F446 HydrophobicContact CE1-CE2 3.85Å; F123-F446 HydrophobicContact CE1-CG 4.45Å; F123-F446 AromaticContact CE1-CZ 3.71Å; F123-F446 HydrophobicContact CE1-CZ 3.71Å; A169-F446 HydrophobicContact CB-CE2 4.13Å; A169-F446 HydrophobicContact CB-CZ 3.86Å; Y173-F446 HydrophobicContact CE1-CE2 4.26Å; F446-S448 VanDerWaalsContact C-N 3.3Å; F446-S448 PolarHBondContact O-N 2.79Å; F446-L449 HydrophobicContact CD2-CD1 4.4Å; F446-L449 WeakPolarHBondContact O-CB 3.4Å; F446-L449 PolarHBondContact O-N 3Å; F446-L449 VanDerWaalsContact O-N 3.13Å |
| 447 | T | 51.9 | Low | 32.4 | Very low | 70 Ų | 70 | 110.4 Ų | 110.4 | 43% | 0.429 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -60.8 | -35 | 175.3 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | S445 L449 I450 | S445-T447 PolarHBondContact O-N 2.84Å; S445-T447 PolarHBondContact OG-OG1 2.79Å; T447-L449 VanDerWaalsContact C-N 3.25Å; T447-L449 PolarHBondContact O-N 3.14Å; T447-I450 WeakPolarHBondContact O-CB 3.18Å; T447-I450 PolarHBondContact O-N 3.26Å |
| 448 | S | 49.5 | Very low | 32.4 | Very low | 58 Ų | 58 | 109.1 Ų | 109.1 | 41% | 0.406 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -75.9 | -5.1 | 177 | 67.7 | 0 | 0 | 0 | 0 | 115.1 | L444 S445 F446 | L444-S448 WeakPolarHBondContact CA-OG 3.35Å; L444-S448 WeakPolarHBondContact CB-OG 3.2Å; L444-S448 WeakPolarHBondContact CD2-OG 3.49Å; S445-S448 PolarHBondContact N-OG 2.84Å; S445-S448 PolarHBondContact O-N 2.84Å; S445-S448 VanDerWaalsContact O-N 3.13Å; S445-S448 PolarHBondContact O-OG 3.21Å; S445-S448 WeakPolarHBondContact OG-CB 3.45Å; S445-S448 PolarHBondContact OG-N 2.92Å; S445-S448 PolarHBondContact OG-OG 3.42Å; F446-S448 VanDerWaalsContact C-N 3.3Å; F446-S448 PolarHBondContact O-N 2.79Å |
| 449 | L | 43.1 | Very low | 32.5 | Very low | 20 Ų | 20 | 103.4 Ų | 103.4 | 11% | 0.105 | 56% | 0.561 | C | S | . | * | G | 310 helix | trans | -83.8 | -15.8 | 168.5 | -69.4 | 164 | 0 | 0 | 0 | 112.3 | P170 Y173 L444 F446 T447 P451 | P170-L449 VanDerWaalsContact CD-O 3.28Å; P170-L449 WeakPolarHBondContact CD-O 3.5Å; P170-L449 HydrophobicContact CG-CB 4.47Å; P170-L449 WeakPolarHBondContact CG-O 3.36Å; Y173-L449 HydrophobicContact CD2-CD1 3.64Å; Y173-L449 HydrophobicContact CD2-CD2 4.15Å; Y173-L449 HydrophobicContact CE2-CD1 3.31Å; Y173-L449 HydrophobicContact CE2-CD2 4.45Å; Y173-L449 HydrophobicContact CG-CD1 4.39Å; L444-L449 HydrophobicContact CD1-CD2 3.76Å; L444-L449 HydrophobicContact CD1-CG 4.47Å; F446-L449 HydrophobicContact CD2-CD1 4.4Å; F446-L449 WeakPolarHBondContact O-CB 3.4Å; F446-L449 PolarHBondContact O-N 3Å; F446-L449 VanDerWaalsContact O-N 3.13Å; T447-L449 VanDerWaalsContact C-N 3.25Å; T447-L449 PolarHBondContact O-N 3.14Å; L449-P451 WeakPolarHBondContact O-CD 3.49Å |
| 450 | I | 36.1 | Very low | 32.7 | Very low | 54 Ų | 54 | 103.1 Ų | 103.1 | 28% | 0.277 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -83.1 | 117.1 | 179.1 | -49 | 172.9 | 0 | 0 | 0 | 107.5 | T447 Y452 | T447-I450 WeakPolarHBondContact O-CB 3.18Å; T447-I450 PolarHBondContact O-N 3.26Å; I450-Y452 PolarHBondContact O-N 3.13Å |
| 451 | P | 27.2 | Very low | 32.9 | Very low | 97 Ų | 97 | 104.4 Ų | 104.4 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | trans | -62.7 | 134.3 | 169.7 | -17.1 | 31.5 | 0 | 0 | 0 | 108.9 | L449 S453 | L449-P451 WeakPolarHBondContact O-CD 3.49Å; P451-S453 PolarHBondContact O-N 3.19Å | ||
| 452 | Y | 26.7 | Very low | 32.9 | Very low | 224 Ų | 224 | 104.9 Ų | 104.9 | 88% | 0.878 | 57% | 0.573 | S | S | * | * | trans | -64 | 95.1 | 176.6 | -76.2 | -87.2 | 0 | 0 | 0 | 110.5 | I450 S454 | I450-Y452 PolarHBondContact O-N 3.13Å; Y452-S454 PolarHBondContact O-N 3.3Å | ||
| 453 | S | 25.4 | Very low | 32.8 | Very low | 103 Ų | 103 | 102.7 Ų | 102.7 | 72% | 0.72 | 58% | 0.576 | S | S | * | * | trans | -60.7 | 124.9 | 154.8 | 51.7 | 0 | 0 | 0 | 0 | 107.6 | P451 L455 | P451-S453 PolarHBondContact O-N 3.19Å; S453-L455 PolarHBondContact O-N 2.95Å | ||
| 454 | S | 24.7 | Very low | 32.5 | Very low | 116 Ų | 116 | 101 Ų | 101 | 81% | 0.811 | 59% | 0.593 | S | S | * | * | trans | -53 | 105.7 | -168.8 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | Y452 S456 | Y452-S454 PolarHBondContact O-N 3.3Å; S454-S456 PolarHBondContact O-N 3.15Å | ||
| 455 | L | 23.4 | Very low | 32 | Very low | 148 Ų | 148 | 104 Ų | 104 | 78% | 0.775 | 62% | 0.624 | S | S | * | * | trans | -76 | 96.6 | 161.8 | -76.5 | 168.8 | 0 | 0 | 0 | 108 | S453 F457 | S453-L455 PolarHBondContact O-N 2.95Å; L455-F457 PolarHBondContact O-N 2.87Å | ||
| 456 | S | 25.5 | Very low | 30.7 | Very low | 98 Ų | 98 | 109.1 Ų | 109.1 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | trans | -59.9 | 119.5 | 164.9 | 45.3 | 0 | 0 | 0 | 0 | 109 | S454 D458 | S454-S456 PolarHBondContact O-N 3.15Å; S456-D458 PolarHBondContact O-N 3.01Å | ||
| 457 | F | 26.6 | Very low | 29.4 | Very low | 202 Ų | 202 | 114 Ų | 114 | 89% | 0.886 | 70% | 0.695 | S | S | * | * | trans | -75.8 | 115 | 168.9 | -92.7 | -98.4 | 0 | 0 | 0 | 108.8 | L455 G459 | L455-F457 PolarHBondContact O-N 2.87Å; F457-G459 PolarHBondContact O-N 2.85Å | ||
| 458 | D | 24.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 116.8 Ų | 116.8 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | -66.7 | 97.4 | 170 | -69.6 | -45 | 0 | 0 | 0 | 109.8 | S456 N460 | S456-D458 PolarHBondContact O-N 3.01Å; D458-N460 PolarHBondContact O-N 3.03Å | ||
| 459 | G | 25.9 | Very low | 27 | Very low | 77 Ų | 77 | 121.2 Ų | 121.2 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | -83.2 | 106.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F457 | F457-G459 PolarHBondContact O-N 2.85Š| ||
| 460 | N | 26.2 | Very low | 26.1 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -110.7 | 128.3 | 172.6 | -103.1 | -39.2 | 0 | 0 | 0 | 112 | D458 | D458-N460 PolarHBondContact O-N 3.03Š| ||
| 461 | N | 26.9 | Very low | 25.6 | Very low | 145 Ų | 145 | 132 Ų | 132 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | 62.8 | 82.8 | 160.9 | -58.6 | -27 | 0 | 0 | 0 | 118.6 | ||||
| 462 | I | 26 | Very low | 25.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -97.2 | 110.8 | 148.8 | -61.4 | 173.8 | 0 | 0 | 0 | 108.2 | ||||
| 463 | P | 25.1 | Very low | 25.5 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -71.6 | 125.7 | 161.4 | 30.2 | -31.1 | 0 | 0 | 0 | 108.6 | ||||
| 464 | G | 24.9 | Very low | 25.4 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -76.3 | 143.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 465 | A | 29.5 | Very low | 25.4 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -133.1 | 129 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 466 | S | 25.9 | Very low | 25.3 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 142.9 | -165.7 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 467 | S | 23.8 | Very low | 25.1 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -62 | 137 | 172.5 | 44.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 468 | T | 26.4 | Very low | 25 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -135.9 | 117.6 | 148.4 | 52.4 | 0 | 0 | 0 | 0 | 108.2 | P470 | T468-P470 WeakPolarHBondContact O-CD 3.43Š| ||
| 469 | L | 23.6 | Very low | 24.8 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -72 | 129.1 | 169.1 | -80.7 | 77.1 | 0 | 0 | 0 | 109 | ||||
| 470 | P | 25.2 | Very low | 24.7 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 109.6 | 155.6 | 31.6 | -26.1 | 0 | 0 | 0 | 108.3 | T468 | T468-P470 WeakPolarHBondContact O-CD 3.43Š| ||
| 471 | E | 24.5 | Very low | 24.6 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -68.1 | 172.3 | 173.6 | -70.2 | -164.7 | 105.5 | 0 | 0 | 112.8 | N473 | E471-N473 PolarHBondContact O-N 3.25Š| ||
| 472 | R | 23.8 | Very low | 24.4 | Very low | 246 Ų | 246 | 147.2 Ų | 147.2 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | trans | -46.6 | 122.9 | 172.7 | -69.9 | 170.1 | 168.4 | 163.5 | -4.8 | 111.3 | ||||
| 473 | N | 27.5 | Very low | 24.4 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -132.3 | 134 | 153.3 | -102.9 | -54.7 | 0 | 0 | 0 | 110.6 | E471 | E471-N473 PolarHBondContact O-N 3.25Š| ||
| 474 | S | 23.2 | Very low | 24.3 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -81 | 121.5 | -174.1 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 475 | F | 25.8 | Very low | 24.2 | Very low | 207 Ų | 207 | 146.1 Ų | 146.1 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | trans | -129.3 | 150 | 159.7 | -102 | -84.4 | 0 | 0 | 0 | 112.4 | ||||
| 476 | K | 20.6 | Very low | 23.8 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -137.2 | 98.2 | -146.5 | -176.9 | -172.9 | 177.3 | -175.9 | 0 | 112.1 | N478 | K476-N478 WeakPolarHBondContact CE-OD1 3.48Å; K476-N478 HydrophobicContact CG-CB 4.26Å | ||
| 477 | W | 22.4 | Very low | 23.8 | Very low | 259 Ų | 259 | 146 Ų | 146 | 98% | 0.981 | 78% | 0.783 | S | S | * | * | trans | -125.4 | 87.9 | 165 | -78.7 | 62 | 0 | 0 | 0 | 106.2 | ||||
| 478 | N | 22.9 | Very low | 23.7 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 58% | 0.583 | 79% | 0.79 | S | S | * | * | cis | 78.9 | 99.4 | 41.3 | -147.5 | 69.2 | 0 | 0 | 0 | 113.8 | K476 | K476-N478 WeakPolarHBondContact CE-OD1 3.48Å; K476-N478 HydrophobicContact CG-CB 4.26Å | ||
| 479 | C | 21.8 | Very low | 23.5 | Very low | 89 Ų | 89 | 149 Ų | 149 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | trans | 78.3 | 96.8 | 155 | -64.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 480 | N | 23.3 | Very low | 23.6 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | 58.6 | 109.8 | 111.5 | -53.4 | -13.8 | 0 | 0 | 0 | 120.1 | |||||
| 481 | R | 23.8 | Very low | 23.4 | Very low | 235 Ų | 235 | 155.2 Ų | 155.2 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | -153.1 | 131.9 | 116.8 | -125.5 | 177.5 | 176.2 | 138.4 | -2.2 | 112.9 | V483 | R481-V483 HydrophobicContact CG-CG2 4.11Š| |||
| 482 | A | 22.4 | Very low | 23.4 | Very low | 101 Ų | 101 | 153.9 Ų | 153.9 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -121.5 | 109 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 483 | V | 25.7 | Very low | 23.3 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | -151.3 | 133.7 | -176.9 | -178.2 | 0 | 0 | 0 | 0 | 107 | R481 | R481-V483 HydrophobicContact CG-CG2 4.11Š| ||
| 484 | S | 22.8 | Very low | 23.1 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | cis | -158.9 | 157.6 | -23.2 | 48 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 485 | T | 22.5 | Very low | 23 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -83.5 | 117.1 | -178.9 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 486 | S | 22.7 | Very low | 22.8 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -167 | 142.6 | 160.6 | 53.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 487 | S | 25.3 | Very low | 22.8 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | cis | -141 | 153.3 | 12.2 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 488 | I | 21.9 | Very low | 22.9 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 89% | 0.892 | 77% | 0.766 | S | S | * | * | trans | -87.2 | 127.7 | 157.2 | -64.4 | 167.3 | 0 | 0 | 0 | 107.1 | ||||
| 489 | D | 23 | Very low | 22.8 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 67% | 0.674 | 78% | 0.78 | S | S | * | * | trans | -158.1 | 162.6 | 147.1 | -155.6 | 8.9 | 0 | 0 | 0 | 113.3 | ||||
| 490 | R | 23.8 | Very low | 22.8 | Very low | 210 Ų | 210 | 145.1 Ų | 145.1 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | 67 | 85.4 | 163 | -52.1 | -165.4 | -179.1 | -173.6 | -4.6 | 118.5 | ||||
| 491 | Q | 21.1 | Very low | 22.7 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -57.6 | 133.5 | 146 | -58.7 | 172.8 | -7.5 | 0 | 0 | 111.1 | ||||
| 492 | V | 24.8 | Very low | 22.6 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -135 | 151.9 | 148.3 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 493 | S | 22.7 | Very low | 22.6 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -107.1 | 174.2 | -149.8 | 62.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 494 | S | 23.4 | Very low | 22.3 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 85.5 | 78.3 | 155.7 | -153.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 495 | C | 20 | Very low | 22.3 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -100 | 89.1 | 156.4 | -94.5 | 0 | 0 | 0 | 0 | 112 | R497 | C495-R497 PolarHBondContact O-N 3.25Š| ||
| 496 | R | 22.1 | Very low | 22.3 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | trans | -76 | 94.8 | 171.3 | -104.5 | -176.7 | 172.2 | 174.6 | -0.1 | 111.3 | K498 | R496-K498 PolarHBondContact O-N 2.95Š| ||
| 497 | R | 21.1 | Very low | 22.2 | Very low | 237 Ų | 237 | 147 Ų | 147 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -72 | 115.4 | 169.2 | -66.7 | 178.7 | 178.9 | 163.8 | -0.6 | 110.4 | C495 | C495-R497 PolarHBondContact O-N 3.25Š| ||
| 498 | K | 23.5 | Very low | 22.1 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | trans | -84.4 | 125.5 | 166.9 | -78.1 | -172 | 175.8 | -177 | 0 | 110 | R496 | R496-K498 PolarHBondContact O-N 2.95Š| ||
| 499 | L | 21.3 | Very low | 22.1 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -90.3 | 142.1 | 175.9 | -73.7 | 147.6 | 0 | 0 | 0 | 110.9 | ||||
| 500 | S | 22.1 | Very low | 22.1 | Very low | 84 Ų | 84 | 147 Ų | 147 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | trans | -161.5 | 84.8 | 159.9 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 501 | T | 21.5 | Very low | 22.1 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | 64.3 | 84.5 | 98 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 502 | H | 20.4 | Very low | 22.1 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | -74.5 | 120 | 166.3 | -82.3 | -72.8 | 0 | 0 | 0 | 111.1 | ||||
| 503 | S | 22.2 | Very low | 22 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -108.5 | 108.4 | 173.1 | 47 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 504 | Y | 20.7 | Very low | 22 | Very low | 162 Ų | 162 | 139 Ų | 139 | 64% | 0.635 | 75% | 0.75 | S | S | * | * | trans | -83.8 | 140.6 | 178.9 | -110.7 | -114 | 0 | 0 | 0 | 111.8 | S322 | S322-Y504 VanDerWaalsContact OG-CE1 3.32Å; S322-Y504 WeakPolarHBondContact OG-CE1 3.43Å; S322-Y504 PolarHBondContact OG-OH 3.19Å | ||
| 505 | V | 22.2 | Very low | 22 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -141.9 | 117 | 163.7 | -177.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 506 | P | 22.6 | Very low | 22.1 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | trans | -77.8 | 166.3 | 178.5 | -12.3 | 28.5 | 0 | 0 | 0 | 113.6 | ||||
| 507 | R | 21.7 | Very low | 22.1 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | trans | -140.3 | 113.1 | 169.2 | -75.1 | -168.9 | 174.9 | -176.5 | -1.3 | 114.2 | ||||
| 508 | H | 22.8 | Very low | 22.1 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 63% | 0.634 | 74% | 0.744 | S | S | * | * | trans | 30.9 | 118.5 | 139.8 | -49.2 | -57.5 | 0 | 0 | 0 | 120.7 | ||||
| 509 | F | 21 | Very low | 22.1 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 69% | 0.689 | 76% | 0.758 | S | S | * | * | trans | -86.5 | 149.1 | 147.3 | -77.5 | -95 | 0 | 0 | 0 | 110.4 | P302 Y303 | P302-F509 HydrophobicContact CB-CE1 3.95Å; P302-F509 HydrophobicContact CB-CZ 4.44Å; P302-F509 HydrophobicContact CG-CE1 3.96Å; P302-F509 HydrophobicContact CG-CZ 3.93Å; Y303-F509 HydrophobicContact CD2-CD1 4.31Å; Y303-F509 HydrophobicContact CD2-CE1 4.39Å; Y303-F509 HydrophobicContact CE2-CD1 4.25Å | ||
| 510 | S | 22.7 | Very low | 22.1 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | -141.9 | 102.6 | 173.8 | 57 | 0 | 0 | 0 | 0 | 110 | ||||
| 511 | G | 23.7 | Very low | 22.1 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -113.6 | 116.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 512 | T | 22.6 | Very low | 22.2 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -99.2 | 127.4 | 178.9 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 513 | I | 21.8 | Very low | 22.2 | Very low | 167 Ų | 167 | 135 Ų | 135 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | -121.8 | 133.2 | 168.6 | -63 | 177.9 | 0 | 0 | 0 | 107.8 | ||||
| 514 | S | 23.2 | Very low | 22.2 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -71.1 | 169.6 | -177.7 | 42.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 515 | R | 22.8 | Very low | 22.3 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 57% | 0.57 | 77% | 0.773 | S | S | * | * | trans | -147.9 | 136.6 | -170.1 | -154.1 | -174.1 | -167.7 | 175.7 | 7.6 | 110.7 | I1379 S1380 | R515-I1379 PolarHBondContact NH1-O 3.41Å; R515-I1379 PolarHBondContact NH2-O 3.34Å; R515-S1380 PolarHBondContact NH1-O 3.29Å | ||
| 516 | Q | 21.8 | Very low | 22.3 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -70.3 | 158.4 | 166.6 | -74.4 | 171.9 | -35.7 | 0 | 0 | 111.3 | ||||
| 517 | S | 22.2 | Very low | 22.3 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -114.4 | 146.3 | -170 | 46.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 518 | S | 21.8 | Very low | 22.3 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -140.9 | 136.3 | 165.1 | 59.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 519 | A | 22.4 | Very low | 22.2 | Very low | 107 Ų | 107 | 134 Ų | 134 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -72.4 | 161.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 520 | S | 22.3 | Very low | 22.2 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -134.8 | 124 | 172.3 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 521 | E | 22.7 | Very low | 22.1 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -86.7 | 169.6 | 175.9 | -63.5 | -168.8 | 124.1 | 0 | 0 | 112.3 | ||||
| 522 | V | 21.9 | Very low | 22 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -104.4 | 125.2 | -167.2 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 523 | V | 22 | Very low | 22 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -108.8 | 125.3 | 170.4 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 524 | N | 22.2 | Very low | 21.9 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -71.4 | 140 | -176.3 | -69.2 | -30.4 | 0 | 0 | 0 | 111.9 | ||||
| 525 | A | 22.7 | Very low | 21.8 | Very low | 83 Ų | 83 | 150.4 Ų | 150.4 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -86.6 | 137.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 526 | L | 21.3 | Very low | 21.7 | Very low | 155 Ų | 155 | 151.4 Ų | 151.4 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -115.5 | 134.1 | 174.6 | -149.4 | 76.2 | 0 | 0 | 0 | 109.4 | ||||
| 527 | D | 22.4 | Very low | 21.7 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 57% | 0.572 | 79% | 0.791 | S | S | * | * | trans | -78.7 | 131 | -170.4 | -176.8 | 28.6 | 0 | 0 | 0 | 113.3 | S529 | D527-S529 PolarHBondContact OD1-N 3.44Å; D527-S529 PolarHBondContact OD1-OG 3.41Å; D527-S529 PolarHBondContact OD2-OG 2.91Å | ||
| 528 | W | 21.4 | Very low | 21.7 | Very low | 227 Ų | 227 | 150.7 Ų | 150.7 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -132.3 | 45.8 | -171.1 | -96.1 | 41.7 | 0 | 0 | 0 | 111.4 | ||||
| 529 | S | 21.8 | Very low | 21.6 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 52% | 0.524 | 79% | 0.786 | S | S | . | * | trans | -79.2 | -14.7 | -176.3 | 47.4 | 0 | 0 | 0 | 0 | 115.5 | D527 R531 | D527-S529 PolarHBondContact OD1-N 3.44Å; D527-S529 PolarHBondContact OD1-OG 3.41Å; D527-S529 PolarHBondContact OD2-OG 2.91Å; S529-R531 PolarHBondContact O-N 2.82Å | ||
| 530 | N | 21.3 | Very low | 21.5 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -98.6 | 69 | -169.9 | -86.1 | -42.6 | 0 | 0 | 0 | 115.9 | ||||
| 531 | R | 20.5 | Very low | 21.4 | Very low | 215 Ų | 215 | 155.3 Ų | 155.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -145.4 | 83.1 | 156.4 | -75.6 | -160.4 | -178.8 | -163.3 | 0.9 | 112.2 | S529 F533 | S529-R531 PolarHBondContact O-N 2.82Å; R531-F533 PolarHBondContact O-N 3.3Å | ||
| 532 | K | 22.1 | Very low | 21.3 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | -73.3 | 119.3 | 165.8 | -67.6 | -173.4 | 175.7 | -174.2 | 0 | 109.4 | ||||
| 533 | F | 21.5 | Very low | 21.2 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -74.4 | 124.5 | 171.7 | -88.2 | -94.8 | 0 | 0 | 0 | 109.8 | R531 N535 | R531-F533 PolarHBondContact O-N 3.3Å; F533-N535 PolarHBondContact O-N 3.48Å; F533-N535 VanDerWaalsContact O-N 3.08Å | ||
| 534 | Y | 20.1 | Very low | 21.3 | Very low | 215 Ų | 215 | 157.4 Ų | 157.4 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -76.4 | 92.5 | 174.5 | -82.2 | -97.3 | 0 | 0 | 0 | 110 | Q536 | Y534-Q536 VanDerWaalsContact C-N 3.35Å; Y534-Q536 PolarHBondContact O-N 3.5Å | ||
| 535 | N | 21.7 | Very low | 21.2 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -67.6 | 98 | 158 | -80.1 | -17.6 | 0 | 0 | 0 | 107.8 | F533 E537 | F533-N535 PolarHBondContact O-N 3.48Å; F533-N535 VanDerWaalsContact O-N 3.08Å; N535-E537 PolarHBondContact O-N 3.39Å; N535-E537 VanDerWaalsContact O-N 3.17Å | ||
| 536 | Q | 20.6 | Very low | 21.3 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 109.9 | 170.6 | -73.7 | -176.2 | -27.8 | 0 | 0 | 108.8 | Y534 S538 | Y534-Q536 VanDerWaalsContact C-N 3.35Å; Y534-Q536 PolarHBondContact O-N 3.5Å; Q536-S538 VanDerWaalsContact C-N 3.3Å; Q536-S538 PolarHBondContact O-N 2.63Å | ||
| 537 | E | 21.1 | Very low | 21.3 | Very low | 181 Ų | 181 | 159.3 Ų | 159.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -63.4 | 91.8 | 168.1 | -65.2 | -175.6 | 138.4 | 0 | 0 | 109.1 | N535 T539 | N535-E537 PolarHBondContact O-N 3.39Å; N535-E537 VanDerWaalsContact O-N 3.17Å; E537-T539 VanDerWaalsContact C-N 3.35Å; E537-T539 PolarHBondContact O-N 2.78Å | ||
| 538 | S | 21.2 | Very low | 21.3 | Very low | 105 Ų | 105 | 158.7 Ų | 158.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -73.1 | 91.8 | 175 | 37.8 | 0 | 0 | 0 | 0 | 109.3 | Q536 I540 | Q536-S538 VanDerWaalsContact C-N 3.3Å; Q536-S538 PolarHBondContact O-N 2.63Å; S538-I540 VanDerWaalsContact C-N 3.26Å; S538-I540 PolarHBondContact O-N 2.98Å | ||
| 539 | T | 21 | Very low | 21.3 | Very low | 122 Ų | 122 | 155.3 Ų | 155.3 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -63 | 75.7 | 179.3 | 37.1 | 0 | 0 | 0 | 0 | 112.7 | E537 M541 | E537-T539 VanDerWaalsContact C-N 3.35Å; E537-T539 PolarHBondContact O-N 2.78Å; T539-M541 VanDerWaalsContact C-N 3.29Å; T539-M541 PolarHBondContact O-N 3Å | ||
| 540 | I | 20.4 | Very low | 21.3 | Very low | 163 Ų | 163 | 159 Ų | 159 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -72.1 | 91.9 | 164.7 | -59.5 | -176.5 | 0 | 0 | 0 | 107.6 | S538 | S538-I540 VanDerWaalsContact C-N 3.26Å; S538-I540 PolarHBondContact O-N 2.98Å | ||
| 541 | M | 19.9 | Very low | 21.3 | Very low | 152 Ų | 152 | 159 Ų | 159 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -48.5 | 150.9 | 177.8 | -80.5 | -75.3 | -150.2 | 0 | 0 | 113.5 | T539 Y543 | T539-M541 VanDerWaalsContact C-N 3.29Å; T539-M541 PolarHBondContact O-N 3Å; M541-Y543 PolarHBondContact O-N 2.97Å | ||
| 542 | N | 21.1 | Very low | 21.3 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -49.5 | 110.3 | 168.8 | -78.6 | -52.4 | 0 | 0 | 0 | 112.1 | N544 | N542-N544 VanDerWaalsContact C-N 3.31Å; N542-N544 PolarHBondContact O-N 2.85Å | ||
| 543 | Y | 19.4 | Very low | 21.3 | Very low | 210 Ų | 210 | 151.9 Ų | 151.9 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -95.6 | 63.1 | 155.6 | -96.7 | -82.4 | 0 | 0 | 0 | 110.8 | M541 S545 | M541-Y543 PolarHBondContact O-N 2.97Å; Y543-S545 PolarHBondContact O-N 3.33Å | ||
| 544 | N | 23.3 | Very low | 21.5 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -77.1 | 75 | 164.8 | -95.2 | -33.3 | 0 | 0 | 0 | 109.6 | N542 | N542-N544 VanDerWaalsContact C-N 3.31Å; N542-N544 PolarHBondContact O-N 2.85Å | ||
| 545 | S | 21.3 | Very low | 21.5 | Very low | 83 Ų | 83 | 142.7 Ų | 142.7 | 58% | 0.58 | 76% | 0.76 | S | S | * | * | trans | -133.7 | 109.2 | 171 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | Y543 | Y543-S545 PolarHBondContact O-N 3.33Š| ||
| 546 | K | 23.2 | Very low | 21.6 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -57.6 | 136.9 | 161.7 | -57.3 | 167.5 | -177.6 | 173.7 | 0 | 108.2 | ||||
| 547 | N | 22.7 | Very low | 21.7 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | 179.9 | 137.6 | 120.1 | -89.3 | -12.3 | 0 | 0 | 0 | 112.7 | |||||
| 548 | S | 22.3 | Very low | 22.2 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | 16.9 | 116.1 | 152.4 | 58.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 549 | L | 20.4 | Very low | 22.3 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | -132.2 | 108.5 | 130.3 | -145.5 | 84.9 | 0 | 0 | 0 | 109.3 | I551 | L549-I551 PolarHBondContact O-N 3.04Š| ||
| 550 | N | 22.1 | Very low | 22.3 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -76.8 | 120.1 | 174 | -70.7 | -29.9 | 0 | 0 | 0 | 109 | ||||
| 551 | I | 22.2 | Very low | 22.3 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -120.5 | 114.1 | 159.5 | -61.7 | -177.1 | 0 | 0 | 0 | 106.4 | L549 | L549-I551 PolarHBondContact O-N 3.04Š| ||
| 552 | S | 19.9 | Very low | 22.3 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | -114.8 | 130.3 | -161.3 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 553 | K | 22.6 | Very low | 22.3 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | 68.6 | 167.1 | 162.9 | -59.8 | -174 | 166.2 | -152.2 | 0 | 113.9 | S555 | K553-S555 WeakPolarHBondContact CD-OG 3.43Å; K553-S555 WeakPolarHBondContact CE-OG 3.45Å; K553-S555 PolarHBondContact NZ-OG 3.03Å; K553-S555 VanDerWaalsContact NZ-OG 3.09Å | ||
| 554 | P | 24.6 | Very low | 22.4 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | cis | -72.1 | 166.4 | 27.8 | 28.9 | -37.1 | 0 | 0 | 0 | 115.9 | ||||
| 555 | S | 20.8 | Very low | 22.3 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 46% | 0.455 | 77% | 0.771 | S | S | . | * | trans | -145.4 | 117 | -178.2 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | K553 | K553-S555 WeakPolarHBondContact CD-OG 3.43Å; K553-S555 WeakPolarHBondContact CE-OG 3.45Å; K553-S555 PolarHBondContact NZ-OG 3.03Å; K553-S555 VanDerWaalsContact NZ-OG 3.09Å | ||
| 556 | E | 24.3 | Very low | 22.2 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -161.9 | 137.8 | 169.8 | -100.5 | 163.6 | -136.5 | 0 | 0 | 107.2 | ||||
| 557 | N | 23 | Very low | 22.3 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | cis | -152.8 | 120.5 | -24.7 | -114.3 | -14.2 | 0 | 0 | 0 | 108.1 | ||||
| 558 | P | 31.5 | Very low | 22.2 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -105.6 | 120.8 | -176.7 | 35.1 | -29.1 | 0 | 0 | 0 | 113.7 | ||||
| 559 | S | 21.6 | Very low | 22.3 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -162.5 | 127.6 | 151.1 | -15.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 560 | V | 21.2 | Very low | 22.4 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | 27.6 | 113.7 | 134.6 | -170.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 561 | C | 21.1 | Very low | 22.4 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | -164.4 | 144.4 | 116.6 | -98.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 562 | S | 19.5 | Very low | 22.4 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -100.9 | 137.8 | 165.7 | 47.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 563 | S | 21.1 | Very low | 22.7 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 172.2 | 154.9 | 137.1 | 41.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 564 | S | 21.4 | Very low | 22.7 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -14 | 130 | 163.7 | 51 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 565 | C | 20.8 | Very low | 22.7 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -123.7 | 110.4 | 139.2 | -83.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 566 | S | 20.8 | Very low | 22.8 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -82 | 140.4 | 169.9 | 42.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 567 | L | 23.9 | Very low | 22.8 | Very low | 178 Ų | 178 | 133 Ų | 133 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -121 | 106.5 | 163.2 | -83.7 | 170.1 | 0 | 0 | 0 | 108.8 | ||||
| 568 | T | 21.2 | Very low | 22.8 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -137.9 | 113.8 | -179.4 | 47.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 569 | S | 23.8 | Very low | 22.5 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -162.8 | 90.8 | 168.7 | 54.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 570 | E | 22.6 | Very low | 23 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | 73.5 | 103.9 | 82.3 | -69.1 | -166.6 | 147.5 | 0 | 0 | 113.9 | |||||
| 571 | S | 22.2 | Very low | 23.2 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | 16.9 | 133.7 | 146.5 | 57.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 572 | Y | 23 | Very low | 23.5 | Very low | 234 Ų | 234 | 134.1 Ų | 134.1 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | -150.5 | 146.7 | 126 | -97.8 | -74.4 | 0 | 0 | 0 | 110.9 | |||||
| 573 | P | 26.3 | Very low | 23.6 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -115.6 | 155.6 | -172.9 | 39.9 | -30.2 | 0 | 0 | 0 | 115.7 | ||||
| 574 | R | 22.9 | Very low | 23.7 | Very low | 218 Ų | 218 | 134.9 Ų | 134.9 | 82% | 0.823 | 76% | 0.763 | S | S | * | * | trans | 58.3 | 140.5 | 166.5 | -82.8 | 178.9 | 170.8 | -177.2 | -0.7 | 117.6 | V576 | R574-V576 HydrophobicContact CG-CG2 4.28Š| ||
| 575 | P | 24.4 | Very low | 23.9 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | -113.9 | 161.1 | 106.1 | 32.9 | -35.4 | 0 | 0 | 0 | 112.6 | |||||
| 576 | V | 21.6 | Very low | 24 | Very low | 107 Ų | 107 | 137 Ų | 137 | 65% | 0.648 | 76% | 0.756 | S | S | * | * | trans | -122.5 | 124.3 | 166.4 | 170.7 | 0 | 0 | 0 | 0 | 107.4 | R574 | R574-V576 HydrophobicContact CG-CG2 4.28Š| ||
| 577 | S | 25.5 | Very low | 24.1 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -142.2 | 101 | 162.4 | 50.5 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 578 | A | 22.3 | Very low | 24.1 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 55% | 0.554 | 76% | 0.756 | S | S | * | * | 65.2 | 116.9 | 59 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 579 | D | 25.7 | Very low | 24.2 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 59.5 | 107.8 | 151.3 | -42.8 | -29.5 | 0 | 0 | 0 | 118.4 | ||||
| 580 | D | 31.2 | Very low | 24.3 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | -171 | 108.9 | 118.5 | -94.3 | -21.9 | 0 | 0 | 0 | 109.5 | |||||
| 581 | E | 25.5 | Very low | 24.2 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | -74.6 | 147.6 | 160.1 | -74.4 | -170.1 | 140.1 | 0 | 0 | 109.1 | L583 | E581-L583 WeakPolarHBondContact OE2-CD1 3.4Š| ||
| 582 | P | 27.5 | Very low | 24.3 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | -125.1 | 122.4 | 121.9 | 34.2 | -30 | 0 | 0 | 0 | 112.2 | |||||
| 583 | L | 22.5 | Very low | 24.3 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 61% | 0.613 | 76% | 0.759 | S | S | * | * | trans | -45.5 | 153.5 | 141.9 | -87.4 | 64.5 | 0 | 0 | 0 | 108.6 | E581 | E581-L583 WeakPolarHBondContact OE2-CD1 3.4Š| ||
| 584 | D | 22.6 | Very low | 24.3 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | -172.8 | 176.1 | 68.6 | -135.8 | -35.9 | 0 | 0 | 0 | 115.7 | |||||
| 585 | H | 24.8 | Very low | 24.3 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | trans | 70.2 | 91.9 | 154.1 | -63.4 | -1.9 | 0 | 0 | 0 | 118.2 | ||||
| 586 | T | 24 | Very low | 24.4 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -66.1 | 174.5 | 140.4 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 587 | Q | 23.7 | Very low | 24.4 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 100.3 | 169.2 | 168.7 | -53.3 | -166.6 | 4.9 | 0 | 0 | 117.9 | ||||
| 588 | F | 22.8 | Very low | 24.4 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 66.9 | 103 | -160.3 | -52.9 | -70.8 | 0 | 0 | 0 | 114.1 | ||||
| 589 | L | 24.3 | Very low | 24.4 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | cis | 61.9 | 95 | 13.7 | -122 | -175.9 | 0 | 0 | 0 | 114.7 | ||||
| 590 | L | 24.2 | Very low | 24.2 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -162 | 151.1 | 152 | -110.7 | 170.1 | 0 | 0 | 0 | 110 | ||||
| 591 | T | 22.1 | Very low | 23.7 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -131 | 148.3 | -168.6 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 592 | S | 23 | Very low | 23.5 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 167.9 | 154.2 | 154.1 | 42.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 593 | K | 24 | Very low | 23.1 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | cis | -152.3 | 136.6 | 5.8 | -137.2 | 169.6 | -177.5 | 177.8 | 0 | 110.9 | ||||
| 594 | S | 24.9 | Very low | 23 | Very low | 92 Ų | 92 | 150 Ų | 150 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | trans | 37.7 | 106.1 | 151.7 | 58.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 595 | D | 24 | Very low | 23 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | 24.2 | 122.8 | 124.2 | -42.1 | -50.1 | 0 | 0 | 0 | 119.8 | |||||
| 596 | L | 26.8 | Very low | 22.7 | Very low | 183 Ų | 183 | 156.4 Ų | 156.4 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | -148.8 | 125.3 | 136.6 | -112.1 | 173.9 | 0 | 0 | 0 | 109.4 | ||||
| 597 | S | 21.7 | Very low | 22.6 | Very low | 91 Ų | 91 | 155.7 Ų | 155.7 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | trans | -96.6 | 148.8 | -165.3 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 598 | N | 24.6 | Very low | 22.6 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | 46.2 | 110.1 | 145 | -57 | -16.8 | 0 | 0 | 0 | 118.7 | ||||
| 599 | L | 22.4 | Very low | 22.7 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | trans | -143.4 | 153.3 | 142.4 | -112.8 | 155.6 | 0 | 0 | 0 | 110.3 | ||||
| 600 | Y | 22 | Very low | 22.9 | Very low | 209 Ų | 209 | 151.7 Ų | 151.7 | 82% | 0.82 | 82% | 0.815 | S | S | * | * | trans | -111.5 | 159.6 | -157.5 | -117.4 | -126.6 | 0 | 0 | 0 | 112.2 | ||||
| 601 | V | 20.6 | Very low | 22.9 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 68% | 0.679 | 81% | 0.806 | S | S | * | * | trans | 64.7 | 116.3 | 159.7 | 174.5 | 0 | 0 | 0 | 0 | 116.8 | E603 | V601-E603 HydrophobicContact CG1-CG 4.19Š| ||
| 602 | C | 20.2 | Very low | 23.3 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -80 | 133.7 | 154.4 | -46 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 603 | E | 20.8 | Very low | 23.3 | Very low | 189 Ų | 189 | 153.2 Ų | 153.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -110.8 | 151.4 | 148.6 | -78.3 | -171.9 | 136.7 | 0 | 0 | 109.5 | V601 | V601-E603 HydrophobicContact CG1-CG 4.19Š| ||
| 604 | L | 20.5 | Very low | 23.5 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -102.6 | 129 | -177.4 | -69.8 | 144.8 | 0 | 0 | 0 | 107.8 | ||||
| 605 | D | 21.3 | Very low | 24.4 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -172.9 | 113.2 | 143.2 | -98.9 | -23.9 | 0 | 0 | 0 | 110 | ||||
| 606 | W | 20.1 | Very low | 24.2 | Very low | 262 Ų | 262 | 150.1 Ų | 150.1 | 99% | 0.992 | 80% | 0.804 | S | S | * | * | trans | -142 | 111.2 | 166.3 | -88.4 | 80.4 | 0 | 0 | 0 | 109.1 | ||||
| 607 | S | 21.2 | Very low | 24.1 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -113.6 | -170.4 | 173 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 608 | A | 23.6 | Very low | 24.1 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 76.2 | 145.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 609 | D | 24.2 | Very low | 23.9 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | trans | -92.8 | 144.6 | -176.8 | -75.1 | -125.9 | 0 | 0 | 0 | 112.1 | K611 | D609-K611 WeakPolarHBondContact OD1-CE 3.41Å; D609-K611 IonicContact OD1-NZ 2.77Å; D609-K611 PolarHBondContact OD1-NZ 2.84Å | ||
| 610 | E | 28.3 | Very low | 23.9 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -110.5 | 112.5 | 155.4 | -73.2 | -172.8 | 148.8 | 0 | 0 | 109.8 | ||||
| 611 | K | 25.3 | Very low | 23.8 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | -113.4 | 64.8 | 177.9 | -73.8 | -170.4 | -174.1 | 89.1 | 0 | 112.4 | D609 T613 | D609-K611 WeakPolarHBondContact OD1-CE 3.41Å; D609-K611 IonicContact OD1-NZ 2.77Å; D609-K611 PolarHBondContact OD1-NZ 2.84Å; K611-T613 PolarHBondContact O-N 2.91Å | ||
| 612 | D | 29.7 | Very low | 23.9 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 109.1 | 171.7 | -100.4 | -32.6 | 0 | 0 | 0 | 112.3 | ||||
| 613 | T | 24.2 | Very low | 24 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -143.5 | 110.4 | 167.1 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | K611 | K611-T613 PolarHBondContact O-N 2.91Š| ||
| 614 | S | 27.2 | Very low | 24.1 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 179.3 | 176.7 | 146.3 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 615 | P | 44.5 | Very low | 24.1 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | -139.3 | -164.8 | -70.8 | 43 | -26.9 | 0 | 0 | 0 | 114.4 | |||||
| 616 | M | 19.1 | Very low | 24.2 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 76.7 | 99.6 | 153 | -68.9 | -70.6 | -76.2 | 0 | 0 | 120.8 | V618 | M616-V618 HydrophobicContact CE-CG2 3.98Å; M616-V618 HydrophobicContact SD-CG2 3.46Å; M616-V618 WeakPolarHBondContact SD-CG2 3.36Å | ||
| 617 | S | 25.7 | Very low | 24.3 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | -144.9 | 134.8 | 124.2 | 64.6 | 0 | 0 | 0 | 0 | 109 | |||||
| 618 | V | 20.1 | Very low | 24.2 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 62% | 0.624 | 79% | 0.79 | S | S | * | * | trans | -143.5 | 155.5 | -162.5 | -159.7 | 0 | 0 | 0 | 0 | 111.6 | M616 | M616-V618 HydrophobicContact CE-CG2 3.98Å; M616-V618 HydrophobicContact SD-CG2 3.46Å; M616-V618 WeakPolarHBondContact SD-CG2 3.36Å | ||
| 619 | I | 21.6 | Very low | 24.1 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | 69 | 113.9 | 168.8 | -32.3 | 175.3 | 0 | 0 | 0 | 116.5 | ||||
| 620 | S | 21.5 | Very low | 24.2 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | 172.5 | 88.8 | 116.3 | -77.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 621 | I | 21.2 | Very low | 23.9 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 23.5 | 116.9 | 130.1 | -49.5 | 160 | 0 | 0 | 0 | 117.9 | ||||
| 622 | K | 22.7 | Very low | 23.8 | Very low | 195 Ų | 195 | 146.5 Ų | 146.5 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | -168.2 | 114.8 | 121.2 | -105.6 | 157.3 | -170.4 | 172.2 | 0 | 113.4 | |||||
| 623 | K | 21.8 | Very low | 23.4 | Very low | 216 Ų | 216 | 149.8 Ų | 149.8 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 116.5 | 155.8 | -74.1 | 176.6 | 177.6 | 172.2 | 0 | 107.7 | ||||
| 624 | S | 21.9 | Very low | 23.4 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -118.1 | 109.8 | 173.6 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 625 | K | 21.1 | Very low | 23.6 | Very low | 215 Ų | 215 | 148.7 Ų | 148.7 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | trans | -86.6 | 115.9 | 166.8 | -92 | -174.6 | 171 | -176.8 | 0 | 109.4 | ||||
| 626 | Q | 22.6 | Very low | 22.5 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -163.7 | 142.2 | 165.8 | -102.1 | 174.3 | 4.8 | 0 | 0 | 105.7 | ||||
| 627 | T | 22.2 | Very low | 22.5 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | cis | -145.8 | 138.7 | 1 | 33.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 628 | L | 20.8 | Very low | 22.3 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -151 | 136 | 131.3 | -158.6 | 70.5 | 0 | 0 | 0 | 108.7 | ||||
| 629 | T | 21.7 | Very low | 22.4 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 63% | 0.626 | 79% | 0.794 | S | S | * | * | trans | -131.6 | 131.1 | -168.3 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 630 | N | 24.8 | Very low | 22.3 | Very low | 144 Ų | 144 | 152.7 Ų | 152.7 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | 163.1 | 115.7 | 127.1 | -79.3 | -16.3 | 0 | 0 | 0 | 113.4 | |||||
| 631 | Q | 22.2 | Very low | 22.2 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | 18.2 | 126.5 | 140.2 | -54.6 | 178.1 | 1 | 0 | 0 | 121 | ||||
| 632 | I | 23.9 | Very low | 22.3 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -179.8 | 95.1 | 130.2 | -88.4 | 148.6 | 0 | 0 | 0 | 104.8 | ||||
| 633 | R | 21.5 | Very low | 22.3 | Very low | 234 Ų | 234 | 157 Ų | 157 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | 78.7 | 113.8 | 80.4 | -164.6 | 172 | -173 | 163.6 | 2.7 | 114 | |||||
| 634 | S | 23 | Very low | 22.3 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -48.2 | 155 | 167.6 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 635 | P | 31 | Very low | 22.2 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | -134.6 | 179.8 | 60.9 | 25 | -0.2 | 0 | 0 | 0 | 113.4 | |||||
| 636 | F | 21.6 | Very low | 22.3 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | cis | -138.3 | 165.8 | 28.7 | -104.1 | -90.8 | 0 | 0 | 0 | 114.3 | ||||
| 637 | M | 18.9 | Very low | 22.3 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | -131.3 | 163.9 | 171.9 | -129.4 | -65.4 | -174.2 | 0 | 0 | 109.4 | ||||
| 638 | S | 22.4 | Very low | 22.3 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 52.7 | 109.4 | 161.9 | 62.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 639 | S | 21.7 | Very low | 22.5 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -153.4 | 113.8 | 133.4 | -85.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 640 | I | 20.3 | Very low | 22.5 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | 58.8 | 99.7 | 101.9 | -58.2 | 160.4 | 0 | 0 | 0 | 110.1 | |||||
| 641 | N | 19.7 | Very low | 22.5 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | cis | 71.3 | 46.6 | 31.9 | -141.1 | 55.6 | 0 | 0 | 0 | 114.5 | ||||
| 642 | Q | 21.7 | Very low | 22.4 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -162.2 | 113.5 | 157.4 | -117.3 | 173.5 | -6 | 0 | 0 | 110.8 | ||||
| 643 | F | 23.8 | Very low | 22.4 | Very low | 212 Ų | 212 | 155.8 Ų | 155.8 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | -171 | 126.7 | 127 | -110.4 | -70.7 | 0 | 0 | 0 | 109.6 | |||||
| 644 | N | 20.6 | Very low | 22.4 | Very low | 123 Ų | 123 | 152.6 Ų | 152.6 | 66% | 0.658 | 79% | 0.792 | S | S | * | * | trans | -90.8 | 156 | -178.2 | -89.4 | 30 | 0 | 0 | 0 | 111.9 | ||||
| 645 | E | 20.7 | Very low | 22.3 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | trans | 42.8 | 125.3 | 137.6 | -58.1 | 162.8 | 127.8 | 0 | 0 | 119.5 | ||||
| 646 | T | 22.9 | Very low | 21.9 | Very low | 130 Ų | 130 | 161.1 Ų | 161.1 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | -178.9 | 161.7 | 102.7 | 26.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 647 | T | 23.4 | Very low | 21.9 | Very low | 138 Ų | 138 | 159.4 Ų | 159.4 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | 67.5 | 102 | 163.1 | 47.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 648 | E | 20.9 | Very low | 22 | Very low | 164 Ų | 164 | 159.9 Ų | 159.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -54 | 151 | 162.8 | -43.9 | 165.2 | 121.1 | 0 | 0 | 114.4 | ||||
| 649 | I | 25 | Very low | 22.1 | Very low | 167 Ų | 167 | 162.7 Ų | 162.7 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -130.1 | 136.5 | 141.1 | -63.5 | -175.8 | 0 | 0 | 0 | 107.3 | ||||
| 650 | K | 21.9 | Very low | 22.1 | Very low | 174 Ų | 174 | 164.4 Ų | 164.4 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -82.7 | 129.8 | -164.9 | -62 | 174.5 | -179.2 | 177.7 | 0 | 112.6 | ||||
| 651 | N | 24.8 | Very low | 22.1 | Very low | 160 Ų | 160 | 165 Ų | 165 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -105 | 131.6 | 163.9 | -77.1 | -33.6 | 0 | 0 | 0 | 109.5 | ||||
| 652 | H | 21.6 | Very low | 22.2 | Very low | 191 Ų | 191 | 162 Ų | 162 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | trans | -85.4 | 138 | 174.7 | -89.1 | -72.3 | 0 | 0 | 0 | 111.9 | ||||
| 653 | H | 23.1 | Very low | 22.2 | Very low | 181 Ų | 181 | 161.7 Ų | 161.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -85.1 | 141.2 | 166.5 | -75.7 | -84.3 | 0 | 0 | 0 | 111.3 | ||||
| 654 | I | 21.3 | Very low | 22.1 | Very low | 168 Ų | 168 | 159.6 Ų | 159.6 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | -131.7 | 136.1 | 144.4 | -63.1 | -174.2 | 0 | 0 | 0 | 108.8 | ||||
| 655 | Y | 20.1 | Very low | 22.2 | Very low | 195 Ų | 195 | 163.3 Ų | 163.3 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -50.9 | 141.4 | -170 | -77 | -101 | 0 | 0 | 0 | 117.5 | K657 | Y655-K657 HydrophobicContact CD1-CG 4.26Š| ||
| 656 | Q | 23.1 | Very low | 22.3 | Very low | 187 Ų | 187 | 159 Ų | 159 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -116 | 129.2 | 133.1 | -72.1 | -173.8 | -24 | 0 | 0 | 107.9 | E658 | Q656-E658 PolarHBondContact O-N 2.88Š| ||
| 657 | K | 21.9 | Very low | 22.4 | Very low | 163 Ų | 163 | 160.2 Ų | 160.2 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | trans | -87.1 | 97 | 174.8 | -92.1 | -171.6 | 171.4 | -176.1 | 0 | 109.7 | Y655 | Y655-K657 HydrophobicContact CD1-CG 4.26Š| ||
| 658 | E | 22.2 | Very low | 22.2 | Very low | 174 Ų | 174 | 163.7 Ų | 163.7 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -75.1 | 124.7 | 157.2 | -64.7 | -173.9 | 125.1 | 0 | 0 | 107.8 | Q656 | Q656-E658 PolarHBondContact O-N 2.88Š| ||
| 659 | H | 22.5 | Very low | 22.3 | Very low | 160 Ų | 160 | 161.5 Ų | 161.5 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -96.5 | 91.7 | 172.7 | -100.8 | -80.2 | 0 | 0 | 0 | 108.4 | L661 | H659-L661 PolarHBondContact O-N 3.04Š| ||
| 660 | D | 22 | Very low | 22.3 | Very low | 142 Ų | 142 | 160.3 Ų | 160.3 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -60.7 | 127 | 168.4 | -81.7 | -48.1 | 0 | 0 | 0 | 110.3 | ||||
| 661 | L | 21 | Very low | 22.3 | Very low | 154 Ų | 154 | 157 Ų | 157 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -122.9 | 71.6 | 164.1 | -87.1 | 170.5 | 0 | 0 | 0 | 108.7 | H659 I663 | H659-L661 PolarHBondContact O-N 3.04Å; L661-I663 VanDerWaalsContact C-N 3.29Å; L661-I663 PolarHBondContact O-N 3.38Å | ||
| 662 | S | 20.9 | Very low | 22.2 | Very low | 98 Ų | 98 | 156.7 Ų | 156.7 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -63.5 | 89.9 | 161.8 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | E664 | S662-E664 VanDerWaalsContact C-N 3.35Å; S662-E664 PolarHBondContact O-N 3.24Å | ||
| 663 | I | 23.2 | Very low | 22.4 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 96.2 | 168.1 | -60.1 | -179.7 | 0 | 0 | 0 | 107.3 | L661 | L661-I663 VanDerWaalsContact C-N 3.29Å; L661-I663 PolarHBondContact O-N 3.38Å | ||
| 664 | E | 22.2 | Very low | 22.5 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 160 | 172.3 | -63.4 | -170.6 | 119.1 | 0 | 0 | 111.3 | S662 G666 | S662-E664 VanDerWaalsContact C-N 3.35Å; S662-E664 PolarHBondContact O-N 3.24Å; E664-G666 PolarHBondContact O-N 2.96Å; E664-G666 VanDerWaalsContact O-N 3.14Å | ||
| 665 | K | 22.1 | Very low | 22.5 | Very low | 201 Ų | 201 | 152 Ų | 152 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -77.4 | 98.5 | 174.4 | -66.4 | 175.9 | 179 | 177.7 | 0 | 109 | D667 | K665-D667 PolarHBondContact O-N 2.89Š| ||
| 666 | G | 23.3 | Very low | 22.6 | Very low | 66 Ų | 66 | 151.1 Ų | 151.1 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 126.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | E664 | E664-G666 PolarHBondContact O-N 2.96Å; E664-G666 VanDerWaalsContact O-N 3.14Å |
| 667 | D | 24.5 | Very low | 22.6 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69 | 146.3 | -179.9 | -74.1 | -57.3 | 0 | 0 | 0 | 112.4 | K665 P669 | K665-D667 PolarHBondContact O-N 2.89Å; D667-P669 WeakPolarHBondContact O-CD 3.13Å |
| 668 | Y | 19.6 | Very low | 22.6 | Very low | 211 Ų | 211 | 152.7 Ų | 152.7 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74 | 124 | 178.3 | -80.3 | -99.8 | 0 | 0 | 0 | 110.5 | T670 | Y668-T670 PolarHBondContact O-N 3.46Š|
| 669 | P | 22.3 | Very low | 22.4 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -71.7 | 102.3 | 175.5 | 28.5 | -33.2 | 0 | 0 | 0 | 110.4 | D667 S671 | D667-P669 WeakPolarHBondContact O-CD 3.13Å; P669-S671 PolarHBondContact O-N 3.14Å | ||
| 670 | T | 24.3 | Very low | 22.3 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 92.3 | 174.4 | 54.4 | 0 | 0 | 0 | 0 | 111 | Y668 | Y668-T670 PolarHBondContact O-N 3.46Š| ||
| 671 | S | 23.4 | Very low | 22.3 | Very low | 104 Ų | 104 | 155.9 Ų | 155.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -136.2 | 99.8 | 166.2 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | P669 D673 | P669-S671 PolarHBondContact O-N 3.14Å; S671-D673 PolarHBondContact O-N 2.98Å | ||
| 672 | I | 22.2 | Very low | 22.4 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 114.3 | 156.4 | -66.3 | 169 | 0 | 0 | 0 | 105.6 | ||||
| 673 | D | 24.7 | Very low | 22.5 | Very low | 140 Ų | 140 | 156.9 Ų | 156.9 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -179.2 | 90.5 | 152.4 | -95.7 | -21.8 | 0 | 0 | 0 | 109.6 | S671 | S671-D673 PolarHBondContact O-N 2.98Š| ||
| 674 | N | 25.7 | Very low | 22.4 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -177.7 | 83.2 | 152.6 | -97.4 | -49.3 | 0 | 0 | 0 | 107.8 | ||||
| 675 | I | 20.7 | Very low | 22.4 | Very low | 130 Ų | 130 | 157.5 Ų | 157.5 | 67% | 0.667 | 80% | 0.797 | S | S | * | * | trans | -80.3 | 139.7 | -178.3 | -76.7 | 172.2 | 0 | 0 | 0 | 110.4 | ||||
| 676 | E | 22 | Very low | 22.2 | Very low | 176 Ų | 176 | 157.2 Ų | 157.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 35.4 | 94.2 | 156.9 | -62.1 | 166.6 | 179.4 | 0 | 0 | 118.6 | ||||
| 677 | Q | 23.8 | Very low | 22.1 | Very low | 166 Ų | 166 | 160.2 Ų | 160.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -131.9 | 151.5 | 139.7 | -68.8 | -163.8 | -3.6 | 0 | 0 | 110.3 | ||||
| 678 | Y | 21.3 | Very low | 21.8 | Very low | 217 Ų | 217 | 160.6 Ų | 160.6 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | 69.7 | 51.9 | 177.9 | -57.9 | -78.1 | 0 | 0 | 0 | 117.1 | ||||
| 679 | A | 19.3 | Very low | 21.8 | Very low | 88 Ų | 88 | 158.1 Ų | 158.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -73.5 | 147.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 680 | Y | 20.6 | Very low | 21.8 | Very low | 207 Ų | 207 | 158.2 Ų | 158.2 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 46.9 | 116.9 | 168 | -72.7 | -83.2 | 0 | 0 | 0 | 120.5 | ||||
| 681 | R | 21.1 | Very low | 21.7 | Very low | 247 Ų | 247 | 155.7 Ų | 155.7 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | -153.3 | 112.6 | 121.2 | -109.1 | 167.4 | -161.9 | -172.3 | 3.9 | 110.8 | |||||
| 682 | I | 22.3 | Very low | 21.5 | Very low | 129 Ų | 129 | 156.3 Ų | 156.3 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | trans | -88.7 | 133.5 | 160.9 | -64 | 169.2 | 0 | 0 | 0 | 105.7 | ||||
| 683 | D | 23.7 | Very low | 21.4 | Very low | 145 Ų | 145 | 154.9 Ų | 154.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -152.5 | 137.2 | 156.2 | -126 | -36.1 | 0 | 0 | 0 | 111.7 | ||||
| 684 | N | 21.4 | Very low | 21.1 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -103.1 | 106 | -176.9 | -82.2 | -59.9 | 0 | 0 | 0 | 110.1 | ||||
| 685 | Q | 21.6 | Very low | 21 | Very low | 188 Ų | 188 | 148.8 Ų | 148.8 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -124.8 | 126.8 | 164.3 | -67.9 | -162 | -3.1 | 0 | 0 | 112.1 | ||||
| 686 | K | 19.1 | Very low | 21.1 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -82.7 | 153.4 | 174.7 | -72.3 | 174.7 | 177.6 | 169.9 | 0 | 110.2 | ||||
| 687 | T | 19.9 | Very low | 21.1 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | 55.1 | 114.3 | 155.4 | 47.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 688 | I | 19.1 | Very low | 21 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | -156 | 147.3 | 112.5 | -98.7 | 149.6 | 0 | 0 | 0 | 108.4 | |||||
| 689 | I | 19.4 | Very low | 21 | Very low | 159 Ų | 159 | 143 Ų | 143 | 82% | 0.815 | 74% | 0.735 | S | S | * | * | trans | -100.5 | 120.5 | 175.8 | -62.7 | 169.9 | 0 | 0 | 0 | 107.9 | ||||
| 690 | P | 22.8 | Very low | 21.1 | Very low | 120 Ų | 120 | 147 Ų | 147 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -77.6 | 137.9 | 167 | 31.7 | -31.7 | 0 | 0 | 0 | 110.2 | ||||
| 691 | A | 20.7 | Very low | 21.1 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -132.4 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 692 | C | 19.7 | Very low | 21.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | 73.3 | 148.5 | -167 | -69.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 693 | N | 20.4 | Very low | 21.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | cis | -140.3 | 168.2 | 1.4 | -125.7 | -3.5 | 0 | 0 | 0 | 114.1 | ||||
| 694 | Y | 19.6 | Very low | 21.3 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 52% | 0.522 | 74% | 0.737 | S | S | . | * | trans | -61.2 | 157.2 | -172.2 | -94.4 | -109.2 | 0 | 0 | 0 | 115.8 | Q1588 | Y694-Q1588 PolarHBondContact O-NE2 3.48Š| ||
| 695 | N | 21.9 | Very low | 21.4 | Very low | 52 Ų | 52 | 139.6 Ų | 139.6 | 28% | 0.278 | 74% | 0.736 | S | S | . | * | trans | 165.3 | 139.4 | 148.4 | -91.9 | 11.8 | 0 | 0 | 0 | 113.3 | V1586 N1587 Q1588 | N695-V1586 VanDerWaalsContact CB-C 3.44Å; N695-V1586 HydrophobicContact CB-CB 3.72Å; N695-V1586 HydrophobicContact CB-CG1 3.51Å; N695-V1586 HydrophobicContact CB-CG2 3.78Å; N695-V1586 VanDerWaalsContact ND2-CG1 3.27Å; N695-V1586 WeakPolarHBondContact ND2-CG1 3.44Å; N695-V1586 WeakPolarHBondContact O-CG2 3.46Å; N695-N1587 WeakPolarHBondContact CA-O 3.49Å; N695-N1587 VanDerWaalsContact CG-C 3.45Å; N695-N1587 WeakPolarHBondContact ND2-CA 3.47Å; N695-N1587 WeakPolarHBondContact OD1-CA 3.33Å; N695-N1587 PolarHBondContact OD1-O 3.3Å; N695-Q1588 VanDerWaalsContact OD1-CA 3.26Å; N695-Q1588 WeakPolarHBondContact OD1-CA 3.47Å; N695-Q1588 WeakPolarHBondContact OD1-CB 3.44Å; N695-Q1588 WeakPolarHBondContact OD1-CG 3.33Å; N695-Q1588 PolarHBondContact OD1-N 2.93Å; N695-Q1588 PolarHBondContact OD1-NE2 3.33Å | ||
| 696 | T | 23.5 | Very low | 21.5 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 58% | 0.577 | 73% | 0.725 | S | S | * | * | cis | 91.2 | 86.1 | -25.7 | 68.4 | 0 | 0 | 0 | 0 | 128.2 | N1587 | T696-N1587 CarbonylContact C-O 3.56Å; T696-N1587 VanDerWaalsContact C-O 3.3Å; T696-N1587 VanDerWaalsContact CA-O 3.3Å; T696-N1587 WeakPolarHBondContact CA-O 3.46Å; T696-N1587 WeakPolarHBondContact CB-O 3.42Å; T696-N1587 CarbonylContact O-C 3.53Å; T696-N1587 WeakPolarHBondContact O-CA 3.22Å; T696-N1587 VanDerWaalsContact O-CB 3.3Å; T696-N1587 WeakPolarHBondContact O-CB 3.45Å; T696-N1587 PolarHBondContact O-N 3.31Å; T696-N1587 PolarHBondContact OG1-O 3.28Å | ||
| 697 | Q | 21.7 | Very low | 21.7 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 62% | 0.621 | 72% | 0.719 | S | S | * | * | trans | -127.6 | 158.1 | 170.8 | -169.7 | 171.2 | 27.4 | 0 | 0 | 114 | P1585 N1587 | Q697-P1585 PolarHBondContact N-O 3.48Å; Q697-N1587 HydrophobicContact CB-CB 4.29Å; Q697-N1587 PolarHBondContact NE2-ND2 2.9Å | ||
| 698 | E | 21 | Very low | 21.8 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | trans | -108.7 | 157.7 | -162.3 | -58.4 | 176.6 | 122.5 | 0 | 0 | 117.7 | ||||
| 699 | E | 21.3 | Very low | 21.9 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | 81.1 | 152.8 | 142.7 | -107.7 | -170.5 | -141.4 | 0 | 0 | 125.3 | ||||
| 700 | Q | 21.3 | Very low | 22.5 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | 71 | 93.2 | 159.3 | -67.9 | 170.8 | 38.1 | 0 | 0 | 121.7 | ||||
| 701 | G | 21.3 | Very low | 22.5 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | 96.9 | 113 | 98.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 702 | N | 25.4 | Very low | 22.5 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 91% | 0.909 | 69% | 0.685 | S | S | * | * | -176.1 | 140 | 119.5 | -95.5 | -25.8 | 0 | 0 | 0 | 111.5 | |||||
| 703 | D | 23 | Very low | 22.9 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | trans | -108.1 | 166.9 | -176.4 | -58.4 | -72.2 | 0 | 0 | 0 | 112.8 | ||||
| 704 | D | 23.6 | Very low | 23.2 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | trans | 60.1 | 143.8 | 161.3 | -71.3 | -26.5 | 0 | 0 | 0 | 118.7 | ||||
| 705 | Y | 22.7 | Very low | 23.4 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | -164.2 | 160.7 | 59 | -108.5 | -70.2 | 0 | 0 | 0 | 115.7 | |||||
| 706 | N | 24.8 | Very low | 23.4 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 65% | 0.647 | 71% | 0.712 | S | S | * | * | trans | 72.3 | 89.9 | 149.2 | -67.3 | -30.3 | 0 | 0 | 0 | 121.2 | ||||
| 707 | E | 22.3 | Very low | 23.4 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | 52.8 | 118.7 | 103 | -70.1 | -143.8 | 92.4 | 0 | 0 | 122.3 | |||||
| 708 | N | 22.9 | Very low | 23.4 | Very low | 116 Ų | 116 | 143 Ų | 143 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | 59.3 | 119.1 | 122.6 | -72.1 | -40.6 | 0 | 0 | 0 | 123 | |||||
| 709 | I | 21.5 | Very low | 24.2 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | 61.5 | 111.5 | 129.1 | -54.3 | 166.6 | 0 | 0 | 0 | 117.2 | K711 | I709-K711 HydrophobicContact CG2-CB 4.46Š| |||
| 710 | D | 30.2 | Very low | 24.1 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | -134.3 | 152.9 | 129.4 | -134.2 | -28.6 | 0 | 0 | 0 | 110.6 | |||||
| 711 | K | 23 | Very low | 24.1 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 53% | 0.526 | 72% | 0.717 | S | S | . | * | trans | -146.1 | 135.1 | -157 | -146 | -155.3 | 174.2 | -155.1 | 0 | 113.1 | I709 D1645 | I709-K711 HydrophobicContact CG2-CB 4.46Å; K711-D1645 IonicContact NZ-OD1 2.65Å; K711-D1645 PolarHBondContact NZ-OD1 3.09Å | ||
| 712 | I | 22.4 | Very low | 24.1 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 50% | 0.497 | 71% | 0.713 | S | S | . | * | trans | 72.2 | 134.9 | 164.4 | -59.9 | 155.5 | 0 | 0 | 0 | 116.4 | ||||
| 713 | I | 27.4 | Very low | 23.9 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | trans | -173.3 | 109.7 | 130.7 | -94.4 | 156.5 | 0 | 0 | 0 | 111.1 | ||||
| 714 | D | 26.1 | Very low | 23.8 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | trans | 50 | 116.9 | 139.5 | -61.4 | -23.5 | 0 | 0 | 0 | 126.7 | ||||
| 715 | N | 24.3 | Very low | 23.7 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | 61.6 | 107.1 | 115.2 | -54 | -40 | 0 | 0 | 0 | 123.1 | |||||
| 716 | T | 22.7 | Very low | 23.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | 28.7 | 127.8 | 126.6 | 66.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 717 | K | 22 | Very low | 23.6 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | 171 | 122.4 | 110.7 | -100.3 | -178.3 | -179.8 | 175.1 | 0 | 118.4 | |||||
| 718 | I | 22.9 | Very low | 23.7 | Very low | 150 Ų | 150 | 135 Ų | 135 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | 60 | -170.7 | 147.7 | -15.1 | 178.3 | 0 | 0 | 0 | 116.6 | ||||
| 719 | P | 36.8 | Very low | 23.6 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 60% | 0.597 | 72% | 0.716 | S | S | * | * | -134.4 | -170.2 | -117.2 | 46.7 | -27.9 | 0 | 0 | 0 | 117.9 | |||||
| 720 | E | 20 | Very low | 23.6 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | 80.4 | 142.5 | 144.5 | -87.2 | 167.1 | -155.2 | 0 | 0 | 122.3 | ||||
| 721 | V | 20.8 | Very low | 23.2 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 70% | 0.703 | 71% | 0.711 | S | S | * | * | trans | 81.7 | 110.3 | 143.3 | 166 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 722 | N | 20.8 | Very low | 23.3 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | trans | 72.3 | 124.8 | 136.2 | -68.7 | 31.5 | 0 | 0 | 0 | 125.5 | ||||
| 723 | E | 20.8 | Very low | 23.2 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | 71 | 170 | 125.2 | -62 | 173.3 | 135.4 | 0 | 0 | 121.9 | |||||
| 724 | S | 22 | Very low | 23.1 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | 67.7 | 130.8 | -176.7 | 25.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 725 | T | 20.8 | Very low | 23 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | cis | 71 | 131.3 | 42.7 | 74 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 726 | D | 21.3 | Very low | 22.9 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | cis | -140.7 | -179.4 | 2.6 | -76.2 | -59.3 | 0 | 0 | 0 | 109.8 | ||||
| 727 | D | 24.7 | Very low | 22.9 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | 169.4 | 149.8 | 119.6 | -104.2 | -27.5 | 0 | 0 | 0 | 118.3 | |||||
| 728 | M | 24.9 | Very low | 22.9 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 82% | 0.823 | 74% | 0.736 | S | S | * | * | trans | 72.3 | 141.9 | 147.6 | -72 | -70.6 | -79.2 | 0 | 0 | 123.9 | ||||
| 729 | C | 19.9 | Very low | 22.8 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | -114.6 | 177.1 | -163.8 | -53.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 730 | D | 21.9 | Very low | 22.2 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | 66.9 | 148.9 | 155.9 | -52.4 | -34.1 | 0 | 0 | 0 | 117.5 | ||||
| 731 | L | 22.3 | Very low | 22.2 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | cis | -143.3 | 154.5 | 24.7 | -89.8 | 91.1 | 0 | 0 | 0 | 113.1 | ||||
| 732 | F | 23.5 | Very low | 22.1 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | trans | 34.2 | 158.1 | 135.1 | -66.5 | -112.3 | 0 | 0 | 0 | 122.6 | ||||
| 733 | S | 21 | Very low | 22.2 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | cis | 175.7 | 138.2 | -30.1 | 60 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 734 | H | 25.6 | Very low | 22.2 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -169.1 | 105.4 | 151.8 | -99.5 | -60 | 0 | 0 | 0 | 113.4 | ||||
| 735 | N | 23.8 | Very low | 22.2 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | 11.5 | 154 | 133.4 | -58.8 | 3.8 | 0 | 0 | 0 | 121 | ||||
| 736 | N | 22.6 | Very low | 22.6 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -179.6 | 162.4 | -22.5 | -103.6 | -10.5 | 0 | 0 | 0 | 108.5 | ||||
| 737 | S | 22.4 | Very low | 22.8 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 61.8 | 149.5 | 149.5 | 57 | 0 | 0 | 0 | 0 | 119 | ||||
| 738 | E | 22.2 | Very low | 22.6 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | cis | -152 | 165.6 | -3.8 | -129.8 | 160.8 | -141.8 | 0 | 0 | 111.7 | ||||
| 739 | S | 21.1 | Very low | 22.4 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -93.5 | 139.9 | 178.2 | 54 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 740 | V | 23.1 | Very low | 22.4 | Very low | 143 Ų | 143 | 134 Ų | 134 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -125.5 | 139.8 | 165.1 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 741 | T | 21 | Very low | 22.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -128.7 | 174.2 | -178.3 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 742 | S | 19.5 | Very low | 22.4 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 99.4 | 169.1 | 154 | 86.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 743 | A | 21 | Very low | 22.4 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 74.6 | 100.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 744 | Q | 21 | Very low | 22.5 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -60.3 | 150.7 | 157.6 | -54.6 | 150.8 | -94 | 0 | 0 | 111.2 | ||||
| 745 | L | 21.8 | Very low | 22.3 | Very low | 175 Ų | 175 | 136 Ų | 136 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -156.5 | 123.8 | 149.2 | -110.5 | 162.2 | 0 | 0 | 0 | 111.7 | ||||
| 746 | S | 29.3 | Very low | 22.2 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -111.1 | 147.5 | 164.8 | 60.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 747 | P | 26.6 | Very low | 22.2 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | -159.1 | -178.2 | 75.4 | 44.4 | -24.3 | 0 | 0 | 0 | 117.5 | |||||
| 748 | S | 20.2 | Very low | 22.4 | Very low | 87 Ų | 87 | 143 Ų | 143 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | 11.8 | 140.3 | 147.9 | 58.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 749 | H | 20.5 | Very low | 22.3 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | -169.7 | 164.4 | 78.8 | -112.3 | -88.2 | 0 | 0 | 0 | 116.5 | |||||
| 750 | T | 21 | Very low | 22.3 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 63.6 | 119.6 | 153 | 40.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 751 | L | 19.5 | Very low | 22.5 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -47.9 | 153.8 | 151.3 | -65.7 | 145.2 | 0 | 0 | 0 | 115.1 | ||||
| 752 | V | 23.9 | Very low | 22.5 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | -152.5 | 133.9 | 116.9 | 168.6 | 0 | 0 | 0 | 0 | 108.5 | L754 | V752-L754 HydrophobicContact CG1-CD1 4.11Š| |||
| 753 | D | 23.6 | Very low | 22.9 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -92.9 | 138.4 | 164.2 | -74 | -62.6 | 0 | 0 | 0 | 110 | ||||
| 754 | L | 22.8 | Very low | 23 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -142.7 | 103.5 | 168.3 | -133.6 | 99.3 | 0 | 0 | 0 | 113.8 | V752 | V752-L754 HydrophobicContact CG1-CD1 4.11Š| ||
| 755 | F | 21.3 | Very low | 23.3 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 42.2 | 127.7 | 147.2 | -81.4 | -91.9 | 0 | 0 | 0 | 123.2 | ||||
| 756 | K | 22.8 | Very low | 23.5 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -63 | 147 | 144.1 | -62 | 175.4 | 175.5 | -178.5 | 0 | 110.1 | ||||
| 757 | V | 22.1 | Very low | 23.4 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | 177 | 129.4 | 125.6 | 145.2 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 758 | F | 25.7 | Very low | 23.4 | Very low | 211 Ų | 211 | 153 Ų | 153 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -162.6 | 128.1 | 137.4 | -92.9 | -62.5 | 0 | 0 | 0 | 106.8 | ||||
| 759 | S | 20.9 | Very low | 23.6 | Very low | 98 Ų | 98 | 155.4 Ų | 155.4 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | -106.1 | -173.3 | -176.8 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 760 | E | 21.4 | Very low | 23.8 | Very low | 159 Ų | 159 | 155.7 Ų | 155.7 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -49.6 | 141.2 | 172.2 | -59.6 | 80.4 | -167.3 | 0 | 0 | 112.5 | ||||
| 761 | N | 26.4 | Very low | 24 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -121.4 | 117.4 | 150.3 | -88.1 | -27.8 | 0 | 0 | 0 | 106.4 | ||||
| 762 | E | 21.2 | Very low | 24.3 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -66.8 | 138.7 | 164.6 | -59.7 | 172.4 | 129.5 | 0 | 0 | 108.7 | ||||
| 763 | Y | 27.7 | Very low | 24.5 | Very low | 218 Ų | 218 | 154.5 Ų | 154.5 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -137.1 | 130.5 | 160.5 | -103 | -84.3 | 0 | 0 | 0 | 108.2 | ||||
| 764 | S | 23.4 | Very low | 24.8 | Very low | 88 Ų | 88 | 154.9 Ų | 154.9 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | trans | -85.8 | -176.8 | -179.6 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 765 | D | 26.5 | Very low | 25.3 | Very low | 135 Ų | 135 | 153.3 Ų | 153.3 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 80.6 | 88.9 | 157.3 | -45.1 | -46.5 | 0 | 0 | 0 | 116.3 | ||||
| 766 | D | 26.9 | Very low | 25.7 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | 36.3 | 103.4 | 127.4 | -59.4 | -14.4 | 0 | 0 | 0 | 118.6 | |||||
| 767 | D | 28 | Very low | 26.3 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -139.1 | 130.7 | 153.5 | -122.7 | -28 | 0 | 0 | 0 | 110 | V769 | D767-V769 PolarHBondContact O-N 3.4Å; D767-V769 VanDerWaalsContact O-N 3.15Å | ||
| 768 | E | 25.9 | Very low | 26.7 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -76.9 | 98.8 | -169.1 | -67.6 | -175.7 | 106.5 | 0 | 0 | 113.1 | ||||
| 769 | V | 25.1 | Very low | 27.2 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -93.9 | 105.4 | 170.8 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | D767 V771 | D767-V769 PolarHBondContact O-N 3.4Å; D767-V769 VanDerWaalsContact O-N 3.15Å; V769-V771 PolarHBondContact O-N 3.15Å | ||
| 770 | H | 23.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 79% | 0.792 | 72% | 0.723 | S | S | * | * | trans | -45.9 | 124.3 | -175.5 | -87.6 | -96.4 | 0 | 0 | 0 | 115.2 | V772 | H770-V772 PolarHBondContact O-N 3.29Š| ||
| 771 | V | 24.9 | Very low | 28.3 | Very low | 131 Ų | 131 | 142 Ų | 142 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | -68.5 | 94.4 | 160.9 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | V769 K773 | V769-V771 PolarHBondContact O-N 3.15Å; V771-K773 PolarHBondContact O-N 3.11Å; V771-K773 VanDerWaalsContact O-N 3.09Å | ||
| 772 | V | 25.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 140 Ų | 140 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | trans | -65.9 | 108.6 | 167.2 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | H770 | H770-V772 PolarHBondContact O-N 3.29Š| ||
| 773 | K | 28.8 | Very low | 29.4 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 57% | 0.574 | 68% | 0.682 | S | S | * | * | trans | -63.1 | 146.8 | -175.6 | -66.8 | -173.8 | 176.3 | -176.5 | 0 | 111.8 | V771 E775 | V771-K773 PolarHBondContact O-N 3.11Å; V771-K773 VanDerWaalsContact O-N 3.09Å; K773-E775 HydrophobicContact CB-CG 4.1Å; K773-E775 VanDerWaalsContact CD-CD 3.41Å; K773-E775 HydrophobicContact CD-CG 4.42Å; K773-E775 VanDerWaalsContact CD-OE1 3.22Å; K773-E775 WeakPolarHBondContact CD-OE1 3.43Å; K773-E775 VanDerWaalsContact CD-OE2 3.29Å; K773-E775 WeakPolarHBondContact CD-OE2 3.04Å; K773-E775 IonicContact NZ-OE1 2.71Å; K773-E775 PolarHBondContact NZ-OE1 3.2Å; K773-E775 VanDerWaalsContact NZ-OE1 3.08Å; K773-E775 IonicContact NZ-OE2 2.85Å; K773-E775 PolarHBondContact O-N 3.01Å | ||
| 774 | Q | 29.9 | Very low | 29.7 | Very low | 154 Ų | 154 | 132 Ų | 132 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 33.1 | -177.4 | -154.6 | 163.3 | -5.4 | 0 | 0 | 113.4 | I777 | Q774-I777 HydrophobicContact CG-CD1 4.48Š|
| 775 | E | 32.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 56% | 0.556 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -35.4 | -174.1 | -70.2 | 167.3 | 176.3 | 0 | 0 | 111.4 | K773 I777 N778 E779 | K773-E775 HydrophobicContact CB-CG 4.1Å; K773-E775 VanDerWaalsContact CD-CD 3.41Å; K773-E775 HydrophobicContact CD-CG 4.42Å; K773-E775 VanDerWaalsContact CD-OE1 3.22Å; K773-E775 WeakPolarHBondContact CD-OE1 3.43Å; K773-E775 VanDerWaalsContact CD-OE2 3.29Å; K773-E775 WeakPolarHBondContact CD-OE2 3.04Å; K773-E775 IonicContact NZ-OE1 2.71Å; K773-E775 PolarHBondContact NZ-OE1 3.2Å; K773-E775 VanDerWaalsContact NZ-OE1 3.08Å; K773-E775 IonicContact NZ-OE2 2.85Å; K773-E775 PolarHBondContact O-N 3.01Å; E775-I777 VanDerWaalsContact C-N 3.35Å; E775-I777 PolarHBondContact O-N 2.92Å; E775-N778 PolarHBondContact O-N 2.83Å; E775-N778 VanDerWaalsContact O-N 3.17Å; E775-E779 PolarHBondContact O-N 2.94Å; E775-E779 VanDerWaalsContact O-N 3.14Å |
| 776 | E | 31.5 | Very low | 30.4 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.9 | -28.5 | 179.6 | -65.8 | -167 | 146.3 | 0 | 0 | 114.4 | N778 Y780 | E776-N778 VanDerWaalsContact C-N 3.33Å; E776-Y780 PolarHBondContact O-N 3.01Å |
| 777 | I | 33.8 | Very low | 30.5 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 54% | 0.544 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.2 | -34.5 | 175.5 | -64.1 | 178.6 | 0 | 0 | 0 | 110.5 | Q774 E775 Y780 I781 | Q774-I777 HydrophobicContact CG-CD1 4.48Å; E775-I777 VanDerWaalsContact C-N 3.35Å; E775-I777 PolarHBondContact O-N 2.92Å; I777-Y780 PolarHBondContact O-N 3.19Å; I777-I781 HydrophobicContact CG2-CD1 4.26Å; I777-I781 WeakPolarHBondContact O-CG1 3.38Å; I777-I781 PolarHBondContact O-N 3.08Å |
| 778 | N | 32.1 | Very low | 30.5 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 48% | 0.481 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73.3 | -39.8 | 177.5 | -67.8 | -11.5 | 0 | 0 | 0 | 111.2 | E775 E776 Y780 I781 D782 | E775-N778 PolarHBondContact O-N 2.83Å; E775-N778 VanDerWaalsContact O-N 3.17Å; E776-N778 VanDerWaalsContact C-N 3.33Å; N778-Y780 PolarHBondContact O-N 3.35Å; N778-I781 PolarHBondContact O-N 2.92Å; N778-D782 PolarHBondContact O-N 3.28Å |
| 779 | E | 35.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 48% | 0.477 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.1 | -26.9 | 176.3 | -148.6 | -148.2 | -175.9 | 0 | 0 | 112.6 | E775 R783 | E775-E779 PolarHBondContact O-N 2.94Å; E775-E779 VanDerWaalsContact O-N 3.14Å; E779-R783 VanDerWaalsContact CD-CZ 3.45Å; E779-R783 VanDerWaalsContact CD-NH2 3.28Å; E779-R783 WeakPolarHBondContact O-CB 3.39Å; E779-R783 WeakPolarHBondContact O-CG 3.3Å; E779-R783 PolarHBondContact O-N 2.99Å; E779-R783 IonicContact OE1-CZ 2.73Å; E779-R783 VanDerWaalsContact OE1-CZ 3.23Å; E779-R783 IonicContact OE1-NH1 2.6Å; E779-R783 IonicContact OE1-NH2 2.63Å; E779-R783 PolarHBondContact OE1-NH2 3.09Å; E779-R783 IonicContact OE2-CZ 2.6Å; E779-R783 IonicContact OE2-NH1 2.87Å; E779-R783 PolarHBondContact OE2-NH1 3.32Å; E779-R783 IonicContact OE2-NH2 2.69Å; E779-R783 PolarHBondContact OE2-NH2 3.21Å |
| 780 | Y | 29.9 | Very low | 30.4 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.2 | -29 | 172.7 | -160.9 | -89.7 | 0 | 0 | 0 | 113.3 | E776 I777 N778 I784 | E776-Y780 PolarHBondContact O-N 3.01Å; I777-Y780 PolarHBondContact O-N 3.19Å; N778-Y780 PolarHBondContact O-N 3.35Å; Y780-I784 HydrophobicContact CD1-CD1 4.28Å; Y780-I784 HydrophobicContact CE1-CD1 4.08Å |
| 781 | I | 35.2 | Very low | 30.4 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 47% | 0.467 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -79.8 | -46.6 | 177.7 | -68.6 | 169.9 | 0 | 0 | 0 | 110.3 | I777 N778 R783 I784 | I777-I781 HydrophobicContact CG2-CD1 4.26Å; I777-I781 WeakPolarHBondContact O-CG1 3.38Å; I777-I781 PolarHBondContact O-N 3.08Å; N778-I781 PolarHBondContact O-N 2.92Å; I781-R783 PolarHBondContact O-N 3.03Å; I781-I784 WeakPolarHBondContact O-CB 3.3Å; I781-I784 PolarHBondContact O-N 3.34Å |
| 782 | D | 37.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 130 Ų | 130 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61 | -34.9 | 179.3 | -69.8 | -21.5 | 0 | 0 | 0 | 111.6 | N778 I784 D785 T786 | N778-D782 PolarHBondContact O-N 3.28Å; D782-I784 PolarHBondContact O-N 3.26Å; D782-D785 PolarHBondContact O-N 3.44Å; D782-T786 WeakPolarHBondContact O-CG2 3.37Å; D782-T786 PolarHBondContact O-N 3.39Å; D782-T786 PolarHBondContact O-OG1 2.58Å; D782-T786 VanDerWaalsContact O-OG1 3.08Å |
| 783 | R | 33.2 | Very low | 30.2 | Very low | 143 Ų | 143 | 132 Ų | 132 | 54% | 0.54 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.3 | -22.1 | 172.6 | -83.2 | -176.2 | 178.5 | 131 | 7 | 114.7 | E779 I781 | E779-R783 VanDerWaalsContact CD-CZ 3.45Å; E779-R783 VanDerWaalsContact CD-NH2 3.28Å; E779-R783 WeakPolarHBondContact O-CB 3.39Å; E779-R783 WeakPolarHBondContact O-CG 3.3Å; E779-R783 PolarHBondContact O-N 2.99Å; E779-R783 IonicContact OE1-CZ 2.73Å; E779-R783 VanDerWaalsContact OE1-CZ 3.23Å; E779-R783 IonicContact OE1-NH1 2.6Å; E779-R783 IonicContact OE1-NH2 2.63Å; E779-R783 PolarHBondContact OE1-NH2 3.09Å; E779-R783 IonicContact OE2-CZ 2.6Å; E779-R783 IonicContact OE2-NH1 2.87Å; E779-R783 PolarHBondContact OE2-NH1 3.32Å; E779-R783 IonicContact OE2-NH2 2.69Å; E779-R783 PolarHBondContact OE2-NH2 3.21Å; I781-R783 PolarHBondContact O-N 3.03Å |
| 784 | I | 34.9 | Very low | 30.1 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 49% | 0.492 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -83.1 | -28.2 | 179.1 | -69.4 | 173.4 | 0 | 0 | 0 | 112.1 | Y780 I781 D782 | Y780-I784 HydrophobicContact CD1-CD1 4.28Å; Y780-I784 HydrophobicContact CE1-CD1 4.08Å; I781-I784 WeakPolarHBondContact O-CB 3.3Å; I781-I784 PolarHBondContact O-N 3.34Å; D782-I784 PolarHBondContact O-N 3.26Å |
| 785 | D | 30.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -97.2 | -24.2 | 179 | -76.8 | -33.8 | 0 | 0 | 0 | 113.5 | D782 E787 K788 | D782-D785 PolarHBondContact O-N 3.44Å; D785-E787 VanDerWaalsContact C-N 3.31Å; D785-E787 PolarHBondContact O-N 2.87Å; D785-K788 PolarHBondContact O-N 3.22Å; D785-K788 IonicContact OD1-NZ 3.04Å |
| 786 | T | 34.1 | Very low | 29.3 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.4 | -25 | 172.1 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | D782 K788 | D782-T786 WeakPolarHBondContact O-CG2 3.37Å; D782-T786 PolarHBondContact O-N 3.39Å; D782-T786 PolarHBondContact O-OG1 2.58Å; D782-T786 VanDerWaalsContact O-OG1 3.08Å; T786-K788 PolarHBondContact O-N 3.4Å; T786-K788 VanDerWaalsContact O-N 3.14Å |
| 787 | E | 27.8 | Very low | 28.9 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 84% | 0.841 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 4.3 | 178.5 | -78.7 | -158.7 | 156.4 | 0 | 0 | 114.8 | D785 | D785-E787 VanDerWaalsContact C-N 3.31Å; D785-E787 PolarHBondContact O-N 2.87Å |
| 788 | K | 28.2 | Very low | 28.3 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -7.5 | -179.6 | -77.7 | -175.7 | -163.8 | 107.2 | 0 | 116.5 | D785 T786 | D785-K788 PolarHBondContact O-N 3.22Å; D785-K788 IonicContact OD1-NZ 3.04Å; T786-K788 PolarHBondContact O-N 3.4Å; T786-K788 VanDerWaalsContact O-N 3.14Å |
| 789 | E | 23 | Very low | 27.8 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 55% | 0.551 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -129.2 | 30 | -170.4 | -62.4 | -150.5 | 118.7 | 0 | 0 | 115.8 | K6 | K6-E789 WeakPolarHBondContact CE-OE1 3.46Å; K6-E789 WeakPolarHBondContact CE-OE2 3.5Å; K6-E789 VanDerWaalsContact NZ-CD 3.28Å; K6-E789 IonicContact NZ-OE1 2.64Å; K6-E789 IonicContact NZ-OE2 3.73Å; K6-E789 PolarHBondContact NZ-OE2 3.35Å |
| 790 | I | 25.7 | Very low | 27.1 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | trans | -118.1 | 58.8 | 167 | -45.4 | -179.8 | 0 | 0 | 0 | 110.9 | ||||
| 791 | E | 24.9 | Very low | 26.8 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -129.2 | 53.7 | 158.4 | -78.9 | -161.1 | 151.6 | 0 | 0 | 109.8 | ||
| 792 | N | 23.9 | Very low | 26.2 | Very low | 139 Ų | 139 | 151.1 Ų | 151.1 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -156.7 | 41.9 | 175.6 | -97.7 | -42.5 | 0 | 0 | 0 | 114.4 | ||
| 793 | E | 22.8 | Very low | 25.5 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | -152.8 | 105.1 | 160 | -131.7 | 165.1 | -138.2 | 0 | 0 | 111.8 | ||||
| 794 | F | 25.3 | Very low | 25 | Very low | 220 Ų | 220 | 147.1 Ų | 147.1 | 97% | 0.965 | 77% | 0.768 | S | S | * | * | trans | -147.2 | 109.3 | 156.1 | -104.5 | -71.3 | 0 | 0 | 0 | 107.3 | ||||
| 795 | D | 24.3 | Very low | 24.4 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -68.8 | 165.3 | -164.4 | -100.9 | -52.3 | 0 | 0 | 0 | 115.6 | K797 | D795-K797 PolarHBondContact O-N 3.3Š| ||
| 796 | Q | 20.8 | Very low | 24 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -47 | 122.7 | 170.7 | -55.8 | 172.7 | 19.1 | 0 | 0 | 111 | ||||
| 797 | K | 25 | Very low | 23.5 | Very low | 203 Ų | 203 | 149 Ų | 149 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -129 | 138.1 | 157.9 | -74.2 | -164.2 | 173.8 | -177.8 | 0 | 110.6 | D795 | D795-K797 PolarHBondContact O-N 3.3Š| ||
| 798 | E | 20.8 | Very low | 23.2 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 167.4 | -162 | -63.2 | 164.2 | 109.3 | 0 | 0 | 113.1 | L800 | E798-L800 PolarHBondContact O-N 3.21Š| ||
| 799 | I | 20.4 | Very low | 22.9 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -69.8 | 110.4 | 173.3 | -60.2 | 164.9 | 0 | 0 | 0 | 108.7 | ||||
| 800 | L | 20.7 | Very low | 22.9 | Very low | 160 Ų | 160 | 147 Ų | 147 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -116.9 | 109.1 | 164.2 | -87 | 170.8 | 0 | 0 | 0 | 110.2 | E798 | E798-L800 PolarHBondContact O-N 3.21Š| ||
| 801 | P | 24 | Very low | 22.7 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -81.4 | 126.6 | 176.1 | 32.1 | -31.5 | 0 | 0 | 0 | 110.6 | ||||
| 802 | I | 23.3 | Very low | 22.6 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -118.4 | 115 | 164.1 | -61 | -179.4 | 0 | 0 | 0 | 107.1 | ||||
| 803 | G | 21 | Very low | 22.5 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -78 | 127.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 804 | G | 24.4 | Very low | 22.4 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -99.6 | 92.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 805 | A | 22.4 | Very low | 22.4 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -86.4 | 139.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 806 | V | 21.5 | Very low | 22.3 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 16.2 | 110.7 | 150.1 | -172.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 807 | S | 22.9 | Very low | 22.4 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 178.5 | 148.1 | 143.6 | 40.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 808 | D | 22.4 | Very low | 22.4 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | -157.3 | -176.1 | -23.9 | -118.6 | -41.9 | 0 | 0 | 0 | 110.2 | ||||
| 809 | L | 20.9 | Very low | 22.4 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 64% | 0.644 | 79% | 0.792 | S | S | * | * | trans | 2 | 134.9 | 165.1 | -73.7 | 73.1 | 0 | 0 | 0 | 118.1 | ||||
| 810 | H | 23.8 | Very low | 22.6 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | -159.1 | 131.8 | 65 | -97.4 | -83.6 | 0 | 0 | 0 | 114.4 | |||||
| 811 | S | 20.9 | Very low | 22.6 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 139.7 | 160.3 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 812 | F | 22.7 | Very low | 22.5 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -132.3 | 126.4 | 177 | -115 | -81.2 | 0 | 0 | 0 | 113.1 | ||||
| 813 | G | 22.8 | Very low | 22.4 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 71.1 | 93.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 814 | E | 20.3 | Very low | 22.4 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 149.5 | 161.9 | -58 | -178.3 | 116.3 | 0 | 0 | 112.4 | ||||
| 815 | S | 24.9 | Very low | 22.4 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -141.7 | 70 | 167.8 | 72.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 816 | R | 21.9 | Very low | 22.4 | Very low | 211 Ų | 211 | 149.9 Ų | 149.9 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | 48.4 | 121.9 | 138.4 | -71.5 | -173.9 | 173.4 | 168.8 | -0.9 | 121.9 | ||||
| 817 | H | 23.2 | Very low | 22.6 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | 57.5 | 138.4 | 141 | -43.8 | -49.4 | 0 | 0 | 0 | 118.9 | ||||
| 818 | H | 24.8 | Very low | 22.5 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | cis | -139.6 | 145.1 | 33.1 | -83 | -101.2 | 0 | 0 | 0 | 113.7 | ||||
| 819 | N | 22.2 | Very low | 22.5 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -97.5 | 142.2 | 163.7 | -76.3 | -26.4 | 0 | 0 | 0 | 110.2 | ||||
| 820 | H | 23.6 | Very low | 22.5 | Very low | 197 Ų | 197 | 152.3 Ų | 152.3 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | -123.5 | 122.8 | 157 | -104.1 | -52.1 | 0 | 0 | 0 | 109.2 | ||||
| 821 | S | 21.8 | Very low | 22.5 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -107.2 | 130.6 | -173.9 | 45.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 822 | I | 21.4 | Very low | 22.5 | Very low | 159 Ų | 159 | 151.5 Ų | 151.5 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -135.9 | 106 | 162.6 | -63 | -174 | 0 | 0 | 0 | 108.8 | ||||
| 823 | Y | 20.5 | Very low | 22.5 | Very low | 218 Ų | 218 | 151.5 Ų | 151.5 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | 32.3 | 103.3 | 155.9 | -67.7 | -88.2 | 0 | 0 | 0 | 119.9 | ||||
| 824 | T | 22 | Very low | 23.3 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | -80.4 | 153.7 | 131.3 | 46.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 825 | N | 23.2 | Very low | 23.5 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -119.1 | 142 | 172.1 | -161.3 | 8.4 | 0 | 0 | 0 | 109.8 | ||||
| 826 | N | 21.8 | Very low | 23.2 | Very low | 133 Ų | 133 | 156.3 Ų | 156.3 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -84.1 | 150.9 | -168.9 | -67.1 | -36.7 | 0 | 0 | 0 | 112.4 | ||||
| 827 | N | 25.7 | Very low | 23.3 | Very low | 173 Ų | 173 | 153 Ų | 153 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -157.2 | 128.4 | 133.2 | -103 | -23 | 0 | 0 | 0 | 109.8 | ||||
| 828 | S | 21.3 | Very low | 23.2 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -99.8 | 141.4 | -177.6 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 829 | V | 24 | Very low | 23 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -133.2 | 120.9 | 154.3 | -178.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 830 | V | 20.4 | Very low | 23 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | -99 | 144.7 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 831 | L | 22.3 | Very low | 22.8 | Very low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -163.5 | 106.2 | 149.3 | -106.4 | 166.2 | 0 | 0 | 0 | 111.2 | ||||
| 832 | S | 22.4 | Very low | 22.8 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 17 | 112 | 152.2 | 54.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 833 | E | 21.5 | Very low | 22.7 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | 21.7 | 162.5 | 112.4 | -76.9 | -169.9 | 156 | 0 | 0 | 123.4 | |||||
| 834 | P | 40.3 | Very low | 22.7 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -109.6 | 177.9 | -154.2 | 43.1 | -36.1 | 0 | 0 | 0 | 115.5 | ||||
| 835 | E | 23.5 | Very low | 22.6 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -122.9 | 135.1 | 155.5 | -71.5 | -171 | 138 | 0 | 0 | 110.9 | ||||
| 836 | E | 19.4 | Very low | 22.4 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -95.2 | 134.6 | 166.5 | -61.7 | -175.4 | 132.1 | 0 | 0 | 109.2 | ||||
| 837 | V | 24.7 | Very low | 22.4 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -133.2 | 128.7 | 158.4 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 838 | S | 19.5 | Very low | 22.1 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -128.6 | 142.7 | 170.5 | 63.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 839 | L | 21 | Very low | 22.1 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -178.6 | 151.6 | 133.5 | -117.3 | 63.7 | 0 | 0 | 0 | 112.7 | ||||
| 840 | D | 22.2 | Very low | 22.1 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | 46.3 | 107.7 | 145.9 | -67.2 | -35.9 | 0 | 0 | 0 | 125 | ||||
| 841 | N | 20.2 | Very low | 22.1 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | 45.8 | 113.9 | 101.4 | -69.4 | -56.2 | 0 | 0 | 0 | 121 | |||||
| 842 | R | 20.7 | Very low | 22.1 | Very low | 223 Ų | 223 | 142.3 Ų | 142.3 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 75.4 | 122.8 | 132.8 | -69.8 | -173.8 | 170.5 | -169.9 | -3 | 120.9 | ||||
| 843 | T | 20.6 | Very low | 22 | Very low | 114 Ų | 114 | 143 Ų | 143 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 58.4 | 114.3 | 139.3 | 56.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 844 | N | 20.9 | Very low | 22.1 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | -171.6 | 160 | 103.4 | -98.6 | -25.1 | 0 | 0 | 0 | 115.9 | |||||
| 845 | C | 18.6 | Very low | 21.3 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 59.7 | 138.2 | 155.5 | -68.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 846 | L | 20 | Very low | 21.2 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -64.4 | 152.3 | 165.2 | -63.2 | 64.3 | 0 | 0 | 0 | 111.2 | ||||
| 847 | I | 20.4 | Very low | 21.4 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -128.9 | 119.2 | 147.6 | -66.3 | -173.7 | 0 | 0 | 0 | 109.4 | ||||
| 848 | T | 20.2 | Very low | 21.2 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -8.2 | 150.3 | 166 | 52.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 849 | A | 20.3 | Very low | 21.3 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -69.1 | 168 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 850 | S | 24.7 | Very low | 21.5 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -134.4 | 133.9 | 167.8 | 48.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 851 | I | 19.8 | Very low | 21.6 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | trans | -139.2 | 130.2 | 175.8 | -62.7 | 174.4 | 0 | 0 | 0 | 107 | ||||
| 852 | I | 22.8 | Very low | 21.9 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 179.5 | 114.9 | 171.9 | -99.2 | 147.7 | 0 | 0 | 0 | 103.6 | ||||
| 853 | T | 19.8 | Very low | 21.9 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | 55.2 | 146.6 | 84.1 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 854 | D | 23.7 | Very low | 22.2 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | cis | -141.5 | -176 | 21.6 | -27.9 | -70.7 | 0 | 0 | 0 | 109.5 | ||||
| 855 | D | 24.2 | Very low | 22.5 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | cis | -166.6 | -177.2 | -8.3 | -152.1 | -12.3 | 0 | 0 | 0 | 111.4 | ||||
| 856 | I | 22.2 | Very low | 22.6 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 65% | 0.651 | 77% | 0.767 | S | S | * | * | trans | 78.6 | 102.4 | 142.5 | -78.6 | 159.7 | 0 | 0 | 0 | 122.3 | ||||
| 857 | V | 22.3 | Very low | 23.1 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | 62.3 | 141.7 | 116.7 | 171.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 858 | Q | 21.8 | Very low | 23.4 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -150 | 172.9 | 19.3 | -144.6 | 146.4 | 18.5 | 0 | 0 | 114.7 | ||||
| 859 | S | 21.4 | Very low | 23.7 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -40.9 | 155.7 | 174.2 | 59.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 860 | E | 25.8 | Very low | 24.8 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | -157.1 | 160.9 | 103.2 | -114.4 | 176.6 | -168.8 | 0 | 0 | 112.3 | |||||
| 861 | V | 23.2 | Very low | 24.7 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 62% | 0.618 | 76% | 0.759 | S | S | * | * | trans | -128.1 | 140.1 | -164.9 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | D863 | V861-D863 WeakPolarHBondContact CG1-OD2 3.33Š| ||
| 862 | I | 25.7 | Very low | 24.9 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -138.1 | 97.7 | 162.9 | -56.8 | -179.5 | 0 | 0 | 0 | 107.9 | ||||
| 863 | D | 22.4 | Very low | 25 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | trans | -85.8 | 154.5 | 167.4 | -58.6 | -55.1 | 0 | 0 | 0 | 109.9 | V861 | V861-D863 WeakPolarHBondContact CG1-OD2 3.33Š| ||
| 864 | D | 25.7 | Very low | 25.1 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | 171.2 | 157.4 | 107.3 | -115.9 | -35.6 | 0 | 0 | 0 | 114.7 | |||||
| 865 | M | 26.9 | Very low | 25.3 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 70.6 | 101.6 | 160.6 | -62.4 | -85.4 | 89.2 | 0 | 0 | 120.5 | ||||
| 866 | E | 21.9 | Very low | 25.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -54.6 | 155.8 | 163.9 | -56.4 | 154.1 | 120.7 | 0 | 0 | 115.2 | ||||
| 867 | S | 30.5 | Very low | 25.8 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | -157.5 | 150.3 | 141.2 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 868 | D | 25.5 | Very low | 26 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -123.1 | 151.5 | -144.8 | -141.6 | -6.3 | 0 | 0 | 0 | 115.6 | ||||
| 869 | I | 26.2 | Very low | 26.4 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | 70.8 | 147.9 | 154.2 | -77.7 | 158.3 | 0 | 0 | 0 | 119.4 | ||||
| 870 | P | 44.2 | Very low | 26.9 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -127.4 | -178.7 | -145.2 | 43.3 | -29 | 0 | 0 | 0 | 116.2 | ||||
| 871 | S | 23.5 | Very low | 27 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -166.1 | 131.1 | 148.7 | -78.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 872 | D | 23.6 | Very low | 27.4 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 21.2 | 126.8 | 138.1 | -75.2 | 27.1 | 0 | 0 | 0 | 118.7 | ||||
| 873 | Q | 24.5 | Very low | 27.5 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -176.8 | 163.4 | 47.8 | -125.8 | 162.5 | 57.2 | 0 | 0 | 113.4 | ||||
| 874 | L | 22.8 | Very low | 28.3 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | trans | 62 | 110.5 | 154.8 | -64 | 165.6 | 0 | 0 | 0 | 119.9 | ||||
| 875 | Y | 27.1 | Very low | 28.9 | Very low | 225 Ų | 225 | 135.1 Ų | 135.1 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | -160.2 | 118 | 100.3 | -115.6 | -73.4 | 0 | 0 | 0 | 112.3 | N877 | Y875-N877 PolarHBondContact O-N 2.87Š| |||
| 876 | D | 26.2 | Very low | 29.2 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -70.1 | 115.8 | 177.5 | -62 | -70.6 | 0 | 0 | 0 | 112 | A878 | D876-A878 PolarHBondContact O-N 3.1Š| ||
| 877 | N | 29.9 | Very low | 29.9 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -82.2 | 99.5 | 164.2 | -83.6 | -61.6 | 0 | 0 | 0 | 109.1 | Y875 A879 | Y875-N877 PolarHBondContact O-N 2.87Å; N877-A879 PolarHBondContact O-N 2.73Å | ||
| 878 | A | 26.6 | Very low | 30.3 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | trans | -63 | 92.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D876 | D876-A878 PolarHBondContact O-N 3.1Š| ||
| 879 | A | 30.8 | Very low | 30.9 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | -73.4 | 128.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | N877 E881 | N877-A879 PolarHBondContact O-N 2.73Å; A879-E881 PolarHBondContact O-N 2.91Å | ||
| 880 | D | 31.7 | Very low | 31.4 | Very low | 169 Ų | 169 | 119.4 Ų | 119.4 | 90% | 0.904 | 68% | 0.683 | S | S | * | * | trans | -60 | 101.9 | -178.5 | -79.7 | -58.8 | 0 | 0 | 0 | 111.6 | A882 | D880-A882 PolarHBondContact O-N 3.26Š| ||
| 881 | E | 28.1 | Very low | 31.2 | Very low | 188 Ų | 188 | 117.3 Ų | 117.3 | 88% | 0.879 | 67% | 0.671 | S | S | * | * | trans | -58.4 | 112 | 170.1 | -73 | -168.2 | 129.5 | 0 | 0 | 110.3 | A879 | A879-E881 PolarHBondContact O-N 2.91Š| ||
| 882 | A | 31.3 | Very low | 31.8 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 60% | 0.603 | 66% | 0.664 | S | S | * | * | trans | -67.4 | 122.5 | 177 | 0 | 0 | 0 | 0 | 0 | 108.9 | D880 E884 | D880-A882 PolarHBondContact O-N 3.26Å; A882-E884 PolarHBondContact O-N 2.9Å | ||
| 883 | P | 28.9 | Very low | 32.3 | Very low | 86 Ų | 86 | 112.7 Ų | 112.7 | 56% | 0.558 | 65% | 0.645 | S | S | * | * | trans | -66.3 | 125.5 | -163.4 | 24.1 | -34.9 | 0 | 0 | 0 | 112.1 | S885 L886 | P883-S885 CarbonylContact O-C 3.42Å; P883-S885 WeakPolarHBondContact O-CA 3.22Å; P883-S885 PolarHBondContact O-N 3.16Å; P883-S885 PolarHBondContact O-OG 3.35Å; P883-L886 PolarHBondContact O-N 2.87Å | ||
| 884 | E | 38.4 | Very low | 32.9 | Very low | 137 Ų | 137 | 107.2 Ų | 107.2 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -24.4 | -42.2 | -176.9 | -54.5 | 163.3 | 121.2 | 0 | 0 | 115.8 | A882 L886 A887 D888 | A882-E884 PolarHBondContact O-N 2.9Å; E884-L886 PolarHBondContact O-N 2.97Å; E884-A887 CarbonylContact O-C 3.36Å; E884-A887 WeakPolarHBondContact O-CA 3.48Å; E884-A887 WeakPolarHBondContact O-CB 3.44Å; E884-A887 PolarHBondContact O-N 2.74Å; E884-D888 PolarHBondContact O-N 2.93Å |
| 885 | S | 39.5 | Very low | 33.5 | Very low | 81 Ų | 81 | 105.9 Ų | 105.9 | 57% | 0.566 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -48.8 | -19.8 | 170.6 | 56.3 | 0 | 0 | 0 | 0 | 116.5 | P883 A889 | P883-S885 CarbonylContact O-C 3.42Å; P883-S885 WeakPolarHBondContact O-CA 3.22Å; P883-S885 PolarHBondContact O-N 3.16Å; P883-S885 PolarHBondContact O-OG 3.35Å; S885-A889 VanDerWaalsContact O-CB 3.32Å; S885-A889 WeakPolarHBondContact O-CB 3.34Å; S885-A889 PolarHBondContact O-N 3.1Å |
| 886 | L | 32.3 | Very low | 33.7 | Very low | 94 Ų | 94 | 99.6 Ų | 99.6 | 49% | 0.492 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -88.5 | -34.4 | 170.9 | -174.8 | 62 | 0 | 0 | 0 | 112.1 | P883 E884 A889 I890 | P883-L886 PolarHBondContact O-N 2.87Å; E884-L886 PolarHBondContact O-N 2.97Å; L886-A889 PolarHBondContact O-N 3.06Å; L886-I890 HydrophobicContact CD1-CD1 4.22Å; L886-I890 HydrophobicContact CD1-CG1 4.39Å; L886-I890 HydrophobicContact CG-CD1 3.97Å; L886-I890 WeakPolarHBondContact O-CB 3.46Å; L886-I890 VanDerWaalsContact O-CG1 3.24Å; L886-I890 WeakPolarHBondContact O-CG1 3.47Å; L886-I890 PolarHBondContact O-N 2.71Å |
| 887 | A | 37.2 | Very low | 34 | Very low | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.9 | -50.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | E884 A889 I890 S891 | E884-A887 CarbonylContact O-C 3.36Å; E884-A887 WeakPolarHBondContact O-CA 3.48Å; E884-A887 WeakPolarHBondContact O-CB 3.44Å; E884-A887 PolarHBondContact O-N 2.74Å; A887-A889 VanDerWaalsContact C-N 3.26Å; A887-A889 PolarHBondContact O-N 3.37Å; A887-I890 CarbonylContact O-C 3.56Å; A887-I890 PolarHBondContact O-N 2.89Å; A887-S891 WeakPolarHBondContact O-CB 3.32Å; A887-S891 PolarHBondContact O-N 3.15Å; A887-S891 PolarHBondContact O-OG 3.28Å; A887-S891 VanDerWaalsContact O-OG 3.1Å |
| 888 | D | 39.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 98.9 Ų | 98.9 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -50 | -45.7 | 172.1 | -71.9 | -20.5 | 0 | 0 | 0 | 112.2 | E884 L892 | E884-D888 PolarHBondContact O-N 2.93Å; D888-L892 WeakPolarHBondContact O-CB 3.33Å; D888-L892 WeakPolarHBondContact O-CG 3.4Å; D888-L892 PolarHBondContact O-N 2.97Å |
| 889 | A | 36.2 | Very low | 34.5 | Very low | 56 Ų | 56 | 98.5 Ų | 98.5 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.1 | -28.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S885 L886 A887 G893 | S885-A889 VanDerWaalsContact O-CB 3.32Å; S885-A889 WeakPolarHBondContact O-CB 3.34Å; S885-A889 PolarHBondContact O-N 3.1Å; L886-A889 PolarHBondContact O-N 3.06Å; A887-A889 VanDerWaalsContact C-N 3.26Å; A887-A889 PolarHBondContact O-N 3.37Å; A889-G893 PolarHBondContact O-N 3.39Å; A889-G893 VanDerWaalsContact O-N 3.09Å |
| 890 | I | 37.5 | Very low | 34.5 | Very low | 107 Ų | 107 | 97.7 Ų | 97.7 | 55% | 0.549 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78 | -42.5 | 172.9 | -71.7 | 169.1 | 0 | 0 | 0 | 109.9 | L886 A887 G893 A894 | L886-I890 HydrophobicContact CD1-CD1 4.22Å; L886-I890 HydrophobicContact CD1-CG1 4.39Å; L886-I890 HydrophobicContact CG-CD1 3.97Å; L886-I890 WeakPolarHBondContact O-CB 3.46Å; L886-I890 VanDerWaalsContact O-CG1 3.24Å; L886-I890 WeakPolarHBondContact O-CG1 3.47Å; L886-I890 PolarHBondContact O-N 2.71Å; A887-I890 CarbonylContact O-C 3.56Å; A887-I890 PolarHBondContact O-N 2.89Å; I890-G893 CarbonylContact O-C 3.52Å; I890-G893 PolarHBondContact O-N 2.73Å; I890-A894 WeakPolarHBondContact O-CB 3.48Å; I890-A894 PolarHBondContact O-N 3.26Å |
| 891 | S | 39.7 | Very low | 34.3 | Very low | 68 Ų | 68 | 97.1 Ų | 97.1 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.3 | -50.3 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | A887 G893 A894 I895 | A887-S891 WeakPolarHBondContact O-CB 3.32Å; A887-S891 PolarHBondContact O-N 3.15Å; A887-S891 PolarHBondContact O-OG 3.28Å; A887-S891 VanDerWaalsContact O-OG 3.1Å; S891-G893 VanDerWaalsContact C-N 3.29Å; S891-G893 PolarHBondContact O-N 3.31Å; S891-A894 PolarHBondContact O-N 3.33Å; S891-I895 WeakPolarHBondContact O-CB 3.36Å; S891-I895 WeakPolarHBondContact O-CD1 3.31Å; S891-I895 WeakPolarHBondContact O-CG1 3.37Å; S891-I895 PolarHBondContact O-N 3.21Å |
| 892 | L | 36.2 | Very low | 34.3 | Very low | 122 Ų | 122 | 93 Ų | 93 | 64% | 0.639 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.8 | -33 | 174.9 | -71 | 169.1 | 0 | 0 | 0 | 112.6 | D888 S896 | D888-L892 WeakPolarHBondContact O-CB 3.33Å; D888-L892 WeakPolarHBondContact O-CG 3.4Å; D888-L892 PolarHBondContact O-N 2.97Å; L892-S896 VanDerWaalsContact O-CB 3.27Å; L892-S896 WeakPolarHBondContact O-CB 3.32Å; L892-S896 PolarHBondContact O-N 3.43Å; L892-S896 VanDerWaalsContact O-N 3.07Å |
| 893 | G | 34.9 | Very low | 34.1 | Very low | 33 Ų | 33 | 98.7 Ų | 98.7 | 34% | 0.34 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72 | -32.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A889 I890 S891 L897 | A889-G893 PolarHBondContact O-N 3.39Å; A889-G893 VanDerWaalsContact O-N 3.09Å; I890-G893 CarbonylContact O-C 3.52Å; I890-G893 PolarHBondContact O-N 2.73Å; S891-G893 VanDerWaalsContact C-N 3.29Å; S891-G893 PolarHBondContact O-N 3.31Å; G893-L897 WeakPolarHBondContact O-CG 3.47Å; G893-L897 PolarHBondContact O-N 3.01Å |
| 894 | A | 37.4 | Very low | 34.2 | Very low | 39 Ų | 39 | 100.8 Ų | 100.8 | 32% | 0.322 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -77.8 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I890 S891 S896 L897 I898 | I890-A894 WeakPolarHBondContact O-CB 3.48Å; I890-A894 PolarHBondContact O-N 3.26Å; S891-A894 PolarHBondContact O-N 3.33Å; A894-S896 VanDerWaalsContact C-N 3.33Å; A894-S896 PolarHBondContact O-N 2.88Å; A894-L897 CarbonylContact O-C 3.54Å; A894-L897 WeakPolarHBondContact O-CA 3.32Å; A894-L897 PolarHBondContact O-N 3.47Å; A894-I898 HydrophobicContact CB-CD1 4.46Å; A894-I898 WeakPolarHBondContact O-CB 3.29Å; A894-I898 VanDerWaalsContact O-CG1 3.3Å; A894-I898 WeakPolarHBondContact O-CG1 3.41Å; A894-I898 PolarHBondContact O-N 3.31Å |
| 895 | I | 34.8 | Very low | 33.6 | Very low | 95 Ų | 95 | 102 Ų | 102 | 49% | 0.487 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -53.2 | -51.8 | 170.5 | -68.3 | 164.1 | 0 | 0 | 0 | 109.2 | S891 L897 I898 T899 | S891-I895 WeakPolarHBondContact O-CB 3.36Å; S891-I895 WeakPolarHBondContact O-CD1 3.31Å; S891-I895 WeakPolarHBondContact O-CG1 3.37Å; S891-I895 PolarHBondContact O-N 3.21Å; I895-L897 PolarHBondContact O-N 2.91Å; I895-I898 PolarHBondContact O-N 3.03Å; I895-T899 HydrophobicContact CG2-CG2 3.84Å; I895-T899 WeakPolarHBondContact O-CG2 3.47Å; I895-T899 PolarHBondContact O-N 3.28Å; I895-T899 PolarHBondContact O-OG1 3.2Å |
| 896 | S | 32 | Very low | 33.1 | Very low | 93 Ų | 93 | 101.6 Ų | 101.6 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.3 | -6 | 176.5 | -174.4 | 0 | 0 | 0 | 0 | 115.9 | L892 A894 | L892-S896 VanDerWaalsContact O-CB 3.27Å; L892-S896 WeakPolarHBondContact O-CB 3.32Å; L892-S896 PolarHBondContact O-N 3.43Å; L892-S896 VanDerWaalsContact O-N 3.07Å; A894-S896 VanDerWaalsContact C-N 3.33Å; A894-S896 PolarHBondContact O-N 2.88Å |
| 897 | L | 30.6 | Very low | 32.8 | Very low | 149 Ų | 149 | 104.3 Ų | 104.3 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -110.7 | -16.3 | 173.1 | -78.7 | 170.8 | 0 | 0 | 0 | 113.3 | G893 A894 I895 | G893-L897 WeakPolarHBondContact O-CG 3.47Å; G893-L897 PolarHBondContact O-N 3.01Å; A894-L897 CarbonylContact O-C 3.54Å; A894-L897 WeakPolarHBondContact O-CA 3.32Å; A894-L897 PolarHBondContact O-N 3.47Å; I895-L897 PolarHBondContact O-N 2.91Å |
| 898 | I | 37.5 | Very low | 32.4 | Very low | 137 Ų | 137 | 108.2 Ų | 108.2 | 70% | 0.703 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -100.5 | -33.3 | 179.9 | -67 | 168.6 | 0 | 0 | 0 | 110.9 | A894 I895 G900 | A894-I898 HydrophobicContact CB-CD1 4.46Å; A894-I898 WeakPolarHBondContact O-CB 3.29Å; A894-I898 VanDerWaalsContact O-CG1 3.3Å; A894-I898 WeakPolarHBondContact O-CG1 3.41Å; A894-I898 PolarHBondContact O-N 3.31Å; I895-I898 PolarHBondContact O-N 3.03Å; I898-G900 PolarHBondContact O-N 2.81Å |
| 899 | T | 31.5 | Very low | 31.9 | Very low | 94 Ų | 94 | 111 Ų | 111 | 58% | 0.577 | 67% | 0.665 | S | S | * | * | trans | -75.8 | 45.9 | 171 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | I895 L901 | I895-T899 HydrophobicContact CG2-CG2 3.84Å; I895-T899 WeakPolarHBondContact O-CG2 3.47Å; I895-T899 PolarHBondContact O-N 3.28Å; I895-T899 PolarHBondContact O-OG1 3.2Å; T899-L901 PolarHBondContact O-N 3.45Å | ||
| 900 | G | 29.7 | Very low | 31.4 | Very low | 70 Ų | 70 | 116.8 Ų | 116.8 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | trans | -78 | 40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I898 | I898-G900 PolarHBondContact O-N 2.81Š| ||
| 901 | L | 26.8 | Very low | 31.1 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | trans | -113 | 120.6 | -177.9 | -67.6 | 176.2 | 0 | 0 | 0 | 109.7 | T899 | T899-L901 PolarHBondContact O-N 3.45Š| ||
| 902 | S | 29.8 | Very low | 30.7 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | trans | -64.8 | 142.9 | 158.7 | 46.8 | 0 | 0 | 0 | 0 | 110 | V904 | S902-V904 PolarHBondContact O-N 2.8Š| ||
| 903 | E | 26.8 | Very low | 30.1 | Very low | 192 Ų | 192 | 123.4 Ų | 123.4 | 90% | 0.897 | 71% | 0.707 | S | S | * | * | trans | -57.4 | 115.5 | 175.8 | -64.4 | 149.1 | 149.4 | 0 | 0 | 110.9 | ||||
| 904 | V | 30.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | trans | -142.6 | 117.6 | 159.1 | -179.1 | 0 | 0 | 0 | 0 | 105.6 | S902 | S902-V904 PolarHBondContact O-N 2.8Š| ||
| 905 | D | 26.3 | Very low | 29.2 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | -72.1 | 144.3 | -173.9 | -51.5 | -77.8 | 0 | 0 | 0 | 112.3 | ||||
| 906 | G | 27 | Very low | 28.7 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -179 | 119 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 907 | D | 26.9 | Very low | 28.5 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | -82 | 167.4 | -168.5 | -67.2 | -57.7 | 0 | 0 | 0 | 115.2 | ||||
| 908 | D | 28 | Very low | 28.2 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 55.1 | 110.4 | 156.1 | -57.8 | -24.3 | 0 | 0 | 0 | 119.8 | ||||
| 909 | N | 29 | Very low | 27.6 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | 174.8 | 156.8 | 94.5 | -89.6 | -74.1 | 0 | 0 | 0 | 111.8 | |||||
| 910 | E | 27.3 | Very low | 27.2 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -88 | 149.7 | 170.7 | -56.7 | -177.2 | 114.5 | 0 | 0 | 110.2 | ||||
| 911 | D | 30.1 | Very low | 26.8 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | 177.9 | 151.6 | 118.8 | -102.3 | -30.3 | 0 | 0 | 0 | 116.9 | |||||
| 912 | D | 30.4 | Very low | 26.6 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | trans | 39.8 | 142.4 | 158.5 | -104.2 | -21.1 | 0 | 0 | 0 | 128.3 | ||||
| 913 | K | 24.5 | Very low | 26.2 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | trans | -79.4 | 169.4 | 179.5 | -35 | 124 | -166.6 | 117.9 | 0 | 111.7 | ||||
| 914 | N | 26.2 | Very low | 26.1 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | 163.2 | 155.5 | 108 | -88.5 | -47.8 | 0 | 0 | 0 | 115.4 | |||||
| 915 | Y | 26.6 | Very low | 25.7 | Very low | 208 Ų | 208 | 139.2 Ų | 139.2 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | trans | 52.9 | 124.5 | 157.7 | -63.4 | -55 | 0 | 0 | 0 | 119.3 | ||||
| 916 | A | 25.8 | Very low | 25.5 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | 79.7 | 145.3 | 58 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 917 | D | 25.9 | Very low | 25.2 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | cis | -162.1 | -172.4 | -13.8 | -105.1 | -29.6 | 0 | 0 | 0 | 109.1 | ||||
| 918 | D | 25.7 | Very low | 25 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | 71.8 | 105.9 | 145.4 | -74.1 | 0.4 | 0 | 0 | 0 | 123.3 | ||||
| 919 | D | 24.4 | Very low | 24.9 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | 86.9 | 111.3 | 108.6 | -100.9 | 27.2 | 0 | 0 | 0 | 126.2 | |||||
| 920 | N | 23.7 | Very low | 24.5 | Very low | 119 Ų | 119 | 142 Ų | 142 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | 75.4 | 143.6 | 113.5 | -90.5 | -27.6 | 0 | 0 | 0 | 126 | |||||
| 921 | L | 21.3 | Very low | 24.3 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | trans | 63.6 | 159.9 | 151.1 | -89.2 | 75 | 0 | 0 | 0 | 119.1 | ||||
| 922 | Y | 22.1 | Very low | 23.9 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | cis | -165.3 | -174.3 | -36.7 | -140.3 | -119.4 | 0 | 0 | 0 | 109.6 | ||||
| 923 | N | 22.2 | Very low | 23.6 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 68 | 116.9 | 154.7 | -79.9 | -32.7 | 0 | 0 | 0 | 122.9 | ||||
| 924 | S | 23.2 | Very low | 23.4 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -41.8 | 154.9 | 148.6 | 55 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 925 | N | 22.4 | Very low | 23.2 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | -141.8 | 134.5 | 129.5 | -87 | -46.1 | 0 | 0 | 0 | 107.6 | |||||
| 926 | K | 21.9 | Very low | 23 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | 59.6 | 110 | 69.3 | -78.9 | -175.1 | 176.8 | 175.6 | 0 | 113.7 | |||||
| 927 | E | 22 | Very low | 22.8 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | -165.8 | 129 | 106.4 | -96.8 | -169.4 | 163.3 | 0 | 0 | 110.3 | |||||
| 928 | I | 21.3 | Very low | 22.6 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | 60.1 | 106.6 | 100.6 | -57.6 | 178.2 | 0 | 0 | 0 | 114.5 | |||||
| 929 | N | 26 | Very low | 22.4 | Very low | 161 Ų | 161 | 142 Ų | 142 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | -153 | 135.5 | 133.6 | -134.7 | -43 | 0 | 0 | 0 | 111 | ||||
| 930 | S | 22.2 | Very low | 22.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | -148.7 | 114 | -170.3 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 931 | N | 23.1 | Very low | 22.2 | Very low | 127 Ų | 127 | 144 Ų | 144 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | trans | -151.2 | 115.8 | 159.1 | -87.6 | -55.3 | 0 | 0 | 0 | 108.1 | ||||
| 932 | K | 21.6 | Very low | 22.1 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | 66.2 | 106.2 | 90.3 | -70 | -177.6 | -164.1 | 155.4 | 0 | 114.2 | |||||
| 933 | H | 23.4 | Very low | 22.1 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 93% | 0.931 | 75% | 0.746 | S | S | * | * | -147.9 | 152.3 | 121.2 | -126.2 | -88.5 | 0 | 0 | 0 | 111 | |||||
| 934 | L | 20.2 | Very low | 22.1 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -118.2 | 162.6 | -166 | -118.6 | 161.5 | 0 | 0 | 0 | 111.6 | ||||
| 935 | S | 22.2 | Very low | 22 | Very low | 90 Ų | 90 | 150.6 Ų | 150.6 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | 72.5 | 158.9 | 151.5 | 66.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 936 | Y | 22.8 | Very low | 22 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | cis | -141.8 | 150.1 | 22.3 | -108.2 | -103.8 | 0 | 0 | 0 | 113.2 | ||||
| 937 | L | 21.7 | Very low | 22.1 | Very low | 143 Ų | 143 | 153.4 Ų | 153.4 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 59.8 | 139.2 | 154.3 | -61.2 | 168.9 | 0 | 0 | 0 | 119.8 | ||||
| 938 | S | 21.3 | Very low | 22 | Very low | 97 Ų | 97 | 150.6 Ų | 150.6 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | 77.8 | 144 | 48.7 | 102 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 939 | S | 22.3 | Very low | 22.1 | Very low | 106 Ų | 106 | 153.8 Ų | 153.8 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | cis | -152.5 | -178.5 | 15.4 | -157.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 940 | D | 20.7 | Very low | 21.9 | Very low | 129 Ų | 129 | 151 Ų | 151 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -76.2 | -177 | -169.1 | -73 | -85.3 | 0 | 0 | 0 | 118.2 | ||||
| 941 | H | 22.4 | Very low | 21.8 | Very low | 161 Ų | 161 | 155 Ų | 155 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | 88.9 | 147.5 | 153.3 | -59.6 | -45.7 | 0 | 0 | 0 | 119.5 | ||||
| 942 | Y | 19.6 | Very low | 21.7 | Very low | 190 Ų | 190 | 154 Ų | 154 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | cis | -169.2 | 159.9 | -29.9 | -141.2 | -136.5 | 0 | 0 | 0 | 110.2 | ||||
| 943 | R | 21.2 | Very low | 21.7 | Very low | 216 Ų | 216 | 153.5 Ų | 153.5 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | 61.9 | 127.4 | 168 | -66 | 166.9 | 178.2 | 174.1 | -1.4 | 116.7 | ||||
| 944 | K | 21.5 | Very low | 21.6 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | 59.7 | 94.1 | 62.8 | -75.6 | -171.6 | 174.7 | 174.8 | 0 | 115 | |||||
| 945 | G | 22.5 | Very low | 21.6 | Very low | 77 Ų | 77 | 149 Ų | 149 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -114.2 | 132.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 946 | K | 21.6 | Very low | 21.5 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -106.4 | 134.8 | 171.5 | -73 | -178.7 | 176.4 | -178.3 | 0 | 108.8 | ||||
| 947 | H | 24.4 | Very low | 21.4 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 89% | 0.889 | 78% | 0.782 | S | S | * | * | trans | -129.1 | 96.5 | 157.4 | -80.8 | -61.7 | 0 | 0 | 0 | 111.4 | ||||
| 948 | S | 20.4 | Very low | 21.4 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -73.5 | 127.5 | 160.9 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 949 | K | 23.8 | Very low | 21.4 | Very low | 203 Ų | 203 | 151.9 Ų | 151.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -128.7 | 103.8 | 154.8 | -76.8 | -167.7 | 175.5 | -177.2 | 0 | 108.9 | ||||
| 950 | S | 20.2 | Very low | 21.4 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -65.3 | 135.8 | 164.5 | 47.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 951 | L | 21.3 | Very low | 21.4 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -123 | 84.3 | 164 | -146.4 | 78.9 | 0 | 0 | 0 | 109.4 | ||||
| 952 | T | 20.5 | Very low | 21.3 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | -81.9 | 162.8 | 165.9 | 44 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 953 | H | 21.6 | Very low | 21.5 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | 71.3 | 107.9 | 178.3 | -64.7 | -95.4 | 0 | 0 | 0 | 118 | ||||
| 954 | L | 20.1 | Very low | 21.5 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | 169.4 | 76.4 | 133.5 | -92.4 | 156.9 | 0 | 0 | 0 | 107.3 | ||||
| 955 | S | 20.5 | Very low | 21.6 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | 66.7 | 112.4 | 69.7 | 85.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 956 | K | 21.1 | Very low | 21.5 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 60.8 | 101.4 | 155 | -65.9 | -174.6 | 176.7 | -177.7 | 0 | 119 | T958 | K956-T958 PolarHBondContact O-N 3.45Š| ||
| 957 | S | 20.5 | Very low | 21.5 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | 33 | 85.7 | 121.9 | 62.1 | 0 | 0 | 0 | 0 | 117.4 | N959 | S957-N959 PolarHBondContact O-N 2.97Š| |||
| 958 | T | 21 | Very low | 21.4 | Very low | 133 Ų | 133 | 145 Ų | 145 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -75.1 | 101.1 | 160.4 | 30.9 | 0 | 0 | 0 | 0 | 110.1 | K956 I960 | K956-T958 PolarHBondContact O-N 3.45Å; T958-I960 PolarHBondContact O-N 2.99Å | ||
| 959 | N | 21.4 | Very low | 21.5 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 119.4 | 165.3 | -80.6 | -16 | 0 | 0 | 0 | 109.3 | S957 | S957-N959 PolarHBondContact O-N 2.97Š|
| 960 | I | 21.9 | Very low | 21.4 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 132.1 | 162.1 | -65 | -178.7 | 0 | 0 | 0 | 107.1 | T958 | T958-I960 PolarHBondContact O-N 2.99Š|
| 961 | N | 21.4 | Very low | 21.6 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 149.5 | -167.1 | -101.9 | -31 | 0 | 0 | 0 | 114 | ||
| 962 | N | 21.2 | Very low | 21.7 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 144.7 | 161.8 | -53.8 | -45.2 | 0 | 0 | 0 | 111.5 | ||
| 963 | N | 22.6 | Very low | 22 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | 176 | 73.2 | 132.4 | -89 | -23.6 | 0 | 0 | 0 | 112 | ||||
| 964 | A | 22.3 | Very low | 22.2 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | -140.1 | 115.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | S966 | A964-S966 PolarHBondContact O-N 2.98Š| ||
| 965 | K | 22.9 | Very low | 22.4 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 87% | 0.87 | 75% | 0.746 | S | S | * | * | trans | -67.8 | 114.2 | -172.6 | -63.6 | 176.8 | -179.5 | -179.8 | 0 | 110.7 | ||||
| 966 | S | 21.1 | Very low | 22.6 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | -99.2 | 110.4 | 152.7 | 50.9 | 0 | 0 | 0 | 0 | 107.6 | A964 E968 | A964-S966 PolarHBondContact O-N 2.98Å; S966-E968 PolarHBondContact O-N 3.43Å | ||
| 967 | D | 22.3 | Very low | 22.7 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -70.1 | 94.9 | 171.7 | -69 | -53.3 | 0 | 0 | 0 | 108.5 | L969 | D967-L969 PolarHBondContact O-N 3.48Š| ||
| 968 | E | 21.9 | Very low | 22.9 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | trans | -65 | 95.6 | 176.2 | -74.7 | -162.8 | 132.6 | 0 | 0 | 110.1 | S966 S970 | S966-E968 PolarHBondContact O-N 3.43Å; E968-S970 PolarHBondContact O-N 3.21Å; E968-S970 PolarHBondContact O-OG 3.36Å | ||
| 969 | L | 21.4 | Very low | 23.1 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -59.8 | 80.5 | 157.5 | -93.5 | 161 | 0 | 0 | 0 | 108.7 | D967 V971 | D967-L969 PolarHBondContact O-N 3.48Å; L969-V971 PolarHBondContact O-N 2.7Å | ||
| 970 | S | 22.6 | Very low | 23.3 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -72.2 | 70.1 | 179.9 | 36.9 | 0 | 0 | 0 | 0 | 109.6 | E968 N972 | E968-S970 PolarHBondContact O-N 3.21Å; E968-S970 PolarHBondContact O-OG 3.36Å; S970-N972 VanDerWaalsContact C-N 3.25Å; S970-N972 PolarHBondContact O-N 2.68Å | ||
| 971 | V | 24.5 | Very low | 23.5 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 62% | 0.624 | 69% | 0.694 | S | S | * | * | trans | -63.9 | 91.1 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | L969 K973 | L969-V971 PolarHBondContact O-N 2.7Å; V971-K973 PolarHBondContact O-N 3.4Å | ||
| 972 | N | 23.4 | Very low | 23.6 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 58% | 0.583 | 68% | 0.682 | S | S | * | * | trans | -49.6 | 119.3 | -172.7 | -177.3 | -10.8 | 0 | 0 | 0 | 111.1 | S970 Q974 S975 | S970-N972 VanDerWaalsContact C-N 3.25Å; S970-N972 PolarHBondContact O-N 2.68Å; N972-Q974 PolarHBondContact O-N 3.46Å; N972-Q974 PolarHBondContact OD1-N 3.44Å; N972-S975 PolarHBondContact O-N 2.85Å; N972-S975 PolarHBondContact O-OG 3.47Å; N972-S975 VanDerWaalsContact O-OG 3.05Å | ||
| 973 | K | 26.3 | Very low | 23.8 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -9.9 | -172.1 | -75.3 | -178.9 | 175.4 | 174.7 | 0 | 114.5 | V971 | V971-K973 PolarHBondContact O-N 3.4Š|
| 974 | Q | 24.8 | Very low | 23.9 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 60% | 0.598 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.7 | -30.4 | 170.5 | -113.5 | 65.2 | 6.6 | 0 | 0 | 114.1 | N972 V976 Y977 D978 | N972-Q974 PolarHBondContact O-N 3.46Å; N972-Q974 PolarHBondContact OD1-N 3.44Å; Q974-V976 PolarHBondContact O-N 3.2Å; Q974-Y977 WeakPolarHBondContact O-CB 3.36Å; Q974-Y977 PolarHBondContact O-N 3.11Å; Q974-Y977 VanDerWaalsContact O-N 3.16Å; Q974-D978 PolarHBondContact O-N 3.25Å |
| 975 | S | 24.7 | Very low | 24 | Very low | 61 Ų | 61 | 129.1 Ų | 129.1 | 43% | 0.427 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.5 | -32.4 | -168.8 | 67.2 | 0 | 0 | 0 | 0 | 114.2 | N972 Y977 D978 L979 | N972-S975 PolarHBondContact O-N 2.85Å; N972-S975 PolarHBondContact O-OG 3.47Å; N972-S975 VanDerWaalsContact O-OG 3.05Å; S975-Y977 VanDerWaalsContact C-N 3.35Å; S975-D978 PolarHBondContact O-N 2.84Å; S975-L979 PolarHBondContact O-N 3.03Å; S975-L979 VanDerWaalsContact O-N 3.08Å |
| 976 | V | 24.9 | Very low | 24.1 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.1 | -37.6 | 173.4 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | Q974 F980 | Q974-V976 PolarHBondContact O-N 3.2Å; V976-F980 HydrophobicContact CG1-CD2 4.42Å; V976-F980 PolarHBondContact O-N 2.91Å |
| 977 | Y | 24.2 | Very low | 24.1 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.1 | -40.3 | 173.9 | -101.7 | -81.2 | 0 | 0 | 0 | 111.9 | Q974 S975 F980 R981 | Q974-Y977 WeakPolarHBondContact O-CB 3.36Å; Q974-Y977 PolarHBondContact O-N 3.11Å; Q974-Y977 VanDerWaalsContact O-N 3.16Å; S975-Y977 VanDerWaalsContact C-N 3.35Å; Y977-F980 PolarHBondContact O-N 3.41Å; Y977-R981 VanDerWaalsContact O-CB 3.28Å; Y977-R981 WeakPolarHBondContact O-CB 3.22Å; Y977-R981 PolarHBondContact O-N 3.2Å |
| 978 | D | 25 | Very low | 24.2 | Very low | 61 Ų | 61 | 127 Ų | 127 | 33% | 0.326 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69.9 | -35.6 | 179.1 | -84.6 | -42.7 | 0 | 0 | 0 | 113.9 | Q974 S975 F980 R981 V982 | Q974-D978 PolarHBondContact O-N 3.25Å; S975-D978 PolarHBondContact O-N 2.84Å; D978-F980 VanDerWaalsContact C-N 3.34Å; D978-F980 PolarHBondContact O-N 3.39Å; D978-R981 PolarHBondContact O-N 2.79Å; D978-R981 IonicContact OD1-CZ 2.72Å; D978-R981 IonicContact OD1-NE 2.54Å; D978-R981 PolarHBondContact OD1-NE 3.2Å; D978-R981 IonicContact OD1-NH2 2.7Å; D978-R981 PolarHBondContact OD1-NH2 3.42Å; D978-R981 IonicContact OD2-NH2 2.75Å; D978-V982 WeakPolarHBondContact O-CG2 3.12Å; D978-V982 PolarHBondContact O-N 3.07Å |
| 979 | L | 25.3 | Very low | 24.3 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 72% | 0.723 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.2 | -36.2 | 176.5 | -166.1 | 64.2 | 0 | 0 | 0 | 112.4 | S975 | S975-L979 PolarHBondContact O-N 3.03Å; S975-L979 VanDerWaalsContact O-N 3.08Å |
| 980 | F | 24.4 | Very low | 24.4 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 72% | 0.719 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.5 | -30.4 | 171.3 | -84.6 | -78.9 | 0 | 0 | 0 | 113 | V976 Y977 D978 S984 | V976-F980 HydrophobicContact CG1-CD2 4.42Å; V976-F980 PolarHBondContact O-N 2.91Å; Y977-F980 PolarHBondContact O-N 3.41Å; D978-F980 VanDerWaalsContact C-N 3.34Å; D978-F980 PolarHBondContact O-N 3.39Å; F980-S984 WeakPolarHBondContact O-CB 3.28Å; F980-S984 PolarHBondContact O-N 3Å; F980-S984 PolarHBondContact O-OG 2.84Å |
| 981 | R | 25.8 | Very low | 24.4 | Very low | 139 Ų | 139 | 126 Ų | 126 | 53% | 0.525 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.3 | -44.7 | 175.6 | -172.7 | 155.6 | 66.1 | 154.7 | 0.1 | 112.2 | Y977 D978 K983 S984 Q985 | Y977-R981 VanDerWaalsContact O-CB 3.28Å; Y977-R981 WeakPolarHBondContact O-CB 3.22Å; Y977-R981 PolarHBondContact O-N 3.2Å; D978-R981 PolarHBondContact O-N 2.79Å; D978-R981 IonicContact OD1-CZ 2.72Å; D978-R981 IonicContact OD1-NE 2.54Å; D978-R981 PolarHBondContact OD1-NE 3.2Å; D978-R981 IonicContact OD1-NH2 2.7Å; D978-R981 PolarHBondContact OD1-NH2 3.42Å; D978-R981 IonicContact OD2-NH2 2.75Å; R981-K983 PolarHBondContact O-N 3.05Å; R981-S984 PolarHBondContact O-N 3.04Å; R981-S984 PolarHBondContact O-OG 2.83Å; R981-Q985 PolarHBondContact O-N 3.03Å |
| 982 | V | 25 | Very low | 24.3 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.3 | -41.3 | -175.9 | 169.2 | 0 | 0 | 0 | 0 | 112.9 | D978 | D978-V982 WeakPolarHBondContact O-CG2 3.12Å; D978-V982 PolarHBondContact O-N 3.07Å |
| 983 | K | 23.6 | Very low | 24.1 | Very low | 170 Ų | 170 | 134 Ų | 134 | 74% | 0.739 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -86.3 | -13.4 | -179.5 | -121.5 | 174.6 | -175.9 | 175.3 | 0 | 115.1 | R981 | R981-K983 PolarHBondContact O-N 3.05Å |
| 984 | S | 24.5 | Very low | 23.9 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -81.1 | -28.1 | 169.5 | 63 | 0 | 0 | 0 | 0 | 112.7 | F980 R981 | F980-S984 WeakPolarHBondContact O-CB 3.28Å; F980-S984 PolarHBondContact O-N 3Å; F980-S984 PolarHBondContact O-OG 2.84Å; R981-S984 PolarHBondContact O-N 3.04Å; R981-S984 PolarHBondContact O-OG 2.83Å |
| 985 | Q | 25.8 | Very low | 23.7 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 60% | 0.598 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -4 | -178.6 | -68.1 | -172.8 | -38.4 | 0 | 0 | 115.5 | R981 S988 | R981-Q985 PolarHBondContact O-N 3.03Å; Q985-S988 PolarHBondContact O-OG 3.4Å |
| 986 | Q | 24.5 | Very low | 23.5 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -0.3 | 172.2 | -78.9 | -162.8 | -27.8 | 0 | 0 | 115.1 | ||
| 987 | L | 21.9 | Very low | 23.3 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 87% | 0.869 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -109.8 | 9.8 | 174.5 | -72.7 | 169.9 | 0 | 0 | 0 | 113.6 | ||
| 988 | S | 23.3 | Very low | 23.3 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -108.1 | 13.1 | 175.5 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | Q985 | Q985-S988 PolarHBondContact O-OG 3.4Š|
| 989 | S | 23.8 | Very low | 23.1 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | trans | -106.7 | 91.2 | 165.6 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 990 | K | 23.4 | Very low | 22.9 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | 86.8 | 133.5 | 87.6 | -87.9 | -178.5 | 175 | 179 | 0 | 112.2 | |||||
| 991 | Q | 23.8 | Very low | 22.8 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | 66.4 | 111.1 | -174.9 | -49.2 | 177.5 | -7.8 | 0 | 0 | 110.9 | R993 | Q991-R993 HydrophobicContact CB-CG 3.74Š| ||
| 992 | Q | 21.9 | Very low | 22.7 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | cis | 50.3 | 37.5 | 29.3 | -143.8 | 179.2 | 15.4 | 0 | 0 | 111.6 | T994 | Q992-T994 PolarHBondContact O-N 3.43Š| ||
| 993 | R | 20.2 | Very low | 22.5 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | -84.1 | 99.6 | 159.8 | -66.6 | -160.3 | 175.7 | -169.3 | -2 | 108.3 | Q991 I995 | Q991-R993 HydrophobicContact CB-CG 3.74Å; R993-I995 HydrophobicContact CB-CG1 4.04Å; R993-I995 PolarHBondContact O-N 3.14Å | ||
| 994 | T | 22.1 | Very low | 22.3 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -58.1 | 86.8 | 153.5 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | Q992 | Q992-T994 PolarHBondContact O-N 3.43Š| ||
| 995 | I | 20.2 | Very low | 22.2 | Very low | 144 Ų | 144 | 140 Ų | 140 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -85.3 | 121.3 | 165.5 | -60.4 | -174.2 | 0 | 0 | 0 | 106.4 | R993 | R993-I995 HydrophobicContact CB-CG1 4.04Å; R993-I995 PolarHBondContact O-N 3.14Å | ||
| 996 | S | 20.1 | Very low | 22 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 57% | 0.566 | 76% | 0.764 | S | S | * | * | trans | -36.9 | 140.9 | -179.5 | 177.6 | 0 | 0 | 0 | 0 | 114.2 | S998 | S996-S998 WeakPolarHBondContact CB-OG 3.31Å; S996-S998 PolarHBondContact O-N 3.1Å; S996-S998 PolarHBondContact O-OG 2.83Å; S996-S998 PolarHBondContact OG-OG 3.35Å | ||
| 997 | S | 20.1 | Very low | 21.9 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -66.9 | 75.7 | 168 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 998 | S | 23.7 | Very low | 21.9 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 54% | 0.538 | 76% | 0.755 | S | S | . | * | trans | -159.8 | 83.5 | -176 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | S996 | S996-S998 WeakPolarHBondContact CB-OG 3.31Å; S996-S998 PolarHBondContact O-N 3.1Å; S996-S998 PolarHBondContact O-OG 2.83Å; S996-S998 PolarHBondContact OG-OG 3.35Å | ||
| 999 | L | 22.3 | Very low | 22 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 95% | 0.953 | 76% | 0.761 | S | S | * | * | trans | 177.2 | 58 | 152.6 | -97.2 | 159.7 | 0 | 0 | 0 | 111.1 | ||||
| 1000 | L | 21.2 | Very low | 21.9 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -114.4 | 162.6 | 148.7 | -105.1 | 169.5 | 0 | 0 | 0 | 106.9 | ||||
| 1001 | L | 22.1 | Very low | 21.9 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | trans | 76.4 | 100.2 | -169 | -63.8 | 104.8 | 0 | 0 | 0 | 116.7 | ||||
| 1002 | S | 22.6 | Very low | 21.8 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | S | Bend | -143.4 | 147.7 | 126.9 | 64.2 | 0 | 0 | 0 | 0 | 109.1 | |||
| 1003 | H | 22 | Very low | 21.7 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 57.8 | 61 | 173.9 | -57.7 | -73.4 | 0 | 0 | 0 | 118.7 | ||
| 1004 | L | 19.9 | Very low | 21.9 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | -147.2 | 100.5 | 129.6 | -105.6 | 172.1 | 0 | 0 | 0 | 108 | |||||
| 1005 | S | 22.2 | Very low | 21.9 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | trans | -91.8 | 123.7 | 167.1 | 147.2 | 0 | 0 | 0 | 0 | 108 | D1007 | S1005-D1007 PolarHBondContact OG-OD2 3.48Š| ||
| 1006 | M | 21.5 | Very low | 22 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -145.8 | 105.4 | 145.8 | -89.7 | -61.9 | 99.1 | 0 | 0 | 105.7 | ||||
| 1007 | D | 21.8 | Very low | 22.1 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | -83.9 | 153.4 | -171.1 | -59.9 | -97.7 | 0 | 0 | 0 | 111.5 | S1005 | S1005-D1007 PolarHBondContact OG-OD2 3.48Š| ||
| 1008 | N | 22.7 | Very low | 22.2 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | 58.8 | 133.3 | 158 | -53.2 | -17.6 | 0 | 0 | 0 | 117.8 | ||||
| 1009 | D | 23.5 | Very low | 22 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | cis | -149.3 | 150 | 23.2 | -117.6 | -41.2 | 0 | 0 | 0 | 113.5 | S1011 | D1009-S1011 PolarHBondContact O-N 3.46Š| ||
| 1010 | S | 22.6 | Very low | 22 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -89.7 | 95.4 | 178 | 56.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1011 | S | 23.8 | Very low | 22 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -145.4 | 89.8 | 160.1 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | D1009 P1013 | D1009-S1011 PolarHBondContact O-N 3.46Å; S1011-P1013 WeakPolarHBondContact O-CD 3.44Å | ||
| 1012 | I | 20.8 | Very low | 22 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -62 | 115.9 | 167.8 | -63.3 | 169.6 | 0 | 0 | 0 | 107.2 | S1014 | I1012-S1014 PolarHBondContact O-N 3.35Š| ||
| 1013 | P | 21.4 | Very low | 21.9 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -69.3 | 105.1 | -172.5 | -22.4 | 35.7 | 0 | 0 | 0 | 111.4 | S1011 A1015 | S1011-P1013 WeakPolarHBondContact O-CD 3.44Å; P1013-A1015 PolarHBondContact O-N 3.39Å | ||
| 1014 | S | 22.9 | Very low | 21.9 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -72.4 | 45.1 | 174.4 | 41.5 | 0 | 0 | 0 | 0 | 112.4 | I1012 | I1012-S1014 PolarHBondContact O-N 3.35Š| ||
| 1015 | A | 23.3 | Very low | 22 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | trans | -103.3 | 6.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1013 V1017 | P1013-A1015 PolarHBondContact O-N 3.39Å; A1015-V1017 PolarHBondContact O-N 3.19Å | ||
| 1016 | L | 21.7 | Very low | 21.9 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -74.4 | 0.5 | 164.1 | -107.6 | 167.3 | 0 | 0 | 0 | 112.7 | S1018 | L1016-S1018 PolarHBondContact O-N 2.84Š|
| 1017 | V | 22.8 | Very low | 21.9 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 61.7 | 178 | -168.4 | 0 | 0 | 0 | 0 | 111 | A1015 | A1015-V1017 PolarHBondContact O-N 3.19Š|
| 1018 | S | 21.8 | Very low | 22.1 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.6 | 10.7 | 169.1 | 59.9 | 0 | 0 | 0 | 0 | 116.6 | L1016 K1020 | L1016-S1018 PolarHBondContact O-N 2.84Å; S1018-K1020 PolarHBondContact O-N 3.02Å |
| 1019 | C | 19.8 | Very low | 22.2 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -91.6 | 75.8 | 164.3 | -80 | 0 | 0 | 0 | 0 | 110.9 | I1021 | C1019-I1021 VanDerWaalsContact C-N 3.26Å; C1019-I1021 PolarHBondContact O-N 2.97Å | ||
| 1020 | K | 22.1 | Very low | 22.2 | Very low | 212 Ų | 212 | 137.7 Ų | 137.7 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -65.1 | 85.6 | 164.6 | -77.4 | -175.4 | 174.5 | -178.1 | 0 | 109.5 | S1018 | S1018-K1020 PolarHBondContact O-N 3.02Š| ||
| 1021 | I | 21.4 | Very low | 22.5 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 117 | 156.8 | -60.8 | -178.6 | 0 | 0 | 0 | 105.6 | C1019 T1023 | C1019-I1021 VanDerWaalsContact C-N 3.26Å; C1019-I1021 PolarHBondContact O-N 2.97Å; I1021-T1023 PolarHBondContact O-N 3.1Å |
| 1022 | S | 21.2 | Very low | 22.7 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.3 | -172.7 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | P1024 | S1022-P1024 WeakPolarHBondContact O-CD 3.24Š|
| 1023 | T | 21 | Very low | 23.3 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59 | 118.5 | 165.1 | 43.2 | 0 | 0 | 0 | 0 | 108.9 | I1021 | I1021-T1023 PolarHBondContact O-N 3.1Š|
| 1024 | P | 21.3 | Very low | 24 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 136.2 | 157.8 | 30.3 | -31.9 | 0 | 0 | 0 | 107.4 | S1022 F1026 | S1022-P1024 WeakPolarHBondContact O-CD 3.24Å; P1024-F1026 PolarHBondContact O-N 3.36Å |
| 1025 | E | 21.8 | Very low | 24.7 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 120.1 | 178.6 | -66.9 | 163.4 | 144.1 | 0 | 0 | 108.7 | ||
| 1026 | F | 21.3 | Very low | 25.3 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 124.8 | 171.6 | -99.8 | -91.3 | 0 | 0 | 0 | 108.1 | P1024 D1028 | P1024-F1026 PolarHBondContact O-N 3.36Å; F1026-D1028 PolarHBondContact O-N 3.05Å |
| 1027 | D | 21.9 | Very low | 26.1 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 123.7 | 174 | -95.3 | -50.4 | 0 | 0 | 0 | 111 | ||
| 1028 | D | 24.4 | Very low | 27.1 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 163.2 | 163.7 | -86.1 | -52.5 | 0 | 0 | 0 | 110.6 | F1026 | F1026-D1028 PolarHBondContact O-N 3.05Š|
| 1029 | N | 26 | Very low | 28.3 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | 82.1 | 59.8 | 172.1 | -43.1 | -78.7 | 0 | 0 | 0 | 117.4 | ||||
| 1030 | L | 23.3 | Very low | 29.5 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | trans | -113.7 | 91.5 | 142.9 | -160 | 77.1 | 0 | 0 | 0 | 110.6 | L1032 | L1030-L1032 PolarHBondContact O-N 2.73Š| ||
| 1031 | P | 29.1 | Very low | 30.7 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | trans | -67.7 | 127.7 | -173.4 | 26.4 | -33.9 | 0 | 0 | 0 | 111.8 | T1033 | P1031-T1033 PolarHBondContact O-N 2.89Š| ||
| 1032 | L | 27.4 | Very low | 32 | Very low | 132 Ų | 132 | 123 Ų | 123 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | trans | -67.3 | 98.2 | 167.8 | -97.1 | 74.6 | 0 | 0 | 0 | 109.2 | L1030 | L1030-L1032 PolarHBondContact O-N 2.73Š| ||
| 1033 | T | 33.7 | Very low | 33.2 | Very low | 65 Ų | 65 | 122.3 Ų | 122.3 | 40% | 0.399 | 62% | 0.62 | S | S | . | * | trans | -59.5 | 138 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | P1031 Q1035 R1036 | P1031-T1033 PolarHBondContact O-N 2.89Å; T1033-Q1035 PolarHBondContact O-N 3.32Å; T1033-R1036 PolarHBondContact O-N 3.37Å | ||
| 1034 | E | 35 | Very low | 34.5 | Very low | 147 Ų | 147 | 116.6 Ų | 116.6 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55.9 | -26.6 | 177.7 | -67.9 | -175.3 | 112.3 | 0 | 0 | 112.7 | R1036 T1037 F1038 | E1034-R1036 VanDerWaalsContact C-N 3.34Å; E1034-R1036 PolarHBondContact O-N 2.75Å; E1034-T1037 PolarHBondContact O-N 3.22Å; E1034-T1037 PolarHBondContact O-OG1 3.42Å; E1034-F1038 WeakPolarHBondContact O-CB 3.33Å; E1034-F1038 PolarHBondContact O-N 3.4Å |
| 1035 | Q | 37.9 | Very low | 35.9 | Very low | 152 Ų | 152 | 114 Ų | 114 | 71% | 0.71 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.6 | -43.8 | 172.1 | -69.3 | 177.9 | -18.1 | 0 | 0 | 112.1 | T1033 T1037 F1038 E1039 | T1033-Q1035 PolarHBondContact O-N 3.32Å; Q1035-T1037 PolarHBondContact O-N 2.9Å; Q1035-F1038 PolarHBondContact O-N 3.12Å; Q1035-E1039 WeakPolarHBondContact O-CB 3.41Å; Q1035-E1039 VanDerWaalsContact O-CG 3.29Å; Q1035-E1039 WeakPolarHBondContact O-CG 3.43Å; Q1035-E1039 PolarHBondContact O-N 2.98Å |
| 1036 | R | 37 | Very low | 37.4 | Very low | 164 Ų | 164 | 106.2 Ų | 106.2 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.5 | -35.9 | 178.7 | -74.1 | -177.5 | 174 | -176.4 | -0.3 | 112.2 | T1033 E1034 L1040 | T1033-R1036 PolarHBondContact O-N 3.37Å; E1034-R1036 VanDerWaalsContact C-N 3.34Å; E1034-R1036 PolarHBondContact O-N 2.75Å; R1036-L1040 WeakPolarHBondContact O-CB 3.48Å; R1036-L1040 PolarHBondContact O-N 3.48Å |
| 1037 | T | 38.7 | Very low | 38.8 | Very low | 65 Ų | 65 | 97.9 Ų | 97.9 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.2 | -34 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | E1034 Q1035 L1041 | E1034-T1037 PolarHBondContact O-N 3.22Å; E1034-T1037 PolarHBondContact O-OG1 3.42Å; Q1035-T1037 PolarHBondContact O-N 2.9Å; T1037-L1041 WeakPolarHBondContact O-CB 3.21Å; T1037-L1041 WeakPolarHBondContact O-CG 3.4Å; T1037-L1041 PolarHBondContact O-N 3.48Å |
| 1038 | F | 43.9 | Very low | 40.2 | Very low | 131 Ų | 131 | 90.8 Ų | 90.8 | 58% | 0.575 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.1 | -42.6 | 171.7 | -107.6 | -82.1 | 0 | 0 | 0 | 113.1 | E1034 Q1035 L1041 K1042 | E1034-F1038 WeakPolarHBondContact O-CB 3.33Å; E1034-F1038 PolarHBondContact O-N 3.4Å; Q1035-F1038 PolarHBondContact O-N 3.12Å; F1038-L1041 PolarHBondContact O-N 2.77Å; F1038-K1042 WeakPolarHBondContact O-CG 3.33Å; F1038-K1042 PolarHBondContact O-N 3.24Å |
| 1039 | E | 46.7 | Very low | 41.4 | Very low | 97 Ų | 97 | 88 Ų | 88 | 45% | 0.453 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 173.5 | -73.5 | -65.8 | 105.9 | 0 | 0 | 110.8 | Q1035 L1041 K1042 I1043 | Q1035-E1039 WeakPolarHBondContact O-CB 3.41Å; Q1035-E1039 VanDerWaalsContact O-CG 3.29Å; Q1035-E1039 WeakPolarHBondContact O-CG 3.43Å; Q1035-E1039 PolarHBondContact O-N 2.98Å; E1039-L1041 VanDerWaalsContact C-N 3.3Å; E1039-L1041 PolarHBondContact O-N 3.34Å; E1039-K1042 WeakPolarHBondContact O-CB 3.33Å; E1039-K1042 PolarHBondContact O-N 2.93Å; E1039-K1042 VanDerWaalsContact O-N 3.16Å; E1039-K1042 IonicContact OE1-NZ 3.23Å; E1039-K1042 PolarHBondContact OE1-NZ 3.35Å; E1039-I1043 VanDerWaalsContact O-CG1 3.32Å; E1039-I1043 WeakPolarHBondContact O-CG1 3.46Å; E1039-I1043 PolarHBondContact O-N 3.5Å |
| 1040 | L | 44.7 | Very low | 42.5 | Very low | 47 Ų | 47 | 84.5 Ų | 84.5 | 25% | 0.246 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 175 | -159.3 | 88.8 | 0 | 0 | 0 | 112.2 | R1036 T1044 L1220 T1224 | R1036-L1040 WeakPolarHBondContact O-CB 3.48Å; R1036-L1040 PolarHBondContact O-N 3.48Å; L1040-T1044 WeakPolarHBondContact O-CB 3.46Å; L1040-T1044 WeakPolarHBondContact O-CG2 3.27Å; L1040-T1044 PolarHBondContact O-N 3.21Å; L1040-T1044 PolarHBondContact O-OG1 3.07Å; L1040-L1220 HydrophobicContact CD1-CD1 4.37Å; L1040-L1220 HydrophobicContact CD2-CD1 3.93Å; L1040-T1224 HydrophobicContact CD1-CG2 4.44Å |
| 1041 | L | 47 | Very low | 43.7 | Very low | 40 Ų | 40 | 77.7 Ų | 77.7 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.2 | -37 | 175 | -79.2 | 170.6 | 0 | 0 | 0 | 112.7 | T1037 F1038 E1039 T1044 S1045 L1121 V1124 | T1037-L1041 WeakPolarHBondContact O-CB 3.21Å; T1037-L1041 WeakPolarHBondContact O-CG 3.4Å; T1037-L1041 PolarHBondContact O-N 3.48Å; F1038-L1041 PolarHBondContact O-N 2.77Å; E1039-L1041 VanDerWaalsContact C-N 3.3Å; E1039-L1041 PolarHBondContact O-N 3.34Å; L1041-T1044 WeakPolarHBondContact CA-OG1 3.47Å; L1041-T1044 PolarHBondContact O-OG1 3.5Å; L1041-S1045 WeakPolarHBondContact O-CB 3.5Å; L1041-S1045 PolarHBondContact O-N 2.94Å; L1041-S1045 PolarHBondContact O-OG 2.83Å; L1041-S1045 VanDerWaalsContact O-OG 3.12Å; L1041-L1121 HydrophobicContact CD2-CD1 3.52Å; L1041-V1124 HydrophobicContact CD2-CG1 4.11Å |
| 1042 | K | 49.8 | Very low | 44.6 | Very low | 121 Ų | 121 | 78.1 Ų | 78.1 | 53% | 0.526 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.3 | -53.3 | 171.8 | -71.8 | 175.8 | -171.3 | 164.4 | 0 | 110.6 | F1038 E1039 T1044 S1045 G1046 | F1038-K1042 WeakPolarHBondContact O-CG 3.33Å; F1038-K1042 PolarHBondContact O-N 3.24Å; E1039-K1042 WeakPolarHBondContact O-CB 3.33Å; E1039-K1042 PolarHBondContact O-N 2.93Å; E1039-K1042 VanDerWaalsContact O-N 3.16Å; E1039-K1042 IonicContact OE1-NZ 3.23Å; E1039-K1042 PolarHBondContact OE1-NZ 3.35Å; K1042-T1044 PolarHBondContact O-N 3.4Å; K1042-S1045 PolarHBondContact O-N 2.84Å; K1042-S1045 VanDerWaalsContact O-N 3.1Å; K1042-S1045 PolarHBondContact O-OG 3.4Å; K1042-G1046 PolarHBondContact O-N 3.21Å |
| 1043 | I | 46.5 | Very low | 45.7 | Very low | 90 Ų | 90 | 78.1 Ų | 78.1 | 46% | 0.462 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.3 | -50.7 | -179.3 | -66.7 | 164.5 | 0 | 0 | 0 | 110.2 | E1039 S1045 G1046 C1047 L1227 | E1039-I1043 VanDerWaalsContact O-CG1 3.32Å; E1039-I1043 WeakPolarHBondContact O-CG1 3.46Å; E1039-I1043 PolarHBondContact O-N 3.5Å; I1043-S1045 VanDerWaalsContact C-N 3.31Å; I1043-S1045 PolarHBondContact O-N 3.05Å; I1043-G1046 PolarHBondContact O-N 3.41Å; I1043-C1047 PolarHBondContact O-N 3.01Å; I1043-C1047 PolarHBondContact O-SG 3.14Å; I1043-C1047 VanDerWaalsContact O-SG 3.34Å; I1043-L1227 HydrophobicContact CG2-CD2 4.21Å |
| 1044 | T | 47.8 | Very low | 46.5 | Very low | 7 Ų | 7 | 75.3 Ų | 75.3 | 4% | 0.043 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.8 | -29.5 | 178.7 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | L1040 L1041 K1042 L1048 F1223 | L1040-T1044 WeakPolarHBondContact O-CB 3.46Å; L1040-T1044 WeakPolarHBondContact O-CG2 3.27Å; L1040-T1044 PolarHBondContact O-N 3.21Å; L1040-T1044 PolarHBondContact O-OG1 3.07Å; L1041-T1044 WeakPolarHBondContact CA-OG1 3.47Å; L1041-T1044 PolarHBondContact O-OG1 3.5Å; K1042-T1044 PolarHBondContact O-N 3.4Å; T1044-L1048 VanDerWaalsContact O-CB 3.25Å; T1044-L1048 WeakPolarHBondContact O-CB 3.39Å; T1044-L1048 PolarHBondContact O-N 2.79Å; T1044-F1223 HydrophobicContact CG2-CE1 3.62Å; T1044-F1223 HydrophobicContact CG2-CZ 3.91Å |
| 1045 | S | 49.1 | Very low | 47.2 | Very low | 43 Ų | 43 | 69.8 Ų | 69.8 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.4 | -43.7 | 170.4 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | L1041 K1042 I1043 C1047 L1048 D1049 | L1041-S1045 WeakPolarHBondContact O-CB 3.5Å; L1041-S1045 PolarHBondContact O-N 2.94Å; L1041-S1045 PolarHBondContact O-OG 2.83Å; L1041-S1045 VanDerWaalsContact O-OG 3.12Å; K1042-S1045 PolarHBondContact O-N 2.84Å; K1042-S1045 VanDerWaalsContact O-N 3.1Å; K1042-S1045 PolarHBondContact O-OG 3.4Å; I1043-S1045 VanDerWaalsContact C-N 3.31Å; I1043-S1045 PolarHBondContact O-N 3.05Å; S1045-C1047 PolarHBondContact O-N 3.26Å; S1045-L1048 WeakPolarHBondContact O-CB 3.33Å; S1045-L1048 PolarHBondContact O-N 3.03Å; S1045-L1048 VanDerWaalsContact O-N 3.13Å; S1045-D1049 PolarHBondContact O-N 3.08Å |
| 1046 | G | 55.1 | Low | 47.5 | Very low | 33 Ų | 33 | 67.3 Ų | 67.3 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1042 I1043 L1048 D1049 I1050 | K1042-G1046 PolarHBondContact O-N 3.21Å; I1043-G1046 PolarHBondContact O-N 3.41Å; G1046-L1048 VanDerWaalsContact C-N 3.33Å; G1046-L1048 PolarHBondContact O-N 3.28Å; G1046-D1049 PolarHBondContact O-N 3.26Å; G1046-I1050 WeakPolarHBondContact O-CG1 3.35Å; G1046-I1050 PolarHBondContact O-N 3.07Å |
| 1047 | C | 50.7 | Low | 48.1 | Very low | 15 Ų | 15 | 62.4 Ų | 62.4 | 10% | 0.101 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 172.7 | -63.5 | 0 | 0 | 0 | 0 | 112 | I1043 S1045 D1049 I1050 F1051 L1227 | I1043-C1047 PolarHBondContact O-N 3.01Å; I1043-C1047 PolarHBondContact O-SG 3.14Å; I1043-C1047 VanDerWaalsContact O-SG 3.34Å; S1045-C1047 PolarHBondContact O-N 3.26Å; C1047-D1049 VanDerWaalsContact C-N 3.26Å; C1047-D1049 PolarHBondContact O-N 3.3Å; C1047-I1050 PolarHBondContact O-N 3.22Å; C1047-F1051 HydrophobicContact CB-CD2 4.42Å; C1047-F1051 HydrophobicContact CB-CE2 4.1Å; C1047-F1051 WeakPolarHBondContact O-CD2 3.49Å; C1047-F1051 WeakPolarHBondContact O-CG 3.39Å; C1047-F1051 PolarHBondContact O-N 3.36Å; C1047-L1227 HydrophobicContact CB-CD1 4.24Å |
| 1048 | L | 50.4 | Low | 48.5 | Very low | 17 Ų | 17 | 59.3 Ų | 59.3 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -31.6 | 178.1 | -175.5 | 67 | 0 | 0 | 0 | 112.7 | T1044 S1045 G1046 K1052 V1114 L1117 L1121 | T1044-L1048 VanDerWaalsContact O-CB 3.25Å; T1044-L1048 WeakPolarHBondContact O-CB 3.39Å; T1044-L1048 PolarHBondContact O-N 2.79Å; S1045-L1048 WeakPolarHBondContact O-CB 3.33Å; S1045-L1048 PolarHBondContact O-N 3.03Å; S1045-L1048 VanDerWaalsContact O-N 3.13Å; G1046-L1048 VanDerWaalsContact C-N 3.33Å; G1046-L1048 PolarHBondContact O-N 3.28Å; L1048-K1052 WeakPolarHBondContact O-CG 3.39Å; L1048-K1052 PolarHBondContact O-N 3.13Å; L1048-V1114 HydrophobicContact CD1-CG1 3.95Å; L1048-L1117 HydrophobicContact CD1-CD2 4.49Å; L1048-L1121 HydrophobicContact CD2-CD2 4.06Å |
| 1049 | D | 49 | Very low | 48.7 | Very low | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.6 | -39.9 | 175.7 | -68.2 | -34 | 0 | 0 | 0 | 111.9 | S1045 G1046 C1047 F1051 K1052 E1053 | S1045-D1049 PolarHBondContact O-N 3.08Å; G1046-D1049 PolarHBondContact O-N 3.26Å; C1047-D1049 VanDerWaalsContact C-N 3.26Å; C1047-D1049 PolarHBondContact O-N 3.3Å; D1049-F1051 VanDerWaalsContact C-N 3.33Å; D1049-F1051 PolarHBondContact O-N 3.11Å; D1049-K1052 WeakPolarHBondContact O-CB 3.34Å; D1049-K1052 PolarHBondContact O-N 3.41Å; D1049-K1052 WeakPolarHBondContact OD1-CE 3.48Å; D1049-K1052 IonicContact OD1-NZ 2.75Å; D1049-K1052 PolarHBondContact OD1-NZ 2.83Å; D1049-E1053 PolarHBondContact O-N 3.39Å; D1049-E1053 VanDerWaalsContact O-N 3.13Å |
| 1050 | I | 49.6 | Very low | 48.6 | Very low | 77 Ų | 77 | 55.5 Ų | 55.5 | 40% | 0.395 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.3 | -45.1 | 169.9 | -65.5 | 164.3 | 0 | 0 | 0 | 110.9 | G1046 C1047 K1052 E1053 V1054 | G1046-I1050 WeakPolarHBondContact O-CG1 3.35Å; G1046-I1050 PolarHBondContact O-N 3.07Å; C1047-I1050 PolarHBondContact O-N 3.22Å; I1050-K1052 PolarHBondContact O-N 3.01Å; I1050-E1053 PolarHBondContact O-N 3.26Å; I1050-V1054 HydrophobicContact CG2-CG2 4.45Å; I1050-V1054 WeakPolarHBondContact O-CG2 3.25Å; I1050-V1054 PolarHBondContact O-N 3.29Å; I1050-V1054 VanDerWaalsContact O-N 3.1Å |
| 1051 | F | 48.8 | Very low | 48.8 | Very low | 7 Ų | 7 | 54.5 Ų | 54.5 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -23 | 176.1 | -70.6 | -59.5 | 0 | 0 | 0 | 113.3 | C1047 D1049 L1055 L1110 V1114 L1227 L1230 V1234 | C1047-F1051 HydrophobicContact CB-CD2 4.42Å; C1047-F1051 HydrophobicContact CB-CE2 4.1Å; C1047-F1051 WeakPolarHBondContact O-CD2 3.49Å; C1047-F1051 WeakPolarHBondContact O-CG 3.39Å; C1047-F1051 PolarHBondContact O-N 3.36Å; D1049-F1051 VanDerWaalsContact C-N 3.33Å; D1049-F1051 PolarHBondContact O-N 3.11Å; F1051-L1055 WeakPolarHBondContact O-CB 3.43Å; F1051-L1055 WeakPolarHBondContact O-CD1 3.18Å; F1051-L1055 VanDerWaalsContact O-CG 3.25Å; F1051-L1055 WeakPolarHBondContact O-CG 3.42Å; F1051-L1055 PolarHBondContact O-N 3.25Å; F1051-L1110 HydrophobicContact CD1-CD2 4.05Å; F1051-V1114 HydrophobicContact CB-CG2 3.81Å; F1051-V1114 HydrophobicContact CG-CG2 4.16Å; F1051-L1227 HydrophobicContact CE2-CD1 4.38Å; F1051-L1230 HydrophobicContact CE1-CB 4.42Å; F1051-L1230 HydrophobicContact CZ-CB 4.01Å; F1051-V1234 HydrophobicContact CD1-CG2 3.9Å; F1051-V1234 HydrophobicContact CE1-CG2 3.63Å |
| 1052 | K | 48.7 | Very low | 48.8 | Very low | 110 Ų | 110 | 53.9 Ų | 53.9 | 48% | 0.478 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -75.9 | -48.5 | 172.8 | -68.1 | 167.2 | -162.6 | 167.8 | 0 | 111.5 | L1048 D1049 I1050 V1054 L1055 L1056 | L1048-K1052 WeakPolarHBondContact O-CG 3.39Å; L1048-K1052 PolarHBondContact O-N 3.13Å; D1049-K1052 WeakPolarHBondContact O-CB 3.34Å; D1049-K1052 PolarHBondContact O-N 3.41Å; D1049-K1052 WeakPolarHBondContact OD1-CE 3.48Å; D1049-K1052 IonicContact OD1-NZ 2.75Å; D1049-K1052 PolarHBondContact OD1-NZ 2.83Å; I1050-K1052 PolarHBondContact O-N 3.01Å; K1052-V1054 VanDerWaalsContact C-N 3.28Å; K1052-V1054 PolarHBondContact O-N 2.92Å; K1052-L1055 PolarHBondContact O-N 2.87Å; K1052-L1056 WeakPolarHBondContact O-CB 3.28Å; K1052-L1056 PolarHBondContact O-N 2.97Å |
| 1053 | E | 50.2 | Low | 48.8 | Very low | 133 Ų | 133 | 52.9 Ų | 52.9 | 62% | 0.621 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -52.5 | -49.5 | 177.4 | -73.8 | -71.2 | 119.5 | 0 | 0 | 110.2 | D1049 I1050 L1055 L1056 T1057 | D1049-E1053 PolarHBondContact O-N 3.39Å; D1049-E1053 VanDerWaalsContact O-N 3.13Å; I1050-E1053 PolarHBondContact O-N 3.26Å; E1053-L1055 PolarHBondContact O-N 3.16Å; E1053-L1056 WeakPolarHBondContact O-CA 3.44Å; E1053-L1056 WeakPolarHBondContact O-CB 3.02Å; E1053-L1056 PolarHBondContact O-N 3.16Å; E1053-T1057 PolarHBondContact O-N 2.96Å; E1053-T1057 PolarHBondContact O-OG1 2.98Å |
| 1054 | V | 50.8 | Low | 48.8 | Very low | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | -179.7 | 174.6 | 0 | 0 | 0 | 0 | 112.4 | I1050 K1052 L1056 T1057 E1058 V1234 | I1050-V1054 HydrophobicContact CG2-CG2 4.45Å; I1050-V1054 WeakPolarHBondContact O-CG2 3.25Å; I1050-V1054 PolarHBondContact O-N 3.29Å; I1050-V1054 VanDerWaalsContact O-N 3.1Å; K1052-V1054 VanDerWaalsContact C-N 3.28Å; K1052-V1054 PolarHBondContact O-N 2.92Å; V1054-L1056 PolarHBondContact O-N 3.43Å; V1054-T1057 PolarHBondContact O-OG1 3.04Å; V1054-E1058 WeakPolarHBondContact O-CB 3.49Å; V1054-E1058 PolarHBondContact O-N 2.85Å; V1054-V1234 HydrophobicContact CB-CG1 4.45Å; V1054-V1234 HydrophobicContact CG1-CG1 4.24Å; V1054-V1234 HydrophobicContact CG2-CG1 3.7Å |
| 1055 | L | 48.5 | Very low | 49 | Very low | 31 Ų | 31 | 49.6 Ų | 49.6 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.4 | -24.5 | 173.3 | -79.2 | 171.3 | 0 | 0 | 0 | 112.9 | F1051 K1052 E1053 S1059 L1107 L1110 K1111 V1114 | F1051-L1055 WeakPolarHBondContact O-CB 3.43Å; F1051-L1055 WeakPolarHBondContact O-CD1 3.18Å; F1051-L1055 VanDerWaalsContact O-CG 3.25Å; F1051-L1055 WeakPolarHBondContact O-CG 3.42Å; F1051-L1055 PolarHBondContact O-N 3.25Å; K1052-L1055 PolarHBondContact O-N 2.87Å; E1053-L1055 PolarHBondContact O-N 3.16Å; L1055-S1059 WeakPolarHBondContact O-CB 3.37Å; L1055-S1059 PolarHBondContact O-N 2.8Å; L1055-S1059 VanDerWaalsContact O-N 3.15Å; L1055-L1107 HydrophobicContact CD2-CD2 3.82Å; L1055-L1107 HydrophobicContact CD2-CG 4.07Å; L1055-L1110 HydrophobicContact CD1-CD2 4.08Å; L1055-L1110 HydrophobicContact CD2-CD2 4.19Å; L1055-L1110 HydrophobicContact CG-CD2 4.09Å; L1055-K1111 HydrophobicContact CD1-CG 4.5Å; L1055-K1111 HydrophobicContact CD2-CG 4.36Å; L1055-V1114 HydrophobicContact CD1-CG2 4.4Å |
| 1056 | L | 44.7 | Very low | 49 | Very low | 101 Ų | 101 | 52.7 Ų | 52.7 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -84.2 | -45.8 | -178.7 | -151.5 | 159.4 | 0 | 0 | 0 | 110.6 | K1052 E1053 V1054 E1058 S1059 M1060 | K1052-L1056 WeakPolarHBondContact O-CB 3.28Å; K1052-L1056 PolarHBondContact O-N 2.97Å; E1053-L1056 WeakPolarHBondContact O-CA 3.44Å; E1053-L1056 WeakPolarHBondContact O-CB 3.02Å; E1053-L1056 PolarHBondContact O-N 3.16Å; V1054-L1056 PolarHBondContact O-N 3.43Å; L1056-E1058 VanDerWaalsContact C-N 3.33Å; L1056-E1058 PolarHBondContact O-N 2.83Å; L1056-S1059 PolarHBondContact O-N 2.95Å; L1056-S1059 VanDerWaalsContact O-N 3.12Å; L1056-S1059 PolarHBondContact O-OG 3.36Å; L1056-M1060 HydrophobicContact CD2-SD 4.46Å; L1056-M1060 PolarHBondContact O-N 2.87Å; L1056-M1060 VanDerWaalsContact O-N 3.15Å |
| 1057 | T | 49 | Very low | 48.6 | Very low | 60 Ų | 60 | 52.8 Ų | 52.8 | 37% | 0.368 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 171.4 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | E1053 V1054 S1059 M1060 Y1061 | E1053-T1057 PolarHBondContact O-N 2.96Å; E1053-T1057 PolarHBondContact O-OG1 2.98Å; V1054-T1057 PolarHBondContact O-OG1 3.04Å; T1057-S1059 VanDerWaalsContact C-N 3.33Å; T1057-S1059 PolarHBondContact O-N 3.43Å; T1057-M1060 PolarHBondContact O-N 3.12Å; T1057-Y1061 PolarHBondContact O-N 2.95Å |
| 1058 | E | 48.7 | Very low | 48.3 | Very low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -36.5 | 172.2 | 178.7 | 170.5 | -153.1 | 0 | 0 | 112.8 | V1054 L1056 Y1061 N1062 L1107 Y1237 I1241 | V1054-E1058 WeakPolarHBondContact O-CB 3.49Å; V1054-E1058 PolarHBondContact O-N 2.85Å; L1056-E1058 VanDerWaalsContact C-N 3.33Å; L1056-E1058 PolarHBondContact O-N 2.83Å; E1058-Y1061 PolarHBondContact O-N 3.03Å; E1058-N1062 WeakPolarHBondContact CG-ND2 3.5Å; E1058-N1062 WeakPolarHBondContact O-CB 3.46Å; E1058-N1062 PolarHBondContact O-N 2.86Å; E1058-N1062 PolarHBondContact O-ND2 3.38Å; E1058-L1107 VanDerWaalsContact CD-CD1 3.44Å; E1058-L1107 HydrophobicContact CG-CD1 3.83Å; E1058-L1107 HydrophobicContact CG-CG 4.45Å; E1058-L1107 WeakPolarHBondContact OE2-CG 3.37Å; E1058-Y1237 HydrophobicContact CG-CE1 4.35Å; E1058-Y1237 WeakPolarHBondContact OE1-CE1 3.26Å; E1058-Y1237 PolarHBondContact OE1-OH 2.72Å; E1058-I1241 HydrophobicContact CB-CD1 3.86Å; E1058-I1241 HydrophobicContact CG-CD1 4.42Å |
| 1059 | S | 47 | Very low | 48 | Very low | 63 Ų | 63 | 54.4 Ų | 54.4 | 44% | 0.441 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.3 | -35.5 | 178.1 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | L1055 L1056 T1057 H1063 | L1055-S1059 WeakPolarHBondContact O-CB 3.37Å; L1055-S1059 PolarHBondContact O-N 2.8Å; L1055-S1059 VanDerWaalsContact O-N 3.15Å; L1056-S1059 PolarHBondContact O-N 2.95Å; L1056-S1059 VanDerWaalsContact O-N 3.12Å; L1056-S1059 PolarHBondContact O-OG 3.36Å; T1057-S1059 VanDerWaalsContact C-N 3.33Å; T1057-S1059 PolarHBondContact O-N 3.43Å; S1059-H1063 WeakPolarHBondContact O-CB 3.42Å; S1059-H1063 PolarHBondContact O-N 3.05Å |
| 1060 | M | 45 | Very low | 48 | Very low | 86 Ų | 86 | 53.2 Ų | 53.2 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.1 | -46.6 | 172.4 | -65.9 | 178.9 | 65.2 | 0 | 0 | 111 | L1056 T1057 N1062 H1063 D1064 | L1056-M1060 HydrophobicContact CD2-SD 4.46Å; L1056-M1060 PolarHBondContact O-N 2.87Å; L1056-M1060 VanDerWaalsContact O-N 3.15Å; T1057-M1060 PolarHBondContact O-N 3.12Å; M1060-N1062 PolarHBondContact O-N 2.8Å; M1060-H1063 PolarHBondContact O-N 3.37Å; M1060-H1063 VanDerWaalsContact O-N 3.14Å; M1060-D1064 PolarHBondContact O-N 3.03Å |
| 1061 | Y | 48.2 | Very low | 47.8 | Very low | 25 Ų | 25 | 50.2 Ų | 50.2 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 179.2 | 178.1 | -93.7 | 0 | 0 | 0 | 112.7 | T1057 E1058 H1063 D1064 L1065 W1240 I1241 S1244 | T1057-Y1061 PolarHBondContact O-N 2.95Å; E1058-Y1061 PolarHBondContact O-N 3.03Å; Y1061-H1063 VanDerWaalsContact C-N 3.3Å; Y1061-H1063 PolarHBondContact O-N 3.4Å; Y1061-D1064 PolarHBondContact O-N 3.43Å; Y1061-L1065 HydrophobicContact CE1-CD2 4.03Å; Y1061-L1065 WeakPolarHBondContact O-CB 3.33Å; Y1061-L1065 PolarHBondContact O-N 2.74Å; Y1061-W1240 HydrophobicContact CD1-CZ3 4.34Å; Y1061-W1240 AromaticContact CE1-CH2 3.67Å; Y1061-W1240 HydrophobicContact CE1-CH2 3.67Å; Y1061-W1240 AromaticContact CE1-CZ3 3.7Å; Y1061-W1240 HydrophobicContact CE1-CZ3 3.7Å; Y1061-W1240 AromaticContact CZ-CH2 3.79Å; Y1061-W1240 AromaticContact CZ-CZ3 3.99Å; Y1061-W1240 WeakPolarHBondContact OH-CH2 3.37Å; Y1061-I1241 HydrophobicContact CG-CG2 4.48Å; Y1061-S1244 WeakPolarHBondContact CE2-OG 3.41Å |
| 1062 | N | 48.2 | Very low | 47.4 | Very low | 27 Ų | 27 | 50.7 Ų | 50.7 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -33.7 | 176.9 | -78.7 | -73.6 | 0 | 0 | 0 | 112.2 | E1058 M1060 L1065 E1066 | E1058-N1062 WeakPolarHBondContact CG-ND2 3.5Å; E1058-N1062 WeakPolarHBondContact O-CB 3.46Å; E1058-N1062 PolarHBondContact O-N 2.86Å; E1058-N1062 PolarHBondContact O-ND2 3.38Å; M1060-N1062 PolarHBondContact O-N 2.8Å; N1062-L1065 PolarHBondContact O-N 3.26Å; N1062-E1066 WeakPolarHBondContact O-CB 3.41Å; N1062-E1066 PolarHBondContact O-N 2.83Å |
| 1063 | H | 48.9 | Very low | 47.4 | Very low | 101 Ų | 101 | 46.9 Ų | 46.9 | 47% | 0.468 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.2 | -42.7 | 175.8 | -171.4 | 56.2 | 0 | 0 | 0 | 112.2 | S1059 M1060 Y1061 L1065 E1066 F1067 | S1059-H1063 WeakPolarHBondContact O-CB 3.42Å; S1059-H1063 PolarHBondContact O-N 3.05Å; M1060-H1063 PolarHBondContact O-N 3.37Å; M1060-H1063 VanDerWaalsContact O-N 3.14Å; Y1061-H1063 VanDerWaalsContact C-N 3.3Å; Y1061-H1063 PolarHBondContact O-N 3.4Å; H1063-L1065 VanDerWaalsContact C-N 3.32Å; H1063-L1065 PolarHBondContact O-N 3.01Å; H1063-E1066 PolarHBondContact O-N 2.41Å; H1063-F1067 WeakPolarHBondContact O-CB 3.45Å; H1063-F1067 PolarHBondContact O-N 3.19Å |
| 1064 | D | 46.2 | Very low | 47.1 | Very low | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 173.1 | -79.6 | -21.9 | 0 | 0 | 0 | 111.6 | M1060 Y1061 L1068 L1248 R1320 Y1324 | M1060-D1064 PolarHBondContact O-N 3.03Å; Y1061-D1064 PolarHBondContact O-N 3.43Å; D1064-L1068 WeakPolarHBondContact O-CG 3.46Å; D1064-L1068 PolarHBondContact O-N 2.94Å; D1064-L1068 VanDerWaalsContact O-N 3.12Å; D1064-L1248 HydrophobicContact CB-CD2 3.75Å; D1064-R1320 IonicContact OD2-NH1 2.67Å; D1064-Y1324 WeakPolarHBondContact OD1-CE1 3.42Å; D1064-Y1324 PolarHBondContact OD1-OH 2.82Å |
| 1065 | L | 52.4 | Low | 46.7 | Very low | 20 Ų | 20 | 46 Ų | 46 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.5 | -33.6 | 177.9 | -166.7 | 64.9 | 0 | 0 | 0 | 112.8 | Y1061 N1062 H1063 M1069 L1096 I1100 | Y1061-L1065 HydrophobicContact CE1-CD2 4.03Å; Y1061-L1065 WeakPolarHBondContact O-CB 3.33Å; Y1061-L1065 PolarHBondContact O-N 2.74Å; N1062-L1065 PolarHBondContact O-N 3.26Å; H1063-L1065 VanDerWaalsContact C-N 3.32Å; H1063-L1065 PolarHBondContact O-N 3.01Å; L1065-M1069 PolarHBondContact O-N 2.75Å; L1065-L1096 HydrophobicContact CD1-CD2 4.41Å; L1065-I1100 HydrophobicContact CD2-CD1 4.34Å; L1065-I1100 HydrophobicContact CD2-CG1 3.75Å; L1065-I1100 HydrophobicContact CG-CD1 4.41Å; L1065-I1100 HydrophobicContact CG-CG1 4.34Å |
| 1066 | E | 49 | Very low | 46.3 | Very low | 109 Ų | 109 | 44.7 Ų | 44.7 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.1 | -39.9 | 173.1 | -175.3 | 170.5 | -149.5 | 0 | 0 | 111.7 | N1062 H1063 L1068 M1069 T1070 | N1062-E1066 WeakPolarHBondContact O-CB 3.41Å; N1062-E1066 PolarHBondContact O-N 2.83Å; H1063-E1066 PolarHBondContact O-N 2.41Å; E1066-L1068 VanDerWaalsContact C-N 3.33Å; E1066-L1068 PolarHBondContact O-N 3.18Å; E1066-M1069 WeakPolarHBondContact O-CA 2.98Å; E1066-M1069 WeakPolarHBondContact O-CB 3.25Å; E1066-M1069 PolarHBondContact O-N 3.38Å; E1066-T1070 HydrophobicContact CG-CG2 4.2Å; E1066-T1070 PolarHBondContact O-N 2.82Å; E1066-T1070 PolarHBondContact O-OG1 2.99Å |
| 1067 | F | 47.2 | Very low | 46.3 | Very low | 35 Ų | 35 | 42.9 Ų | 42.9 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 173.9 | 177.3 | -96 | 0 | 0 | 0 | 111.9 | H1063 M1069 T1070 A1071 W1252 I1333 | H1063-F1067 WeakPolarHBondContact O-CB 3.45Å; H1063-F1067 PolarHBondContact O-N 3.19Å; F1067-M1069 PolarHBondContact O-N 3.5Å; F1067-T1070 PolarHBondContact O-N 3.11Å; F1067-A1071 HydrophobicContact CD2-CB 4.44Å; F1067-A1071 HydrophobicContact CE2-CB 4.15Å; F1067-A1071 HydrophobicContact CZ-CB 4.19Å; F1067-A1071 VanDerWaalsContact O-CB 3.32Å; F1067-A1071 WeakPolarHBondContact O-CB 3.42Å; F1067-A1071 PolarHBondContact O-N 3.43Å; F1067-W1252 HydrophobicContact CD1-CH2 4.37Å; F1067-W1252 HydrophobicContact CD1-CZ2 4.29Å; F1067-W1252 AromaticContact CE1-CH2 3.77Å; F1067-W1252 HydrophobicContact CE1-CH2 3.77Å; F1067-W1252 HydrophobicContact CE1-CZ2 4.14Å; F1067-I1333 HydrophobicContact CZ-CD1 4.23Å |
| 1068 | L | 43.8 | Very low | 46.1 | Very low | 42 Ų | 42 | 44 Ų | 44 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.3 | -18.6 | 173.6 | -71.2 | 167 | 0 | 0 | 0 | 113.7 | D1064 E1066 P1072 L1248 W1337 | D1064-L1068 WeakPolarHBondContact O-CG 3.46Å; D1064-L1068 PolarHBondContact O-N 2.94Å; D1064-L1068 VanDerWaalsContact O-N 3.12Å; E1066-L1068 VanDerWaalsContact C-N 3.33Å; E1066-L1068 PolarHBondContact O-N 3.18Å; L1068-P1072 WeakPolarHBondContact O-CD 3.11Å; L1068-P1072 WeakPolarHBondContact O-CG 3.47Å; L1068-L1248 HydrophobicContact CD1-CD1 3.75Å; L1068-L1248 HydrophobicContact CD1-CD2 3.98Å; L1068-L1248 HydrophobicContact CD1-CG 4.24Å; L1068-W1337 HydrophobicContact CD2-CH2 3.78Å; L1068-W1337 HydrophobicContact CD2-CZ2 4.06Å |
| 1069 | M | 45.1 | Very low | 45.6 | Very low | 23 Ų | 23 | 51.3 Ų | 51.3 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -86.2 | -44.8 | 174.4 | -89.4 | -97 | 54.8 | 0 | 0 | 112.7 | L1065 E1066 F1067 L1093 L1096 I1100 | L1065-M1069 PolarHBondContact O-N 2.75Å; E1066-M1069 WeakPolarHBondContact O-CA 2.98Å; E1066-M1069 WeakPolarHBondContact O-CB 3.25Å; E1066-M1069 PolarHBondContact O-N 3.38Å; F1067-M1069 PolarHBondContact O-N 3.5Å; M1069-L1093 HydrophobicContact CE-CB 3.97Å; M1069-L1093 HydrophobicContact CE-CD1 3.84Å; M1069-L1093 HydrophobicContact CE-CG 3.88Å; M1069-L1093 HydrophobicContact SD-CG 4.24Å; M1069-L1096 HydrophobicContact CE-CD1 4.07Å; M1069-L1096 HydrophobicContact CG-CB 4.18Å; M1069-L1096 HydrophobicContact CG-CD1 3.76Å; M1069-L1096 HydrophobicContact SD-CB 3.58Å; M1069-L1096 VanDerWaalsContact SD-CB 3.58Å; M1069-L1096 HydrophobicContact SD-CD1 3.78Å; M1069-L1096 HydrophobicContact SD-CG 4.32Å; M1069-I1100 HydrophobicContact CG-CD1 4.07Å; M1069-I1100 HydrophobicContact SD-CD1 4.41Å |
| 1070 | T | 47.6 | Very low | 45.3 | Very low | 56 Ų | 56 | 54.8 Ų | 54.8 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -84.6 | -48.5 | -171.9 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | E1066 F1067 L1073 D1074 | E1066-T1070 HydrophobicContact CG-CG2 4.2Å; E1066-T1070 PolarHBondContact O-N 2.82Å; E1066-T1070 PolarHBondContact O-OG1 2.99Å; F1067-T1070 PolarHBondContact O-N 3.11Å; T1070-L1073 PolarHBondContact O-N 3.21Å; T1070-D1074 PolarHBondContact O-N 2.79Å |
| 1071 | A | 45.7 | Very low | 45 | Very low | 13 Ų | 13 | 52.3 Ų | 52.3 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.1 | -39.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1067 T1075 | F1067-A1071 HydrophobicContact CD2-CB 4.44Å; F1067-A1071 HydrophobicContact CE2-CB 4.15Å; F1067-A1071 HydrophobicContact CZ-CB 4.19Å; F1067-A1071 VanDerWaalsContact O-CB 3.32Å; F1067-A1071 WeakPolarHBondContact O-CB 3.42Å; F1067-A1071 PolarHBondContact O-N 3.43Å; A1071-T1075 WeakPolarHBondContact O-CB 3.5Å; A1071-T1075 WeakPolarHBondContact O-CG2 3.24Å; A1071-T1075 PolarHBondContact O-N 3.07Å; A1071-T1075 PolarHBondContact O-OG1 3.13Å |
| 1072 | P | 41.2 | Very low | 44.8 | Very low | 18 Ų | 18 | 56.2 Ų | 56.2 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.6 | -32.6 | 174.2 | -21.8 | 35.8 | 0 | 0 | 0 | 113.5 | L1068 T1075 A1076 L1088 W1337 | L1068-P1072 WeakPolarHBondContact O-CD 3.11Å; L1068-P1072 WeakPolarHBondContact O-CG 3.47Å; P1072-T1075 WeakPolarHBondContact CA-OG1 3.34Å; P1072-T1075 PolarHBondContact O-OG1 2.8Å; P1072-A1076 WeakPolarHBondContact O-CB 3.32Å; P1072-A1076 PolarHBondContact O-N 3.1Å; P1072-A1076 VanDerWaalsContact O-N 3.1Å; P1072-L1088 HydrophobicContact CB-CD1 4.26Å; P1072-L1088 HydrophobicContact CB-CD2 4.37Å; P1072-L1088 VanDerWaalsContact O-CD1 3.3Å; P1072-L1088 WeakPolarHBondContact O-CD1 3.47Å; P1072-W1337 HydrophobicContact CG-CZ2 4.45Å |
| 1073 | L | 47.8 | Very low | 44.5 | Very low | 29 Ų | 29 | 59.6 Ų | 59.6 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -76.2 | -45 | 179.6 | -175.5 | 63.5 | 0 | 0 | 0 | 111 | T1070 A1076 N1077 T1085 L1088 Q1089 L1093 | T1070-L1073 PolarHBondContact O-N 3.21Å; L1073-A1076 PolarHBondContact O-N 2.84Å; L1073-N1077 WeakPolarHBondContact O-CB 3.38Å; L1073-N1077 PolarHBondContact O-N 3.21Å; L1073-N1077 PolarHBondContact O-ND2 3.39Å; L1073-T1085 HydrophobicContact CD1-CG2 3.96Å; L1073-L1088 HydrophobicContact CD1-CB 4.24Å; L1073-Q1089 HydrophobicContact CD1-CG 3.88Å; L1073-L1093 HydrophobicContact CD2-CD1 4.1Å |
| 1074 | D | 44.5 | Very low | 44 | Very low | 96 Ų | 96 | 58.3 Ų | 58.3 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.2 | -34 | 177.6 | -71.8 | -27.1 | 0 | 0 | 0 | 112.2 | T1070 A1078 | T1070-D1074 PolarHBondContact O-N 2.79Å; D1074-A1078 VanDerWaalsContact O-CB 3.26Å; D1074-A1078 WeakPolarHBondContact O-CB 3.28Å; D1074-A1078 PolarHBondContact O-N 3.43Å |
| 1075 | T | 41.3 | Very low | 43.9 | Very low | 24 Ų | 24 | 58.7 Ų | 58.7 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.6 | -44.5 | 169.9 | 45.3 | 0 | 0 | 0 | 0 | 112.6 | A1071 P1072 N1077 A1078 F1079 I1333 | A1071-T1075 WeakPolarHBondContact O-CB 3.5Å; A1071-T1075 WeakPolarHBondContact O-CG2 3.24Å; A1071-T1075 PolarHBondContact O-N 3.07Å; A1071-T1075 PolarHBondContact O-OG1 3.13Å; P1072-T1075 WeakPolarHBondContact CA-OG1 3.34Å; P1072-T1075 PolarHBondContact O-OG1 2.8Å; T1075-N1077 PolarHBondContact O-N 2.73Å; T1075-A1078 PolarHBondContact O-N 2.77Å; T1075-F1079 WeakPolarHBondContact O-CD2 3.39Å; T1075-F1079 PolarHBondContact O-N 2.89Å; T1075-I1333 HydrophobicContact CG2-CG2 3.47Å; T1075-I1333 VanDerWaalsContact CG2-CG2 3.47Å |
| 1076 | A | 41.2 | Very low | 43.5 | Very low | 3 Ų | 3 | 62.8 Ų | 62.8 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1072 L1073 N1080 A1081 L1084 T1085 L1088 | P1072-A1076 WeakPolarHBondContact O-CB 3.32Å; P1072-A1076 PolarHBondContact O-N 3.1Å; P1072-A1076 VanDerWaalsContact O-N 3.1Å; L1073-A1076 PolarHBondContact O-N 2.84Å; A1076-N1080 PolarHBondContact O-N 2.83Å; A1076-A1081 PolarHBondContact O-N 2.78Å; A1076-L1084 HydrophobicContact CB-CB 4.3Å; A1076-L1084 HydrophobicContact CB-CD2 3.87Å; A1076-L1084 HydrophobicContact CB-CG 3.9Å; A1076-T1085 WeakPolarHBondContact CB-OG1 3.32Å; A1076-L1088 HydrophobicContact CB-CD1 3.88Å |
| 1077 | N | 45.4 | Very low | 43.6 | Very low | 64 Ų | 64 | 64.4 Ų | 64.4 | 34% | 0.342 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.5 | -45.3 | 174.2 | -67 | -21.4 | 0 | 0 | 0 | 112.5 | L1073 T1075 F1079 N1080 T1085 | L1073-N1077 WeakPolarHBondContact O-CB 3.38Å; L1073-N1077 PolarHBondContact O-N 3.21Å; L1073-N1077 PolarHBondContact O-ND2 3.39Å; T1075-N1077 PolarHBondContact O-N 2.73Å; N1077-F1079 PolarHBondContact O-N 3.24Å; N1077-N1080 PolarHBondContact O-N 3.09Å; N1077-T1085 WeakPolarHBondContact OD1-CG2 3.39Å; N1077-T1085 PolarHBondContact OD1-OG1 3.44Å |
| 1078 | A | 43 | Very low | 43.3 | Very low | 82 Ų | 82 | 63.5 Ų | 63.5 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.8 | -30.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1074 T1075 N1080 | D1074-A1078 VanDerWaalsContact O-CB 3.26Å; D1074-A1078 WeakPolarHBondContact O-CB 3.28Å; D1074-A1078 PolarHBondContact O-N 3.43Å; T1075-A1078 PolarHBondContact O-N 2.77Å; A1078-N1080 VanDerWaalsContact C-N 3.35Å |
| 1079 | F | 39.9 | Very low | 43.5 | Very low | 154 Ų | 154 | 64.5 Ų | 64.5 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 9.1 | 172.5 | -68.1 | -64.9 | 0 | 0 | 0 | 113.9 | T1075 N1077 A1081 | T1075-F1079 WeakPolarHBondContact O-CD2 3.39Å; T1075-F1079 PolarHBondContact O-N 2.89Å; N1077-F1079 PolarHBondContact O-N 3.24Å; F1079-A1081 PolarHBondContact O-N 2.78Å; F1079-A1081 VanDerWaalsContact O-N 3.07Å |
| 1080 | N | 39.3 | Very low | 43.5 | Very low | 137 Ų | 137 | 66.2 Ų | 66.2 | 73% | 0.733 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 28.5 | -175.8 | -73.9 | -36.7 | 0 | 0 | 0 | 114.2 | A1076 N1077 A1078 T1082 | A1076-N1080 PolarHBondContact O-N 2.83Å; N1077-N1080 PolarHBondContact O-N 3.09Å; A1078-N1080 VanDerWaalsContact C-N 3.35Å; N1080-T1082 PolarHBondContact O-N 3.34Å |
| 1081 | A | 39.9 | Very low | 43.2 | Very low | 33 Ų | 33 | 69 Ų | 69 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | trans | -80.8 | 65.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1076 F1079 S1083 L1084 T1085 | A1076-A1081 PolarHBondContact O-N 2.78Å; F1079-A1081 PolarHBondContact O-N 2.78Å; F1079-A1081 VanDerWaalsContact O-N 3.07Å; A1081-S1083 VanDerWaalsContact C-N 3.29Å; A1081-S1083 PolarHBondContact O-N 3.34Å; A1081-S1083 VanDerWaalsContact O-N 3.1Å; A1081-L1084 HydrophobicContact CB-CB 3.99Å; A1081-L1084 HydrophobicContact CB-CD2 4.48Å; A1081-L1084 WeakPolarHBondContact O-CA 3.45Å; A1081-L1084 WeakPolarHBondContact O-CB 3.24Å; A1081-L1084 PolarHBondContact O-N 2.86Å; A1081-T1085 PolarHBondContact O-N 3.37Å | ||
| 1082 | T | 43.7 | Very low | 43.1 | Very low | 108 Ų | 108 | 71 Ų | 71 | 66% | 0.663 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -48.5 | -42.6 | -170.6 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | N1080 L1084 T1085 H1086 | N1080-T1082 PolarHBondContact O-N 3.34Å; T1082-L1084 PolarHBondContact O-N 2.96Å; T1082-T1085 PolarHBondContact O-N 2.85Å; T1082-H1086 VanDerWaalsContact O-CB 3.27Å; T1082-H1086 WeakPolarHBondContact O-CB 3.08Å; T1082-H1086 PolarHBondContact O-N 2.73Å |
| 1083 | S | 41.5 | Very low | 43.4 | Very low | 98 Ų | 98 | 72.1 Ų | 72.1 | 69% | 0.685 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.8 | -35.2 | 175.8 | -61.3 | 0 | 0 | 0 | 0 | 113.5 | A1081 W1087 | A1081-S1083 VanDerWaalsContact C-N 3.29Å; A1081-S1083 PolarHBondContact O-N 3.34Å; A1081-S1083 VanDerWaalsContact O-N 3.1Å; S1083-W1087 WeakPolarHBondContact O-CB 3.29Å; S1083-W1087 PolarHBondContact O-N 2.82Å |
| 1084 | L | 39.2 | Very low | 43.3 | Very low | 74 Ų | 74 | 73.9 Ų | 73.9 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -74.6 | -44.4 | 175.5 | -179.6 | 62.4 | 0 | 0 | 0 | 110.8 | A1076 A1081 T1082 H1086 W1087 L1088 | A1076-L1084 HydrophobicContact CB-CB 4.3Å; A1076-L1084 HydrophobicContact CB-CD2 3.87Å; A1076-L1084 HydrophobicContact CB-CG 3.9Å; A1081-L1084 HydrophobicContact CB-CB 3.99Å; A1081-L1084 HydrophobicContact CB-CD2 4.48Å; A1081-L1084 WeakPolarHBondContact O-CA 3.45Å; A1081-L1084 WeakPolarHBondContact O-CB 3.24Å; A1081-L1084 PolarHBondContact O-N 2.86Å; T1082-L1084 PolarHBondContact O-N 2.96Å; L1084-H1086 VanDerWaalsContact C-N 3.34Å; L1084-H1086 PolarHBondContact O-N 2.71Å; L1084-W1087 PolarHBondContact O-N 3.46Å; L1084-L1088 HydrophobicContact CD1-CD1 4.37Å; L1084-L1088 HydrophobicContact CD1-CG 4.35Å; L1084-L1088 HydrophobicContact CG-CD1 4.09Å; L1084-L1088 WeakPolarHBondContact O-CB 3.2Å; L1084-L1088 WeakPolarHBondContact O-CG 3.4Å; L1084-L1088 PolarHBondContact O-N 3.2Å |
| 1085 | T | 42.5 | Very low | 43.2 | Very low | 15 Ų | 15 | 72.5 Ų | 72.5 | 9% | 0.092 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.2 | -50.6 | 171.4 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | L1073 A1076 N1077 A1081 T1082 W1087 L1088 Q1089 | L1073-T1085 HydrophobicContact CD1-CG2 3.96Å; A1076-T1085 WeakPolarHBondContact CB-OG1 3.32Å; N1077-T1085 WeakPolarHBondContact OD1-CG2 3.39Å; N1077-T1085 PolarHBondContact OD1-OG1 3.44Å; A1081-T1085 PolarHBondContact O-N 3.37Å; T1082-T1085 PolarHBondContact O-N 2.85Å; T1085-W1087 PolarHBondContact O-N 2.98Å; T1085-L1088 PolarHBondContact O-N 3.02Å; T1085-Q1089 HydrophobicContact CG2-CG 4.37Å; T1085-Q1089 WeakPolarHBondContact O-CB 3.44Å; T1085-Q1089 VanDerWaalsContact O-CG 3.29Å; T1085-Q1089 WeakPolarHBondContact O-CG 3.14Å; T1085-Q1089 PolarHBondContact O-N 3.22Å |
| 1086 | H | 45.2 | Very low | 43.3 | Very low | 106 Ų | 106 | 72.9 Ų | 72.9 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 178.5 | -174.7 | 75.8 | 0 | 0 | 0 | 112.1 | T1082 L1084 T1090 | T1082-H1086 VanDerWaalsContact O-CB 3.27Å; T1082-H1086 WeakPolarHBondContact O-CB 3.08Å; T1082-H1086 PolarHBondContact O-N 2.73Å; L1084-H1086 VanDerWaalsContact C-N 3.34Å; L1084-H1086 PolarHBondContact O-N 2.71Å; H1086-T1090 VanDerWaalsContact O-CB 3.32Å; H1086-T1090 WeakPolarHBondContact O-CB 3.19Å; H1086-T1090 VanDerWaalsContact O-CG2 3.28Å; H1086-T1090 WeakPolarHBondContact O-CG2 3.3Å; H1086-T1090 PolarHBondContact O-N 3.43Å; H1086-T1090 PolarHBondContact O-OG1 3.34Å |
| 1087 | W | 50.2 | Low | 43.6 | Very low | 142 Ų | 142 | 79 Ų | 79 | 54% | 0.538 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.6 | -175.3 | 93.8 | 0 | 0 | 0 | 112.1 | S1083 L1084 T1085 T1090 R1091 | S1083-W1087 WeakPolarHBondContact O-CB 3.29Å; S1083-W1087 PolarHBondContact O-N 2.82Å; L1084-W1087 PolarHBondContact O-N 3.46Å; T1085-W1087 PolarHBondContact O-N 2.98Å; W1087-T1090 PolarHBondContact O-N 3Å; W1087-T1090 PolarHBondContact O-OG1 3.13Å; W1087-R1091 HydrophobicContact CD2-CB 4.3Å; W1087-R1091 HydrophobicContact CG-CG 4.42Å; W1087-R1091 HydrophobicContact CZ2-CB 4.33Å; W1087-R1091 VanDerWaalsContact O-CB 3.28Å; W1087-R1091 WeakPolarHBondContact O-CB 3.49Å; W1087-R1091 PolarHBondContact O-N 2.98Å |
| 1088 | L | 40.8 | Very low | 43.6 | Very low | 17 Ų | 17 | 79.3 Ų | 79.3 | 9% | 0.089 | 42% | 0.422 | C | S | . | . | I | π-helix | trans | -61 | -46.7 | 177.2 | -71.7 | 167.6 | 0 | 0 | 0 | 111.2 | P1072 L1073 A1076 L1084 T1085 T1090 L1092 L1093 | P1072-L1088 HydrophobicContact CB-CD1 4.26Å; P1072-L1088 HydrophobicContact CB-CD2 4.37Å; P1072-L1088 VanDerWaalsContact O-CD1 3.3Å; P1072-L1088 WeakPolarHBondContact O-CD1 3.47Å; L1073-L1088 HydrophobicContact CD1-CB 4.24Å; A1076-L1088 HydrophobicContact CB-CD1 3.88Å; L1084-L1088 HydrophobicContact CD1-CD1 4.37Å; L1084-L1088 HydrophobicContact CD1-CG 4.35Å; L1084-L1088 HydrophobicContact CG-CD1 4.09Å; L1084-L1088 WeakPolarHBondContact O-CB 3.2Å; L1084-L1088 WeakPolarHBondContact O-CG 3.4Å; L1084-L1088 PolarHBondContact O-N 3.2Å; T1085-L1088 PolarHBondContact O-N 3.02Å; L1088-T1090 PolarHBondContact O-N 3.3Å; L1088-L1092 HydrophobicContact CD2-CB 4.29Å; L1088-L1092 HydrophobicContact CD2-CD2 3.68Å; L1088-L1092 PolarHBondContact O-N 2.95Å; L1088-L1092 VanDerWaalsContact O-N 3.12Å; L1088-L1093 WeakPolarHBondContact O-CB 3.41Å; L1088-L1093 PolarHBondContact O-N 3.26Å |
| 1089 | Q | 49 | Very low | 43.6 | Very low | 63 Ų | 63 | 78.6 Ų | 78.6 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | I | π-helix | trans | -64.5 | -35.8 | 177.5 | -72.5 | 177.6 | -20.5 | 0 | 0 | 113.5 | L1073 T1085 P1094 | L1073-Q1089 HydrophobicContact CD1-CG 3.88Å; T1085-Q1089 HydrophobicContact CG2-CG 4.37Å; T1085-Q1089 WeakPolarHBondContact O-CB 3.44Å; T1085-Q1089 VanDerWaalsContact O-CG 3.29Å; T1085-Q1089 WeakPolarHBondContact O-CG 3.14Å; T1085-Q1089 PolarHBondContact O-N 3.22Å; Q1089-P1094 VanDerWaalsContact O-CD 3.31Å; Q1089-P1094 WeakPolarHBondContact O-CD 3.42Å; Q1089-P1094 WeakPolarHBondContact O-CG 3.07Å |
| 1090 | T | 44.4 | Very low | 43.8 | Very low | 58 Ų | 58 | 73.4 Ų | 73.4 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | I | π-helix | trans | -94.7 | -19.8 | -176.2 | 58.1 | 0 | 0 | 0 | 0 | 114.9 | H1086 W1087 L1088 | H1086-T1090 VanDerWaalsContact O-CB 3.32Å; H1086-T1090 WeakPolarHBondContact O-CB 3.19Å; H1086-T1090 VanDerWaalsContact O-CG2 3.28Å; H1086-T1090 WeakPolarHBondContact O-CG2 3.3Å; H1086-T1090 PolarHBondContact O-N 3.43Å; H1086-T1090 PolarHBondContact O-OG1 3.34Å; W1087-T1090 PolarHBondContact O-N 3Å; W1087-T1090 PolarHBondContact O-OG1 3.13Å; L1088-T1090 PolarHBondContact O-N 3.3Å |
| 1091 | R | 42.1 | Very low | 44.2 | Very low | 115 Ų | 115 | 68.8 Ų | 68.8 | 43% | 0.434 | 37% | 0.37 | S | S | . | . | I | π-helix | trans | -118.2 | -46.9 | -175.8 | -63.6 | -67.3 | -176.9 | 156 | -4.4 | 114.3 | W1087 I1095 | W1087-R1091 HydrophobicContact CD2-CB 4.3Å; W1087-R1091 HydrophobicContact CG-CG 4.42Å; W1087-R1091 HydrophobicContact CZ2-CB 4.33Å; W1087-R1091 VanDerWaalsContact O-CB 3.28Å; W1087-R1091 WeakPolarHBondContact O-CB 3.49Å; W1087-R1091 PolarHBondContact O-N 2.98Å; R1091-I1095 VanDerWaalsContact O-CD1 3.23Å; R1091-I1095 WeakPolarHBondContact O-CD1 3.39Å; R1091-I1095 WeakPolarHBondContact O-CG1 3.35Å |
| 1092 | L | 42.2 | Very low | 44.5 | Very low | 55 Ų | 55 | 74.5 Ų | 74.5 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | I | π-helix | trans | -85 | -51.1 | -175.8 | -174.7 | 66.3 | 0 | 0 | 0 | 111.4 | L1088 I1095 L1096 | L1088-L1092 HydrophobicContact CD2-CB 4.29Å; L1088-L1092 HydrophobicContact CD2-CD2 3.68Å; L1088-L1092 PolarHBondContact O-N 2.95Å; L1088-L1092 VanDerWaalsContact O-N 3.12Å; L1092-I1095 PolarHBondContact O-N 3.1Å; L1092-L1096 HydrophobicContact CD1-CD1 4.1Å; L1092-L1096 HydrophobicContact CG-CD1 4.06Å; L1092-L1096 PolarHBondContact O-N 3.1Å |
| 1093 | L | 49 | Very low | 44.6 | Very low | 41 Ų | 41 | 69.8 Ų | 69.8 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.6 | -39.1 | -176.4 | -159.8 | 135.9 | 0 | 0 | 0 | 113.3 | M1069 L1073 L1088 I1095 L1096 K1097 | M1069-L1093 HydrophobicContact CE-CB 3.97Å; M1069-L1093 HydrophobicContact CE-CD1 3.84Å; M1069-L1093 HydrophobicContact CE-CG 3.88Å; M1069-L1093 HydrophobicContact SD-CG 4.24Å; L1073-L1093 HydrophobicContact CD2-CD1 4.1Å; L1088-L1093 WeakPolarHBondContact O-CB 3.41Å; L1088-L1093 PolarHBondContact O-N 3.26Å; L1093-I1095 VanDerWaalsContact C-N 3.27Å; L1093-I1095 PolarHBondContact O-N 3.29Å; L1093-L1096 PolarHBondContact O-N 3.28Å; L1093-K1097 HydrophobicContact CD2-CD 3.9Å; L1093-K1097 WeakPolarHBondContact O-CB 3.41Å; L1093-K1097 PolarHBondContact O-N 3.23Å |
| 1094 | P | 45.5 | Very low | 45 | Very low | 66 Ų | 66 | 68.5 Ų | 68.5 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.9 | -13 | 176.6 | -19.8 | 35.9 | 0 | 0 | 0 | 114.8 | Q1089 P1098 | Q1089-P1094 VanDerWaalsContact O-CD 3.31Å; Q1089-P1094 WeakPolarHBondContact O-CD 3.42Å; Q1089-P1094 WeakPolarHBondContact O-CG 3.07Å; P1094-P1098 WeakPolarHBondContact O-CD 3.49Å; P1094-P1098 VanDerWaalsContact O-CG 3.25Å; P1094-P1098 WeakPolarHBondContact O-CG 3.45Å |
| 1095 | I | 42.3 | Very low | 45.4 | Very low | 68 Ų | 68 | 68 Ų | 68 | 35% | 0.349 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -85.2 | -40.7 | 174.6 | -64.1 | 173.5 | 0 | 0 | 0 | 110.5 | R1091 L1092 L1093 I1099 Y1377 | R1091-I1095 VanDerWaalsContact O-CD1 3.23Å; R1091-I1095 WeakPolarHBondContact O-CD1 3.39Å; R1091-I1095 WeakPolarHBondContact O-CG1 3.35Å; L1092-I1095 PolarHBondContact O-N 3.1Å; L1093-I1095 VanDerWaalsContact C-N 3.27Å; L1093-I1095 PolarHBondContact O-N 3.29Å; I1095-I1099 WeakPolarHBondContact O-CD1 2.96Å; I1095-Y1377 HydrophobicContact CD1-CE2 3.93Å |
| 1096 | L | 42.3 | Very low | 45.7 | Very low | 31 Ų | 31 | 69.7 Ų | 69.7 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -84 | -38 | -176.4 | -64.8 | 174.3 | 0 | 0 | 0 | 112.8 | L1065 M1069 L1092 L1093 I1099 I1100 | L1065-L1096 HydrophobicContact CD1-CD2 4.41Å; M1069-L1096 HydrophobicContact CE-CD1 4.07Å; M1069-L1096 HydrophobicContact CG-CB 4.18Å; M1069-L1096 HydrophobicContact CG-CD1 3.76Å; M1069-L1096 HydrophobicContact SD-CB 3.58Å; M1069-L1096 VanDerWaalsContact SD-CB 3.58Å; M1069-L1096 HydrophobicContact SD-CD1 3.78Å; M1069-L1096 HydrophobicContact SD-CG 4.32Å; L1092-L1096 HydrophobicContact CD1-CD1 4.1Å; L1092-L1096 HydrophobicContact CG-CD1 4.06Å; L1092-L1096 PolarHBondContact O-N 3.1Å; L1093-L1096 PolarHBondContact O-N 3.28Å; L1096-I1099 WeakPolarHBondContact O-CB 3.36Å; L1096-I1099 PolarHBondContact O-N 2.9Å; L1096-I1100 HydrophobicContact CB-CD1 4.42Å; L1096-I1100 PolarHBondContact O-N 3.41Å |
| 1097 | K | 49 | Very low | 45.8 | Very low | 131 Ų | 131 | 65.6 Ų | 65.6 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.1 | -36.8 | -178.2 | -161.9 | 173.5 | -165.1 | 172.5 | 0 | 114.3 | L1093 G1101 | L1093-K1097 HydrophobicContact CD2-CD 3.9Å; L1093-K1097 WeakPolarHBondContact O-CB 3.41Å; L1093-K1097 PolarHBondContact O-N 3.23Å; K1097-G1101 WeakPolarHBondContact O-CA 3.44Å; K1097-G1101 PolarHBondContact O-N 2.89Å |
| 1098 | P | 44.5 | Very low | 46 | Very low | 71 Ų | 71 | 64.6 Ų | 64.6 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -72.2 | -24.1 | 172.9 | -19.9 | 33.9 | 0 | 0 | 0 | 114.8 | P1094 R1102 | P1094-P1098 WeakPolarHBondContact O-CD 3.49Å; P1094-P1098 VanDerWaalsContact O-CG 3.25Å; P1094-P1098 WeakPolarHBondContact O-CG 3.45Å; P1098-R1102 PolarHBondContact O-N 3.42Å |
| 1099 | I | 42.2 | Very low | 46.5 | Very low | 68 Ų | 68 | 69.8 Ų | 69.8 | 35% | 0.349 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74 | -56.3 | 176.6 | -60.1 | 172.7 | 0 | 0 | 0 | 108.1 | I1095 L1096 G1101 R1102 Q1103 | I1095-I1099 WeakPolarHBondContact O-CD1 2.96Å; L1096-I1099 WeakPolarHBondContact O-CB 3.36Å; L1096-I1099 PolarHBondContact O-N 2.9Å; I1099-G1101 VanDerWaalsContact C-N 3.29Å; I1099-G1101 PolarHBondContact O-N 3.34Å; I1099-R1102 PolarHBondContact O-N 3.09Å; I1099-Q1103 PolarHBondContact O-N 2.87Å |
| 1100 | I | 45.7 | Very low | 46.6 | Very low | 45 Ų | 45 | 67.1 Ų | 67.1 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.7 | -44.1 | 174.8 | -61.3 | 163.8 | 0 | 0 | 0 | 110.7 | L1065 M1069 L1096 R1102 Q1103 T1104 | L1065-I1100 HydrophobicContact CD2-CD1 4.34Å; L1065-I1100 HydrophobicContact CD2-CG1 3.75Å; L1065-I1100 HydrophobicContact CG-CD1 4.41Å; L1065-I1100 HydrophobicContact CG-CG1 4.34Å; M1069-I1100 HydrophobicContact CG-CD1 4.07Å; M1069-I1100 HydrophobicContact SD-CD1 4.41Å; L1096-I1100 HydrophobicContact CB-CD1 4.42Å; L1096-I1100 PolarHBondContact O-N 3.41Å; I1100-R1102 VanDerWaalsContact C-N 3.29Å; I1100-R1102 PolarHBondContact O-N 2.95Å; I1100-Q1103 PolarHBondContact O-N 3.48Å; I1100-T1104 HydrophobicContact CG2-CG2 4.18Å; I1100-T1104 WeakPolarHBondContact O-CB 3.32Å; I1100-T1104 WeakPolarHBondContact O-CG2 3.31Å; I1100-T1104 PolarHBondContact O-N 3.5Å; I1100-T1104 PolarHBondContact O-OG1 3.37Å |
| 1101 | G | 46 | Very low | 47.1 | Very low | 40 Ų | 40 | 70.2 Ų | 70.2 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.1 | -27.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1097 I1099 T1104 | K1097-G1101 WeakPolarHBondContact O-CA 3.44Å; K1097-G1101 PolarHBondContact O-N 2.89Å; I1099-G1101 VanDerWaalsContact C-N 3.29Å; I1099-G1101 PolarHBondContact O-N 3.34Å; G1101-T1104 WeakPolarHBondContact CA-OG1 3.4Å; G1101-T1104 PolarHBondContact O-OG1 2.9Å |
| 1102 | R | 46.4 | Very low | 47.9 | Very low | 152 Ų | 152 | 68.5 Ų | 68.5 | 57% | 0.574 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -77.8 | -49.2 | 170.2 | -100.7 | -164.1 | 176.8 | 97.1 | -2.8 | 111.8 | P1098 I1099 I1100 T1104 S1105 F1106 | P1098-R1102 PolarHBondContact O-N 3.42Å; I1099-R1102 PolarHBondContact O-N 3.09Å; I1100-R1102 VanDerWaalsContact C-N 3.29Å; I1100-R1102 PolarHBondContact O-N 2.95Å; R1102-T1104 PolarHBondContact O-N 3.06Å; R1102-S1105 PolarHBondContact O-N 2.81Å; R1102-S1105 VanDerWaalsContact O-N 3.11Å; R1102-S1105 PolarHBondContact O-OG 2.94Å; R1102-F1106 PolarHBondContact O-N 3.32Å; R1102-F1106 VanDerWaalsContact O-N 3.08Å |
| 1103 | Q | 47.4 | Very low | 48.2 | Very low | 10 Ų | 10 | 68.2 Ų | 68.2 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.3 | -51.9 | -179.6 | -68.2 | -176 | -102.1 | 0 | 0 | 110.8 | I1099 I1100 S1105 F1106 L1107 Y1237 | I1099-Q1103 PolarHBondContact O-N 2.87Å; I1100-Q1103 PolarHBondContact O-N 3.48Å; Q1103-S1105 VanDerWaalsContact C-N 3.27Å; Q1103-S1105 PolarHBondContact O-N 2.83Å; Q1103-F1106 PolarHBondContact O-N 3.39Å; Q1103-L1107 VanDerWaalsContact O-CB 3.27Å; Q1103-L1107 WeakPolarHBondContact O-CB 3.15Å; Q1103-L1107 PolarHBondContact O-N 2.69Å; Q1103-Y1237 WeakPolarHBondContact CG-OH 3.38Å; Q1103-Y1237 PolarHBondContact NE2-OH 2.89Å |
| 1104 | T | 48.7 | Very low | 48.4 | Very low | 71 Ų | 71 | 67.4 Ų | 67.4 | 44% | 0.436 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.8 | -36.5 | 175.9 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | I1100 G1101 R1102 H1108 | I1100-T1104 HydrophobicContact CG2-CG2 4.18Å; I1100-T1104 WeakPolarHBondContact O-CB 3.32Å; I1100-T1104 WeakPolarHBondContact O-CG2 3.31Å; I1100-T1104 PolarHBondContact O-N 3.5Å; I1100-T1104 PolarHBondContact O-OG1 3.37Å; G1101-T1104 WeakPolarHBondContact CA-OG1 3.4Å; G1101-T1104 PolarHBondContact O-OG1 2.9Å; R1102-T1104 PolarHBondContact O-N 3.06Å; T1104-H1108 VanDerWaalsContact O-CB 3.25Å; T1104-H1108 WeakPolarHBondContact O-CB 3.42Å; T1104-H1108 PolarHBondContact O-N 3.48Å |
| 1105 | S | 48.5 | Very low | 49.1 | Very low | 64 Ų | 64 | 67.4 Ų | 67.4 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 175.9 | 76.1 | 0 | 0 | 0 | 0 | 113.2 | R1102 Q1103 Q1109 | R1102-S1105 PolarHBondContact O-N 2.81Å; R1102-S1105 VanDerWaalsContact O-N 3.11Å; R1102-S1105 PolarHBondContact O-OG 2.94Å; Q1103-S1105 VanDerWaalsContact C-N 3.27Å; Q1103-S1105 PolarHBondContact O-N 2.83Å; S1105-Q1109 PolarHBondContact O-N 2.87Å |
| 1106 | F | 47.7 | Very low | 49.7 | Very low | 50 Ų | 50 | 66.6 Ų | 66.6 | 22% | 0.219 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.8 | -46.9 | 175.8 | 177.6 | -108.1 | 0 | 0 | 0 | 111.2 | R1102 Q1103 H1108 Q1109 L1110 Y1237 | R1102-F1106 PolarHBondContact O-N 3.32Å; R1102-F1106 VanDerWaalsContact O-N 3.08Å; Q1103-F1106 PolarHBondContact O-N 3.39Å; F1106-H1108 PolarHBondContact O-N 3.49Å; F1106-Q1109 CarbonylContact O-C 3.55Å; F1106-Q1109 WeakPolarHBondContact O-CA 3.46Å; F1106-Q1109 WeakPolarHBondContact O-CB 3.49Å; F1106-Q1109 PolarHBondContact O-N 3.22Å; F1106-L1110 HydrophobicContact CD1-CD1 4.45Å; F1106-L1110 HydrophobicContact CE1-CD1 3.76Å; F1106-L1110 HydrophobicContact CZ-CD1 4.04Å; F1106-L1110 WeakPolarHBondContact O-CB 3.5Å; F1106-L1110 PolarHBondContact O-N 2.98Å; F1106-Y1237 HydrophobicContact CD1-CE1 4.22Å; F1106-Y1237 AromaticContact CE1-CD1 3.99Å; F1106-Y1237 HydrophobicContact CE1-CD1 3.99Å; F1106-Y1237 HydrophobicContact CE1-CE1 4.12Å; F1106-Y1237 HydrophobicContact CE1-CG 4.32Å |
| 1107 | L | 48.4 | Very low | 50.2 | Low | 20 Ų | 20 | 66.2 Ų | 66.2 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.3 | -36.8 | 174.5 | -158.8 | 176.5 | 0 | 0 | 0 | 111.2 | L1055 E1058 Q1103 L1110 K1111 | L1055-L1107 HydrophobicContact CD2-CD2 3.82Å; L1055-L1107 HydrophobicContact CD2-CG 4.07Å; E1058-L1107 VanDerWaalsContact CD-CD1 3.44Å; E1058-L1107 HydrophobicContact CG-CD1 3.83Å; E1058-L1107 HydrophobicContact CG-CG 4.45Å; E1058-L1107 WeakPolarHBondContact OE2-CG 3.37Å; Q1103-L1107 VanDerWaalsContact O-CB 3.27Å; Q1103-L1107 WeakPolarHBondContact O-CB 3.15Å; Q1103-L1107 PolarHBondContact O-N 2.69Å; L1107-L1110 PolarHBondContact O-N 3.44Å; L1107-K1111 HydrophobicContact CD2-CD 3.51Å; L1107-K1111 HydrophobicContact CD2-CG 3.94Å; L1107-K1111 WeakPolarHBondContact O-CB 3.41Å; L1107-K1111 WeakPolarHBondContact O-CG 3.45Å; L1107-K1111 PolarHBondContact O-N 3.16Å |
| 1108 | H | 54.2 | Low | 50.7 | Low | 121 Ų | 121 | 66.2 Ų | 66.2 | 56% | 0.56 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.2 | -43.7 | 172 | -173.2 | -101.9 | 0 | 0 | 0 | 112.4 | T1104 F1106 L1110 K1111 I1112 | T1104-H1108 VanDerWaalsContact O-CB 3.25Å; T1104-H1108 WeakPolarHBondContact O-CB 3.42Å; T1104-H1108 PolarHBondContact O-N 3.48Å; F1106-H1108 PolarHBondContact O-N 3.49Å; H1108-L1110 VanDerWaalsContact C-N 3.35Å; H1108-K1111 PolarHBondContact O-N 3.27Å; H1108-I1112 WeakPolarHBondContact O-CG1 3.49Å; H1108-I1112 PolarHBondContact O-N 3.07Å |
| 1109 | Q | 50.6 | Low | 51.4 | Low | 126 Ų | 126 | 68.4 Ų | 68.4 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | 172.5 | -70.5 | -176.8 | -52.5 | 0 | 0 | 112.1 | S1105 F1106 I1112 T1113 | S1105-Q1109 PolarHBondContact O-N 2.87Å; F1106-Q1109 CarbonylContact O-C 3.55Å; F1106-Q1109 WeakPolarHBondContact O-CA 3.46Å; F1106-Q1109 WeakPolarHBondContact O-CB 3.49Å; F1106-Q1109 PolarHBondContact O-N 3.22Å; Q1109-I1112 WeakPolarHBondContact O-CB 3.28Å; Q1109-I1112 PolarHBondContact O-N 3.23Å; Q1109-T1113 PolarHBondContact O-N 2.85Å; Q1109-T1113 PolarHBondContact O-OG1 2.8Å |
| 1110 | L | 50.6 | Low | 51.8 | Low | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69 | -39.9 | 179.9 | -148.8 | 164.4 | 0 | 0 | 0 | 111.2 | F1051 L1055 F1106 L1107 H1108 I1112 T1113 V1114 | F1051-L1110 HydrophobicContact CD1-CD2 4.05Å; L1055-L1110 HydrophobicContact CD1-CD2 4.08Å; L1055-L1110 HydrophobicContact CD2-CD2 4.19Å; L1055-L1110 HydrophobicContact CG-CD2 4.09Å; F1106-L1110 HydrophobicContact CD1-CD1 4.45Å; F1106-L1110 HydrophobicContact CE1-CD1 3.76Å; F1106-L1110 HydrophobicContact CZ-CD1 4.04Å; F1106-L1110 WeakPolarHBondContact O-CB 3.5Å; F1106-L1110 PolarHBondContact O-N 2.98Å; L1107-L1110 PolarHBondContact O-N 3.44Å; H1108-L1110 VanDerWaalsContact C-N 3.35Å; L1110-I1112 VanDerWaalsContact C-N 3.35Å; L1110-I1112 PolarHBondContact O-N 3.38Å; L1110-T1113 WeakPolarHBondContact CA-OG1 3.45Å; L1110-T1113 PolarHBondContact O-N 2.8Å; L1110-T1113 PolarHBondContact O-OG1 2.79Å; L1110-T1113 VanDerWaalsContact O-OG1 3.08Å; L1110-V1114 HydrophobicContact CD2-CG2 3.76Å; L1110-V1114 VanDerWaalsContact O-CB 3.31Å; L1110-V1114 WeakPolarHBondContact O-CB 3.46Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.42Å; L1110-V1114 PolarHBondContact O-N 3.43Å |
| 1111 | K | 56.4 | Low | 52.3 | Low | 123 Ų | 123 | 67.6 Ų | 67.6 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 168.9 | -82.4 | 174.4 | 174.4 | 166.5 | 0 | 112.2 | L1055 L1107 H1108 S1115 | L1055-K1111 HydrophobicContact CD1-CG 4.5Å; L1055-K1111 HydrophobicContact CD2-CG 4.36Å; L1107-K1111 HydrophobicContact CD2-CD 3.51Å; L1107-K1111 HydrophobicContact CD2-CG 3.94Å; L1107-K1111 WeakPolarHBondContact O-CB 3.41Å; L1107-K1111 WeakPolarHBondContact O-CG 3.45Å; L1107-K1111 PolarHBondContact O-N 3.16Å; H1108-K1111 PolarHBondContact O-N 3.27Å; K1111-S1115 VanDerWaalsContact O-CB 3.28Å; K1111-S1115 WeakPolarHBondContact O-CB 3.44Å; K1111-S1115 PolarHBondContact O-N 3.17Å; K1111-S1115 PolarHBondContact O-OG 3.05Å |
| 1112 | I | 58.6 | Low | 53 | Low | 79 Ų | 79 | 69.1 Ų | 69.1 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -52 | 174.1 | -72.4 | 166.9 | 0 | 0 | 0 | 110.4 | H1108 Q1109 L1110 V1114 S1115 T1116 | H1108-I1112 WeakPolarHBondContact O-CG1 3.49Å; H1108-I1112 PolarHBondContact O-N 3.07Å; Q1109-I1112 WeakPolarHBondContact O-CB 3.28Å; Q1109-I1112 PolarHBondContact O-N 3.23Å; L1110-I1112 VanDerWaalsContact C-N 3.35Å; L1110-I1112 PolarHBondContact O-N 3.38Å; I1112-V1114 PolarHBondContact O-N 3Å; I1112-S1115 WeakPolarHBondContact O-CB 3.33Å; I1112-S1115 PolarHBondContact O-N 3.29Å; I1112-S1115 VanDerWaalsContact O-N 3.09Å; I1112-S1115 PolarHBondContact O-OG 2.94Å; I1112-T1116 HydrophobicContact CG2-CG2 4.46Å; I1112-T1116 PolarHBondContact O-N 3.15Å; I1112-T1116 PolarHBondContact O-OG1 3.46Å |
| 1113 | T | 49 | Very low | 53.2 | Low | 50 Ų | 50 | 65.3 Ų | 65.3 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65 | -40 | -178.2 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | Q1109 L1110 S1115 T1116 L1117 | Q1109-T1113 PolarHBondContact O-N 2.85Å; Q1109-T1113 PolarHBondContact O-OG1 2.8Å; L1110-T1113 WeakPolarHBondContact CA-OG1 3.45Å; L1110-T1113 PolarHBondContact O-N 2.8Å; L1110-T1113 PolarHBondContact O-OG1 2.79Å; L1110-T1113 VanDerWaalsContact O-OG1 3.08Å; T1113-S1115 VanDerWaalsContact C-N 3.29Å; T1113-S1115 PolarHBondContact O-N 2.6Å; T1113-T1116 WeakPolarHBondContact CA-OG1 3.39Å; T1113-T1116 PolarHBondContact O-N 2.92Å; T1113-T1116 PolarHBondContact O-OG1 2.89Å; T1113-T1116 VanDerWaalsContact O-OG1 3.06Å; T1113-L1117 WeakPolarHBondContact O-CB 3.02Å; T1113-L1117 PolarHBondContact O-N 3.11Å |
| 1114 | V | 53 | Low | 53.2 | Low | 23 Ų | 23 | 68.5 Ų | 68.5 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 172 | 167 | 0 | 0 | 0 | 0 | 111.2 | L1048 F1051 L1055 L1110 I1112 K1118 | L1048-V1114 HydrophobicContact CD1-CG1 3.95Å; F1051-V1114 HydrophobicContact CB-CG2 3.81Å; F1051-V1114 HydrophobicContact CG-CG2 4.16Å; L1055-V1114 HydrophobicContact CD1-CG2 4.4Å; L1110-V1114 HydrophobicContact CD2-CG2 3.76Å; L1110-V1114 VanDerWaalsContact O-CB 3.31Å; L1110-V1114 WeakPolarHBondContact O-CB 3.46Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.42Å; L1110-V1114 PolarHBondContact O-N 3.43Å; I1112-V1114 PolarHBondContact O-N 3Å; V1114-K1118 WeakPolarHBondContact O-CB 3.18Å; V1114-K1118 PolarHBondContact O-N 3.08Å |
| 1115 | S | 59.2 | Low | 53 | Low | 66 Ų | 66 | 70.7 Ų | 70.7 | 46% | 0.462 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 176.1 | 81.7 | 0 | 0 | 0 | 0 | 112.8 | K1111 I1112 T1113 R1119 | K1111-S1115 VanDerWaalsContact O-CB 3.28Å; K1111-S1115 WeakPolarHBondContact O-CB 3.44Å; K1111-S1115 PolarHBondContact O-N 3.17Å; K1111-S1115 PolarHBondContact O-OG 3.05Å; I1112-S1115 WeakPolarHBondContact O-CB 3.33Å; I1112-S1115 PolarHBondContact O-N 3.29Å; I1112-S1115 VanDerWaalsContact O-N 3.09Å; I1112-S1115 PolarHBondContact O-OG 2.94Å; T1113-S1115 VanDerWaalsContact C-N 3.29Å; T1113-S1115 PolarHBondContact O-N 2.6Å; S1115-R1119 WeakPolarHBondContact O-CB 3.49Å; S1115-R1119 PolarHBondContact O-N 2.84Å |
| 1116 | T | 56.2 | Low | 52.9 | Low | 52 Ų | 52 | 73 Ų | 73 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.8 | -39.1 | 178 | 58 | 0 | 0 | 0 | 0 | 111.3 | I1112 T1113 R1119 L1120 | I1112-T1116 HydrophobicContact CG2-CG2 4.46Å; I1112-T1116 PolarHBondContact O-N 3.15Å; I1112-T1116 PolarHBondContact O-OG1 3.46Å; T1113-T1116 WeakPolarHBondContact CA-OG1 3.39Å; T1113-T1116 PolarHBondContact O-N 2.92Å; T1113-T1116 PolarHBondContact O-OG1 2.89Å; T1113-T1116 VanDerWaalsContact O-OG1 3.06Å; T1116-R1119 CarbonylContact O-C 3.49Å; T1116-R1119 PolarHBondContact O-N 3.39Å; T1116-L1120 WeakPolarHBondContact O-CB 3.34Å; T1116-L1120 WeakPolarHBondContact O-CG 3.48Å; T1116-L1120 PolarHBondContact O-N 2.94Å |
| 1117 | L | 51.7 | Low | 52.5 | Low | 23 Ų | 23 | 73 Ų | 73 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 175.6 | -160.6 | 155.1 | 0 | 0 | 0 | 111.1 | L1048 T1113 R1119 L1120 L1121 L1227 | L1048-L1117 HydrophobicContact CD1-CD2 4.49Å; T1113-L1117 WeakPolarHBondContact O-CB 3.02Å; T1113-L1117 PolarHBondContact O-N 3.11Å; L1117-R1119 PolarHBondContact O-N 2.69Å; L1117-L1120 PolarHBondContact O-N 3.12Å; L1117-L1121 WeakPolarHBondContact O-CB 3.48Å; L1117-L1121 PolarHBondContact O-N 3.02Å; L1117-L1227 HydrophobicContact CD1-CD1 4.16Å |
| 1118 | K | 60.7 | Low | 52 | Low | 131 Ų | 131 | 73.9 Ų | 73.9 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 170.7 | -172.8 | 177.8 | -179.1 | -177.8 | 0 | 112.1 | V1114 L1121 T1122 | V1114-K1118 WeakPolarHBondContact O-CB 3.18Å; V1114-K1118 PolarHBondContact O-N 3.08Å; K1118-L1121 PolarHBondContact O-N 3.31Å; K1118-T1122 PolarHBondContact O-N 3.15Å; K1118-T1122 PolarHBondContact O-OG1 3.04Å |
| 1119 | R | 59 | Low | 51.1 | Low | 117 Ų | 117 | 76 Ų | 76 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.4 | -33.8 | 176.1 | -168.1 | 179.8 | 69.1 | 172 | -0.8 | 112.8 | S1115 T1116 L1117 T1122 K1123 | S1115-R1119 WeakPolarHBondContact O-CB 3.49Å; S1115-R1119 PolarHBondContact O-N 2.84Å; T1116-R1119 CarbonylContact O-C 3.49Å; T1116-R1119 PolarHBondContact O-N 3.39Å; L1117-R1119 PolarHBondContact O-N 2.69Å; R1119-T1122 WeakPolarHBondContact CA-OG1 3.42Å; R1119-T1122 PolarHBondContact O-OG1 3.25Å; R1119-T1122 VanDerWaalsContact O-OG1 3.1Å; R1119-K1123 WeakPolarHBondContact O-CB 3.45Å; R1119-K1123 PolarHBondContact O-N 3.01Å |
| 1120 | L | 49.3 | Very low | 50.3 | Low | 75 Ų | 75 | 77.3 Ų | 77.3 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 170.3 | -79.2 | 164.4 | 0 | 0 | 0 | 110.4 | T1116 L1117 T1122 K1123 V1124 | T1116-L1120 WeakPolarHBondContact O-CB 3.34Å; T1116-L1120 WeakPolarHBondContact O-CG 3.48Å; T1116-L1120 PolarHBondContact O-N 2.94Å; L1117-L1120 PolarHBondContact O-N 3.12Å; L1120-T1122 VanDerWaalsContact C-N 3.33Å; L1120-T1122 PolarHBondContact O-N 2.92Å; L1120-K1123 CarbonylContact O-C 3.55Å; L1120-K1123 PolarHBondContact O-N 3.29Å; L1120-V1124 WeakPolarHBondContact O-CB 3.31Å; L1120-V1124 WeakPolarHBondContact O-CG2 3.32Å; L1120-V1124 PolarHBondContact O-N 3.41Å |
| 1121 | L | 57.8 | Low | 49.2 | Very low | 21 Ų | 21 | 82.9 Ų | 82.9 | 11% | 0.11 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 178.3 | -163.2 | 73.6 | 0 | 0 | 0 | 112.2 | L1041 L1048 L1117 K1118 K1125 | L1041-L1121 HydrophobicContact CD2-CD1 3.52Å; L1048-L1121 HydrophobicContact CD2-CD2 4.06Å; L1117-L1121 WeakPolarHBondContact O-CB 3.48Å; L1117-L1121 PolarHBondContact O-N 3.02Å; K1118-L1121 PolarHBondContact O-N 3.31Å; L1121-K1125 WeakPolarHBondContact O-CB 3.3Å; L1121-K1125 WeakPolarHBondContact O-CG 3.38Å; L1121-K1125 PolarHBondContact O-N 2.96Å |
| 1122 | T | 60.7 | Low | 48 | Very low | 72 Ų | 72 | 84 Ų | 84 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.6 | -40 | 172.3 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | K1118 R1119 L1120 K1125 L1126 | K1118-T1122 PolarHBondContact O-N 3.15Å; K1118-T1122 PolarHBondContact O-OG1 3.04Å; R1119-T1122 WeakPolarHBondContact CA-OG1 3.42Å; R1119-T1122 PolarHBondContact O-OG1 3.25Å; R1119-T1122 VanDerWaalsContact O-OG1 3.1Å; L1120-T1122 VanDerWaalsContact C-N 3.33Å; L1120-T1122 PolarHBondContact O-N 2.92Å; T1122-K1125 PolarHBondContact O-N 3.45Å; T1122-L1126 WeakPolarHBondContact O-CB 3.48Å; T1122-L1126 WeakPolarHBondContact O-CG 3.11Å; T1122-L1126 PolarHBondContact O-N 3.4Å |
| 1123 | K | 49.2 | Very low | 46.6 | Very low | 72 Ų | 72 | 84.8 Ų | 84.8 | 31% | 0.313 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.2 | -48.5 | 170 | -87.6 | -166.7 | 173.2 | -172.3 | 0 | 110.9 | R1119 L1120 K1125 L1126 C1127 C1147 | R1119-K1123 WeakPolarHBondContact O-CB 3.45Å; R1119-K1123 PolarHBondContact O-N 3.01Å; L1120-K1123 CarbonylContact O-C 3.55Å; L1120-K1123 PolarHBondContact O-N 3.29Å; K1123-K1125 PolarHBondContact O-N 2.85Å; K1123-L1126 PolarHBondContact O-N 2.77Å; K1123-C1127 WeakPolarHBondContact O-CB 3.32Å; K1123-C1127 PolarHBondContact O-N 2.96Å; K1123-C1127 PolarHBondContact O-SG 2.77Å; K1123-C1147 PolarHBondContact NZ-O 3Å |
| 1124 | V | 47.5 | Very low | 45.5 | Very low | 77 Ų | 77 | 87.6 Ų | 87.6 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | L1041 L1120 L1126 C1127 G1128 | L1041-V1124 HydrophobicContact CD2-CG1 4.11Å; L1120-V1124 WeakPolarHBondContact O-CB 3.31Å; L1120-V1124 WeakPolarHBondContact O-CG2 3.32Å; L1120-V1124 PolarHBondContact O-N 3.41Å; V1124-L1126 VanDerWaalsContact C-N 3.35Å; V1124-L1126 PolarHBondContact O-N 3.07Å; V1124-C1127 PolarHBondContact O-N 2.88Å; V1124-G1128 PolarHBondContact O-N 2.93Å |
| 1125 | K | 45.7 | Very low | 44.2 | Very low | 116 Ų | 116 | 96.7 Ų | 96.7 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -30.5 | 175.8 | -73.2 | 179.9 | 179.1 | -175.1 | 0 | 113.2 | L1121 T1122 K1123 K1129 | L1121-K1125 WeakPolarHBondContact O-CB 3.3Å; L1121-K1125 WeakPolarHBondContact O-CG 3.38Å; L1121-K1125 PolarHBondContact O-N 2.96Å; T1122-K1125 PolarHBondContact O-N 3.45Å; K1123-K1125 PolarHBondContact O-N 2.85Å; K1125-K1129 PolarHBondContact O-N 3.33Å |
| 1126 | L | 45.9 | Very low | 42.9 | Very low | 113 Ų | 113 | 97.8 Ų | 97.8 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.2 | -42.2 | 171.3 | -80.3 | 163.4 | 0 | 0 | 0 | 112.1 | T1122 K1123 V1124 K1129 K1130 | T1122-L1126 WeakPolarHBondContact O-CB 3.48Å; T1122-L1126 WeakPolarHBondContact O-CG 3.11Å; T1122-L1126 PolarHBondContact O-N 3.4Å; K1123-L1126 PolarHBondContact O-N 2.77Å; V1124-L1126 VanDerWaalsContact C-N 3.35Å; V1124-L1126 PolarHBondContact O-N 3.07Å; L1126-K1129 PolarHBondContact O-N 2.91Å; L1126-K1130 PolarHBondContact O-N 3.36Å |
| 1127 | C | 39.4 | Very low | 41.6 | Very low | 51 Ų | 51 | 104 Ų | 104 | 35% | 0.345 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.1 | -71.4 | 0 | 0 | 0 | 0 | 110.9 | K1123 V1124 K1129 K1130 F1131 | K1123-C1127 WeakPolarHBondContact O-CB 3.32Å; K1123-C1127 PolarHBondContact O-N 2.96Å; K1123-C1127 PolarHBondContact O-SG 2.77Å; V1124-C1127 PolarHBondContact O-N 2.88Å; C1127-K1129 VanDerWaalsContact C-N 3.3Å; C1127-K1129 PolarHBondContact O-N 2.85Å; C1127-K1130 CarbonylContact O-C 3.59Å; C1127-K1130 PolarHBondContact O-N 3.38Å; C1127-F1131 WeakPolarHBondContact O-CB 3.23Å; C1127-F1131 WeakPolarHBondContact O-CD2 3.42Å; C1127-F1131 PolarHBondContact O-N 3.07Å |
| 1128 | G | 37.6 | Very low | 40.7 | Very low | 37 Ų | 37 | 109.7 Ų | 109.7 | 38% | 0.381 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.9 | -41.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1124 K1130 F1131 L1132 | V1124-G1128 PolarHBondContact O-N 2.93Å; G1128-K1130 PolarHBondContact O-N 2.74Å; G1128-F1131 PolarHBondContact O-N 2.93Å; G1128-L1132 WeakPolarHBondContact O-CG 3.21Å; G1128-L1132 PolarHBondContact O-N 3.28Å |
| 1129 | K | 35.6 | Very low | 39.2 | Very low | 166 Ų | 166 | 110.8 Ų | 110.8 | 72% | 0.722 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.1 | -28.1 | 173.4 | -75 | -167.7 | 173 | -167.1 | 0 | 114 | K1125 L1126 C1127 | K1125-K1129 PolarHBondContact O-N 3.33Å; L1126-K1129 PolarHBondContact O-N 2.91Å; C1127-K1129 VanDerWaalsContact C-N 3.3Å; C1127-K1129 PolarHBondContact O-N 2.85Å |
| 1130 | K | 33.6 | Very low | 37.8 | Very low | 154 Ų | 154 | 109.9 Ų | 109.9 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.4 | -35.7 | 172.1 | -81.3 | -165.1 | 170.2 | -168.5 | 0 | 113.3 | L1126 C1127 G1128 L1132 S1133 L1134 | L1126-K1130 PolarHBondContact O-N 3.36Å; C1127-K1130 CarbonylContact O-C 3.59Å; C1127-K1130 PolarHBondContact O-N 3.38Å; G1128-K1130 PolarHBondContact O-N 2.74Å; K1130-L1132 VanDerWaalsContact C-N 3.28Å; K1130-L1132 PolarHBondContact O-N 3.12Å; K1130-S1133 CarbonylContact O-C 3.56Å; K1130-S1133 WeakPolarHBondContact O-CA 3.41Å; K1130-S1133 WeakPolarHBondContact O-CB 3.34Å; K1130-S1133 PolarHBondContact O-N 3.28Å; K1130-L1134 WeakPolarHBondContact O-CD1 3.49Å; K1130-L1134 PolarHBondContact O-N 3.41Å |
| 1131 | F | 27.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 109.4 Ų | 109.4 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -37.6 | 176 | -101.3 | -90.4 | 0 | 0 | 0 | 111.6 | C1127 G1128 S1133 L1134 L1140 | C1127-F1131 WeakPolarHBondContact O-CB 3.23Å; C1127-F1131 WeakPolarHBondContact O-CD2 3.42Å; C1127-F1131 PolarHBondContact O-N 3.07Å; G1128-F1131 PolarHBondContact O-N 2.93Å; F1131-S1133 PolarHBondContact O-N 3.5Å; F1131-S1133 VanDerWaalsContact O-N 3.1Å; F1131-L1134 PolarHBondContact O-N 3.41Å; F1131-L1140 HydrophobicContact CZ-CD1 4.46Å |
| 1132 | L | 30.7 | Very low | 35.4 | Very low | 145 Ų | 145 | 115.9 Ų | 115.9 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -14.1 | 169.9 | -75 | 167.5 | 0 | 0 | 0 | 114.2 | G1128 K1130 | G1128-L1132 WeakPolarHBondContact O-CG 3.21Å; G1128-L1132 PolarHBondContact O-N 3.28Å; K1130-L1132 VanDerWaalsContact C-N 3.28Å; K1130-L1132 PolarHBondContact O-N 3.12Å |
| 1133 | S | 29.7 | Very low | 33.9 | Very low | 96 Ų | 96 | 115 Ų | 115 | 67% | 0.671 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | -4.4 | -178.7 | -170.8 | 0 | 0 | 0 | 0 | 114.4 | K1130 F1131 | K1130-S1133 CarbonylContact O-C 3.56Å; K1130-S1133 WeakPolarHBondContact O-CA 3.41Å; K1130-S1133 WeakPolarHBondContact O-CB 3.34Å; K1130-S1133 PolarHBondContact O-N 3.28Å; F1131-S1133 PolarHBondContact O-N 3.5Å; F1131-S1133 VanDerWaalsContact O-N 3.1Å |
| 1134 | L | 25.1 | Very low | 32.8 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | trans | -121.8 | 68.2 | 179 | -79.1 | 96.9 | 0 | 0 | 0 | 111.7 | K1130 F1131 S1136 | K1130-L1134 WeakPolarHBondContact O-CD1 3.49Å; K1130-L1134 PolarHBondContact O-N 3.41Å; F1131-L1134 PolarHBondContact O-N 3.41Å; L1134-S1136 PolarHBondContact O-N 2.59Å | ||
| 1135 | K | 27.4 | Very low | 32 | Very low | 213 Ų | 213 | 115.2 Ų | 115.2 | 93% | 0.926 | 62% | 0.615 | S | S | * | * | trans | -84.3 | 60.1 | 158.8 | -76.5 | -172.4 | 173 | -177.7 | 0 | 110.6 | ||||
| 1136 | S | 31 | Very low | 31.1 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 62% | 0.622 | 62% | 0.623 | S | S | * | * | trans | -144 | 137.7 | 173.8 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | L1134 | L1134-S1136 PolarHBondContact O-N 2.59Š| ||
| 1137 | K | 28.9 | Very low | 30.3 | Very low | 182 Ų | 182 | 114.4 Ų | 114.4 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | trans | -81.9 | 171.7 | -164.6 | -63.5 | -179.2 | 159.6 | -169.5 | 0 | 114.5 | D1139 | K1137-D1139 PolarHBondContact O-N 2.97Š| ||
| 1138 | D | 33.3 | Very low | 29.7 | Very low | 144 Ų | 144 | 117.1 Ų | 117.1 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 86.1 | -16.8 | 147.6 | -52.8 | -35.7 | 0 | 0 | 0 | 121.7 | ||
| 1139 | D | 29.2 | Very low | 29.1 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -109.6 | 31 | 175 | -80.6 | -45.7 | 0 | 0 | 0 | 115.1 | K1137 S1143 | K1137-D1139 PolarHBondContact O-N 2.97Å; D1139-S1143 PolarHBondContact O-OG 3.37Å | ||
| 1140 | L | 28.6 | Very low | 28.7 | Very low | 99 Ų | 99 | 114 Ų | 114 | 52% | 0.518 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -82.6 | -17.9 | -167.4 | -163.5 | 61.2 | 0 | 0 | 0 | 115.3 | F1131 S1143 I1144 | F1131-L1140 HydrophobicContact CZ-CD1 4.46Å; L1140-S1143 PolarHBondContact O-OG 3.13Å; L1140-I1144 HydrophobicContact CD1-CD1 3.96Å; L1140-I1144 HydrophobicContact CD1-CG1 4.28Å; L1140-I1144 HydrophobicContact CD2-CD1 4.39Å; L1140-I1144 HydrophobicContact CG-CD1 3.79Å; L1140-I1144 HydrophobicContact CG-CG1 4.46Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.19Å |
| 1141 | G | 28.3 | Very low | 28.3 | Very low | 65 Ų | 65 | 113.4 Ų | 113.4 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68 | -58.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1142 | E | 28.6 | Very low | 28.2 | Very low | 156 Ų | 156 | 111.3 Ų | 111.3 | 73% | 0.729 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.8 | -29.2 | -172.8 | -58.8 | -161.1 | 134.4 | 0 | 0 | 113.2 | I1144 S1145 Q1146 | E1142-I1144 PolarHBondContact O-N 3.01Å; E1142-S1145 WeakPolarHBondContact O-CB 3.24Å; E1142-S1145 PolarHBondContact O-N 2.97Å; E1142-Q1146 PolarHBondContact O-N 2.83Å; E1142-Q1146 VanDerWaalsContact O-N 3.08Å |
| 1143 | S | 28.7 | Very low | 27.8 | Very low | 54 Ų | 54 | 113.1 Ų | 113.1 | 38% | 0.378 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.3 | -34.2 | -178.6 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | D1139 L1140 C1147 | D1139-S1143 PolarHBondContact O-OG 3.37Å; L1140-S1143 PolarHBondContact O-OG 3.13Å; S1143-C1147 WeakPolarHBondContact O-CB 3.4Å; S1143-C1147 PolarHBondContact O-N 2.6Å; S1143-C1147 VanDerWaalsContact O-N 3.1Å; S1143-C1147 PolarHBondContact O-SG 3.48Å |
| 1144 | I | 27.3 | Very low | 27.5 | Very low | 75 Ų | 75 | 113 Ų | 113 | 39% | 0.385 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.2 | -40.1 | 173.4 | -67.9 | 178.2 | 0 | 0 | 0 | 111.2 | L1140 E1142 C1147 L1148 | L1140-I1144 HydrophobicContact CD1-CD1 3.96Å; L1140-I1144 HydrophobicContact CD1-CG1 4.28Å; L1140-I1144 HydrophobicContact CD2-CD1 4.39Å; L1140-I1144 HydrophobicContact CG-CD1 3.79Å; L1140-I1144 HydrophobicContact CG-CG1 4.46Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.19Å; E1142-I1144 PolarHBondContact O-N 3.01Å; I1144-C1147 PolarHBondContact O-N 3.2Å; I1144-L1148 HydrophobicContact CG2-CD1 4.16Å; I1144-L1148 PolarHBondContact O-N 3.15Å |
| 1145 | S | 29.5 | Very low | 27.5 | Very low | 78 Ų | 78 | 114 Ų | 114 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -59.4 | -53.3 | 176.5 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | E1142 C1147 L1148 T1149 | E1142-S1145 WeakPolarHBondContact O-CB 3.24Å; E1142-S1145 PolarHBondContact O-N 2.97Å; S1145-C1147 VanDerWaalsContact C-N 3.28Å; S1145-C1147 PolarHBondContact O-N 3.28Å; S1145-L1148 PolarHBondContact O-N 3.34Å; S1145-T1149 PolarHBondContact O-N 2.83Å |
| 1146 | Q | 28.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 111 Ų | 111 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.6 | -27.3 | 178.8 | -65.9 | -176 | 4.9 | 0 | 0 | 113.3 | E1142 L1148 T1149 | E1142-Q1146 PolarHBondContact O-N 2.83Å; E1142-Q1146 VanDerWaalsContact O-N 3.08Å; Q1146-L1148 PolarHBondContact O-N 3.38Å; Q1146-T1149 PolarHBondContact O-OG1 3.3Å |
| 1147 | C | 28.9 | Very low | 26.8 | Very low | 68 Ų | 68 | 117.5 Ų | 117.5 | 46% | 0.459 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -71.2 | -17.6 | 174 | -75.9 | 0 | 0 | 0 | 0 | 113.8 | K1123 S1143 I1144 S1145 | K1123-C1147 PolarHBondContact NZ-O 3Å; S1143-C1147 WeakPolarHBondContact O-CB 3.4Å; S1143-C1147 PolarHBondContact O-N 2.6Å; S1143-C1147 VanDerWaalsContact O-N 3.1Å; S1143-C1147 PolarHBondContact O-SG 3.48Å; I1144-C1147 PolarHBondContact O-N 3.2Å; S1145-C1147 VanDerWaalsContact C-N 3.28Å; S1145-C1147 PolarHBondContact O-N 3.28Å |
| 1148 | L | 25.3 | Very low | 26.4 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 56% | 0.56 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -113.2 | -6.8 | -173.2 | -70.5 | 175.3 | 0 | 0 | 0 | 114.8 | I1144 S1145 Q1146 V1150 | I1144-L1148 HydrophobicContact CG2-CD1 4.16Å; I1144-L1148 PolarHBondContact O-N 3.15Å; S1145-L1148 PolarHBondContact O-N 3.34Å; Q1146-L1148 PolarHBondContact O-N 3.38Å; L1148-V1150 PolarHBondContact O-N 3.03Å |
| 1149 | T | 26.8 | Very low | 25.9 | Very low | 79 Ų | 79 | 115.6 Ų | 115.6 | 49% | 0.485 | 64% | 0.636 | S | S | . | * | trans | -56.8 | 139.7 | 167.6 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | S1145 Q1146 | S1145-T1149 PolarHBondContact O-N 2.83Å; Q1146-T1149 PolarHBondContact O-OG1 3.3Å | ||
| 1150 | V | 26.9 | Very low | 25.6 | Very low | 59 Ų | 59 | 114.3 Ų | 114.3 | 36% | 0.358 | 63% | 0.63 | S | S | . | * | trans | -129.9 | 97.8 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 107.2 | L1148 C1152 | L1148-V1150 PolarHBondContact O-N 3.03Å; V1150-C1152 PolarHBondContact O-N 3.46Å | ||
| 1151 | D | 25 | Very low | 25.2 | Very low | 141 Ų | 141 | 119.8 Ų | 119.8 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | trans | -73.8 | 99.8 | 173.3 | -55.6 | -57.4 | 0 | 0 | 0 | 108.5 | E1153 | D1151-E1153 VanDerWaalsContact C-N 3.28Å; D1151-E1153 PolarHBondContact O-N 2.91Å | ||
| 1152 | C | 24.9 | Very low | 24.9 | Very low | 80 Ų | 80 | 122.3 Ų | 122.3 | 54% | 0.541 | 65% | 0.647 | S | S | . | * | trans | -86.7 | 68.5 | 174.2 | -86.7 | 0 | 0 | 0 | 0 | 110 | V1150 S1154 | V1150-C1152 PolarHBondContact O-N 3.46Å; C1152-S1154 PolarHBondContact O-N 3.3Å; C1152-S1154 VanDerWaalsContact O-N 3.11Å; C1152-S1154 PolarHBondContact O-OG 3.3Å | ||
| 1153 | E | 23 | Very low | 24.6 | Very low | 183 Ų | 183 | 120.7 Ų | 120.7 | 86% | 0.855 | 65% | 0.653 | S | S | * | * | trans | -52.6 | 120.6 | 164.7 | -69.5 | -166 | 146.4 | 0 | 0 | 108.9 | D1151 P1155 | D1151-E1153 VanDerWaalsContact C-N 3.28Å; D1151-E1153 PolarHBondContact O-N 2.91Å; E1153-P1155 WeakPolarHBondContact O-CD 3.37Å | ||
| 1154 | S | 23.6 | Very low | 24.3 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | -93.1 | 122.5 | -167.6 | -68.9 | 0 | 0 | 0 | 0 | 110 | C1152 L1156 | C1152-S1154 PolarHBondContact O-N 3.3Å; C1152-S1154 VanDerWaalsContact O-N 3.11Å; C1152-S1154 PolarHBondContact O-OG 3.3Å; S1154-L1156 PolarHBondContact O-N 3.14Å | ||
| 1155 | P | 24.1 | Very low | 24 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 84% | 0.844 | 69% | 0.691 | S | S | * | * | trans | -66.5 | 93.6 | 177.2 | -21.6 | 34.4 | 0 | 0 | 0 | 111.4 | E1153 Y1157 | E1153-P1155 WeakPolarHBondContact O-CD 3.37Å; P1155-Y1157 PolarHBondContact O-N 2.8Å | ||
| 1156 | L | 20.9 | Very low | 23.6 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -69.8 | 117.7 | 169.3 | -71.1 | 167 | 0 | 0 | 0 | 108.8 | S1154 | S1154-L1156 PolarHBondContact O-N 3.14Š| ||
| 1157 | Y | 22.8 | Very low | 23.2 | Very low | 226 Ų | 226 | 136.6 Ų | 136.6 | 89% | 0.886 | 72% | 0.716 | S | S | * | * | trans | -142.8 | 115.1 | 162.1 | -108.8 | -75.6 | 0 | 0 | 0 | 109 | P1155 M1159 | P1155-Y1157 PolarHBondContact O-N 2.8Å; Y1157-M1159 PolarHBondContact O-N 3.16Å | ||
| 1158 | D | 21.7 | Very low | 22.9 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | -70.3 | 121.6 | -171.4 | -67 | -53.8 | 0 | 0 | 0 | 112.5 | ||||
| 1159 | M | 21.3 | Very low | 22.7 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | trans | -103.3 | 75.5 | 158.9 | -85.4 | -70.2 | -169.1 | 0 | 0 | 108.6 | Y1157 Y1161 | Y1157-M1159 PolarHBondContact O-N 3.16Å; M1159-Y1161 VanDerWaalsContact C-N 3.33Å; M1159-Y1161 PolarHBondContact O-N 2.84Å | ||
| 1160 | N | 22.3 | Very low | 22.4 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | trans | -66 | 86.9 | 177.3 | -84.5 | -40.6 | 0 | 0 | 0 | 111.3 | T1162 | N1160-T1162 VanDerWaalsContact C-N 3.26Å; N1160-T1162 HydrophobicContact CB-CG2 4.45Å; N1160-T1162 PolarHBondContact O-N 3.09Å | ||
| 1161 | Y | 21.4 | Very low | 22.1 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -69.8 | 84.2 | 163 | -90.2 | -86.6 | 0 | 0 | 0 | 109.4 | M1159 S1163 | M1159-Y1161 VanDerWaalsContact C-N 3.33Å; M1159-Y1161 PolarHBondContact O-N 2.84Å; Y1161-S1163 PolarHBondContact O-N 2.55Å | ||
| 1162 | T | 22 | Very low | 21.9 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | -70.9 | 88.8 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | N1160 K1164 | N1160-T1162 VanDerWaalsContact C-N 3.26Å; N1160-T1162 HydrophobicContact CB-CG2 4.45Å; N1160-T1162 PolarHBondContact O-N 3.09Å; T1162-K1164 PolarHBondContact O-N 3.26Å | ||
| 1163 | S | 22.4 | Very low | 21.8 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -70.7 | 89.4 | 168.4 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | Y1161 | Y1161-S1163 PolarHBondContact O-N 2.55Š| ||
| 1164 | K | 21.4 | Very low | 21.7 | Very low | 205 Ų | 205 | 142.6 Ų | 142.6 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | -102.6 | 119.1 | 163 | -76.6 | -169.3 | 172.2 | -172.2 | 0 | 108.7 | T1162 | T1162-K1164 PolarHBondContact O-N 3.26Š| ||
| 1165 | G | 22 | Very low | 21.6 | Very low | 65 Ų | 65 | 142.4 Ų | 142.4 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 158.9 | 51.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1167 | G1165-F1167 PolarHBondContact O-N 2.92Š|
| 1166 | Y | 21 | Very low | 21.6 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 19.9 | 92.9 | 164.2 | -61.9 | -86.1 | 0 | 0 | 0 | 118.5 | ||||
| 1167 | F | 20.3 | Very low | 21.6 | Very low | 214 Ų | 214 | 146 Ų | 146 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | -120.4 | 120.6 | 126.5 | -94.6 | -87.8 | 0 | 0 | 0 | 106.8 | G1165 S1169 | G1165-F1167 PolarHBondContact O-N 2.92Å; F1167-S1169 PolarHBondContact O-N 2.87Å | |||
| 1168 | N | 21.1 | Very low | 21.5 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 127.4 | -176.5 | -76.3 | -4.2 | 0 | 0 | 0 | 110.9 | ||||
| 1169 | S | 21 | Very low | 21.5 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -45.3 | 157.4 | 144.8 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | F1167 | F1167-S1169 PolarHBondContact O-N 2.87Š| ||
| 1170 | S | 21.3 | Very low | 21.5 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | -166.9 | -153.4 | -15.2 | 52 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1171 | E | 20.5 | Very low | 21.4 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | cis | -159.5 | 152.5 | 10.4 | -160.9 | 47.8 | -88.8 | 0 | 0 | 111.9 | ||||
| 1172 | S | 21.7 | Very low | 21.4 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 65.1 | 173.9 | 160.5 | 92.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1173 | S | 22.3 | Very low | 21.5 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | cis | -148 | 91.8 | -14.4 | 17.3 | 0 | 0 | 0 | 0 | 109.8 | S1175 | S1173-S1175 PolarHBondContact O-N 3.17Å; S1173-S1175 VanDerWaalsContact O-N 3.07Å | ||
| 1174 | I | 20.3 | Very low | 21.6 | Very low | 176 Ų | 176 | 142 Ų | 142 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | trans | -82.2 | 85.6 | 172.6 | -57.4 | 177.6 | 0 | 0 | 0 | 108.8 | ||||
| 1175 | S | 22.3 | Very low | 21.6 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | trans | -124 | 29.2 | -171.9 | 59.1 | 0 | 0 | 0 | 0 | 115.3 | S1173 | S1173-S1175 PolarHBondContact O-N 3.17Å; S1173-S1175 VanDerWaalsContact O-N 3.07Å | ||
| 1176 | H | 22.7 | Very low | 21.6 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 36 | -177.9 | -87.8 | -63.6 | 0 | 0 | 0 | 116.6 | ||||
| 1177 | I | 21.6 | Very low | 21.6 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -131.7 | 84.9 | 160.8 | -50 | -179.5 | 0 | 0 | 0 | 110.5 | ||||
| 1178 | A | 20.2 | Very low | 21.6 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -143.3 | 156.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1179 | S | 22.5 | Very low | 21.8 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 64.5 | 80.6 | 176.2 | 68.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1180 | K | 22.2 | Very low | 22.1 | Very low | 210 Ų | 210 | 136 Ų | 136 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -154.1 | 55.7 | 145.2 | -123.5 | 172.1 | -171.8 | 175.7 | 0 | 113.9 | ||||
| 1181 | C | 19.8 | Very low | 22.2 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | trans | -139.2 | 89 | 166.5 | -84.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1182 | S | 21.7 | Very low | 22.4 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -105.7 | 100.8 | -175.2 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1183 | K | 23.4 | Very low | 22.5 | Very low | 194 Ų | 194 | 137 Ų | 137 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 53.3 | 144.9 | 147 | -65.8 | -173.9 | 177.1 | -178.2 | 0 | 120.4 | ||||
| 1184 | N | 24 | Very low | 22.6 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | 74.2 | 69 | 156.9 | -57.8 | 1.1 | 0 | 0 | 0 | 118.6 | ||||
| 1185 | E | 21 | Very low | 22.6 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | -123 | 128.5 | 129.9 | -72.5 | -168.6 | 143 | 0 | 0 | 108.5 | L1187 | E1185-L1187 PolarHBondContact O-N 3.18Š| |||
| 1186 | Q | 23 | Very low | 22.6 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -89.8 | 95.4 | 179.7 | -71.7 | 175.3 | -48.9 | 0 | 0 | 109.1 | S1188 | Q1186-S1188 PolarHBondContact O-N 2.7Š| ||
| 1187 | L | 19.9 | Very low | 22.5 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | -64.7 | 125.7 | 169.3 | -70.1 | 173.4 | 0 | 0 | 0 | 109.4 | E1185 | E1185-L1187 PolarHBondContact O-N 3.18Š| ||
| 1188 | S | 21.6 | Very low | 22.5 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 54% | 0.538 | 76% | 0.759 | S | S | . | * | trans | -68.8 | 153.9 | -173.6 | 47.9 | 0 | 0 | 0 | 0 | 111.9 | Q1186 S1190 E1191 | Q1186-S1188 PolarHBondContact O-N 2.7Å; S1188-S1190 PolarHBondContact O-N 3.01Å; S1188-E1191 PolarHBondContact O-N 2.89Å | ||
| 1189 | S | 24.2 | Very low | 22.7 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -3.8 | -170.1 | 44.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1190 | S | 27.1 | Very low | 22.7 | Very low | 84 Ų | 84 | 136 Ų | 136 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -18.7 | 176.7 | 47.1 | 0 | 0 | 0 | 0 | 115.4 | S1188 | S1188-S1190 PolarHBondContact O-N 3.01Š|
| 1191 | E | 24.7 | Very low | 22.7 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 50% | 0.495 | 76% | 0.755 | S | S | . | * | S | Bend | trans | -85 | -21 | -175.1 | -64.6 | -158.7 | 145.3 | 0 | 0 | 114.4 | S1188 S1193 S1194 | S1188-E1191 PolarHBondContact O-N 2.89Å; E1191-S1193 VanDerWaalsContact C-N 3.33Å; E1191-S1193 PolarHBondContact O-N 3.21Å; E1191-S1194 PolarHBondContact O-OG 3.02Å |
| 1192 | I | 23.6 | Very low | 22.9 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -73.7 | -21.7 | -168.4 | -64.6 | 178 | 0 | 0 | 0 | 112.9 | S1194 | I1192-S1194 VanDerWaalsContact C-N 3.31Å; I1192-S1194 PolarHBondContact O-N 3.29Å |
| 1193 | S | 25 | Very low | 23 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -80.6 | 3.2 | -176.7 | 60.8 | 0 | 0 | 0 | 0 | 115.9 | E1191 | E1191-S1193 VanDerWaalsContact C-N 3.33Å; E1191-S1193 PolarHBondContact O-N 3.21Å |
| 1194 | S | 23.1 | Very low | 23.2 | Very low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -118 | 2.5 | -176.1 | 65.4 | 0 | 0 | 0 | 0 | 115.4 | E1191 I1192 N1196 | E1191-S1194 PolarHBondContact O-OG 3.02Å; I1192-S1194 VanDerWaalsContact C-N 3.31Å; I1192-S1194 PolarHBondContact O-N 3.29Å; S1194-N1196 PolarHBondContact O-N 3.05Å |
| 1195 | C | 20.7 | Very low | 23.2 | Very low | 94 Ų | 94 | 143.4 Ų | 143.4 | 64% | 0.635 | 76% | 0.758 | S | S | * | * | trans | -80.9 | 64.8 | -172.5 | -77.1 | 0 | 0 | 0 | 0 | 114.9 | V1197 | C1195-V1197 VanDerWaalsContact C-N 3.28Å; C1195-V1197 HydrophobicContact CB-CG2 4.4Å; C1195-V1197 PolarHBondContact O-N 2.81Å | ||
| 1196 | N | 22.2 | Very low | 23.4 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | -71.3 | 77.3 | 168.4 | -89.9 | -24.3 | 0 | 0 | 0 | 111.8 | S1194 | S1194-N1196 PolarHBondContact O-N 3.05Š| ||
| 1197 | V | 21.7 | Very low | 23.6 | Very low | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -83 | 118.1 | -177.2 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | C1195 | C1195-V1197 VanDerWaalsContact C-N 3.28Å; C1195-V1197 HydrophobicContact CB-CG2 4.4Å; C1195-V1197 PolarHBondContact O-N 2.81Å | ||
| 1198 | S | 21 | Very low | 23.8 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | -64.7 | 133.6 | -178.7 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | Y1200 | S1198-Y1200 PolarHBondContact O-N 3.34Å; S1198-Y1200 VanDerWaalsContact O-N 3.14Å | ||
| 1199 | P | 24.4 | Very low | 24 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -87.3 | 82.8 | -169.4 | 34.4 | -37.3 | 0 | 0 | 0 | 114.4 | ||||
| 1200 | Y | 21.7 | Very low | 24 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | -143.9 | 73.6 | 172 | -87.4 | -71.7 | 0 | 0 | 0 | 114.3 | S1198 | S1198-Y1200 PolarHBondContact O-N 3.34Å; S1198-Y1200 VanDerWaalsContact O-N 3.14Å | ||
| 1201 | F | 22.9 | Very low | 23.8 | Very low | 197 Ų | 197 | 148 Ų | 148 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -141.1 | 108 | 164.7 | -96.8 | -74.4 | 0 | 0 | 0 | 115.5 | ||||
| 1202 | K | 23.3 | Very low | 23.9 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | 32.7 | 106.1 | 151.8 | -63.6 | -175.1 | 176.5 | -176.2 | 0 | 118.4 | K1204 | K1202-K1204 PolarHBondContact O-N 2.93Š| ||
| 1203 | H | 24.7 | Very low | 24 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 93% | 0.926 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -60.6 | 119.2 | 163 | -69.6 | -91.8 | 0 | 0 | 0 | 112.2 | ||
| 1204 | K | 27.6 | Very low | 24 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | S | Bend | -165.6 | -32.7 | 128.8 | -110.6 | 179.9 | 178.6 | -173.5 | 0 | 114.3 | K1202 | K1202-K1204 PolarHBondContact O-N 2.93Š| |
| 1205 | H | 24.7 | Very low | 24.3 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -103.3 | -6.8 | -169.5 | -72 | -84.4 | 0 | 0 | 0 | 117.8 | K1207 | H1205-K1207 PolarHBondContact O-N 2.97Š|
| 1206 | K | 25.4 | Very low | 24.6 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -89 | 10.6 | -173.5 | -86.8 | -164.1 | 172.2 | -168.6 | 0 | 117.3 | Y1208 S1209 | K1206-Y1208 PolarHBondContact O-N 3.47Å; K1206-Y1208 VanDerWaalsContact O-N 3.14Å; K1206-S1209 WeakPolarHBondContact O-CB 3.35Å; K1206-S1209 PolarHBondContact O-N 3.36Å |
| 1207 | K | 26.6 | Very low | 24.8 | Very low | 202 Ų | 202 | 148.9 Ų | 148.9 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -61.3 | -24.8 | -179.3 | -146.7 | -177.1 | -175.8 | -170.4 | 0 | 113.4 | H1205 | H1205-K1207 PolarHBondContact O-N 2.97Š|
| 1208 | Y | 23.7 | Very low | 25.2 | Very low | 194 Ų | 194 | 152 Ų | 152 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -77.8 | -19.1 | 175.9 | -66.4 | -77.6 | 0 | 0 | 0 | 115 | K1206 L1210 H1211 L1212 | K1206-Y1208 PolarHBondContact O-N 3.47Å; K1206-Y1208 VanDerWaalsContact O-N 3.14Å; Y1208-L1210 VanDerWaalsContact C-N 3.35Å; Y1208-L1210 PolarHBondContact O-N 3.33Å; Y1208-H1211 PolarHBondContact O-N 3.04Å; Y1208-L1212 PolarHBondContact O-N 3.25Å |
| 1209 | S | 26 | Very low | 26 | Very low | 60 Ų | 60 | 149.7 Ų | 149.7 | 42% | 0.42 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -65.3 | -36.1 | -169.5 | -163.8 | 0 | 0 | 0 | 0 | 113.3 | K1206 L1212 T1213 | K1206-S1209 WeakPolarHBondContact O-CB 3.35Å; K1206-S1209 PolarHBondContact O-N 3.36Å; S1209-L1212 PolarHBondContact O-N 3.07Å; S1209-T1213 PolarHBondContact O-N 3.05Å; S1209-T1213 PolarHBondContact O-OG1 3.32Å |
| 1210 | L | 24 | Very low | 26.5 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 65% | 0.654 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -76.6 | -28.8 | -173.5 | -158.9 | 149.7 | 0 | 0 | 0 | 112 | Y1208 T1213 L1214 | Y1208-L1210 VanDerWaalsContact C-N 3.35Å; Y1208-L1210 PolarHBondContact O-N 3.33Å; L1210-T1213 WeakPolarHBondContact CA-OG1 3.38Å; L1210-T1213 PolarHBondContact O-OG1 3.33Å; L1210-L1214 HydrophobicContact CD2-CD1 4.06Å; L1210-L1214 PolarHBondContact O-N 2.88Å |
| 1211 | H | 22 | Very low | 27.3 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 65% | 0.648 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -74.1 | -29.1 | 176.1 | -154.9 | -33.1 | 0 | 0 | 0 | 112.2 | Y1208 | Y1208-H1211 PolarHBondContact O-N 3.04Å |
| 1212 | L | 26.9 | Very low | 28 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.3 | -45.7 | 171.4 | -112.4 | 76.2 | 0 | 0 | 0 | 111.8 | Y1208 S1209 L1214 K1215 | Y1208-L1212 PolarHBondContact O-N 3.25Å; S1209-L1212 PolarHBondContact O-N 3.07Å; L1212-L1214 VanDerWaalsContact C-N 3.27Å; L1212-L1214 PolarHBondContact O-N 2.73Å; L1212-K1215 WeakPolarHBondContact O-CB 3.4Å; L1212-K1215 PolarHBondContact O-N 3.35Å |
| 1213 | T | 27.1 | Very low | 28.7 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 47% | 0.472 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.4 | -32.2 | -178.3 | 45.8 | 0 | 0 | 0 | 0 | 113.1 | S1209 L1210 K1215 Q1216 | S1209-T1213 PolarHBondContact O-N 3.05Å; S1209-T1213 PolarHBondContact O-OG1 3.32Å; L1210-T1213 WeakPolarHBondContact CA-OG1 3.38Å; L1210-T1213 PolarHBondContact O-OG1 3.33Å; T1213-K1215 PolarHBondContact O-N 2.9Å; T1213-Q1216 PolarHBondContact O-N 3.37Å |
| 1214 | L | 24.6 | Very low | 29.6 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -63.1 | -24.2 | 173.5 | -111.3 | 85.8 | 0 | 0 | 0 | 113.3 | L1210 L1212 Q1216 | L1210-L1214 HydrophobicContact CD2-CD1 4.06Å; L1210-L1214 PolarHBondContact O-N 2.88Å; L1212-L1214 VanDerWaalsContact C-N 3.27Å; L1212-L1214 PolarHBondContact O-N 2.73Å; L1214-Q1216 VanDerWaalsContact C-N 3.32Å |
| 1215 | K | 29.8 | Very low | 30.4 | Very low | 191 Ų | 191 | 117.6 Ų | 117.6 | 83% | 0.83 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -87.1 | 2.1 | -179.1 | -144.5 | 179.5 | -175.2 | -178.3 | 0 | 113.4 | L1212 T1213 | L1212-K1215 WeakPolarHBondContact O-CB 3.4Å; L1212-K1215 PolarHBondContact O-N 3.35Å; T1213-K1215 PolarHBondContact O-N 2.9Å |
| 1216 | Q | 27 | Very low | 31.2 | Very low | 147 Ų | 147 | 114.5 Ų | 114.5 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -125 | 27.6 | -176.8 | -64.8 | -173.9 | -44.5 | 0 | 0 | 112.7 | T1213 L1214 H1218 | T1213-Q1216 PolarHBondContact O-N 3.37Å; L1214-Q1216 VanDerWaalsContact C-N 3.32Å; Q1216-H1218 PolarHBondContact O-N 3Å |
| 1217 | L | 25.7 | Very low | 32.1 | Very low | 99 Ų | 99 | 106.6 Ų | 106.6 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | trans | -77.7 | 45.4 | -171 | -116.4 | 169.6 | 0 | 0 | 0 | 114.4 | ||||
| 1218 | H | 29.5 | Very low | 33.1 | Very low | 191 Ų | 191 | 101.7 Ų | 101.7 | 88% | 0.884 | 52% | 0.52 | S | S | * | . | trans | -92.7 | -0.7 | -172.1 | -101.5 | -80.5 | 0 | 0 | 0 | 116 | Q1216 | Q1216-H1218 PolarHBondContact O-N 3Š| ||
| 1219 | S | 38.5 | Very low | 34.2 | Very low | 47 Ų | 47 | 97 Ų | 97 | 33% | 0.329 | 51% | 0.508 | S | S | . | . | trans | -117.2 | 133.9 | 174.1 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | S1221 C1222 | S1219-S1221 PolarHBondContact O-N 2.95Å; S1219-S1221 PolarHBondContact OG-OG 3.01Å; S1219-C1222 PolarHBondContact O-N 3.34Å; S1219-C1222 PolarHBondContact OG-SG 3.04Å; S1219-C1222 VanDerWaalsContact OG-SG 3.33Å | ||
| 1220 | L | 34.1 | Very low | 35 | Very low | 100 Ų | 100 | 96 Ų | 96 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -26.6 | 177.3 | -163.9 | 66.2 | 0 | 0 | 0 | 111.9 | L1040 F1223 T1224 | L1040-L1220 HydrophobicContact CD1-CD1 4.37Å; L1040-L1220 HydrophobicContact CD2-CD1 3.93Å; L1220-F1223 WeakPolarHBondContact O-CB 3.4Å; L1220-F1223 PolarHBondContact O-N 2.97Å; L1220-T1224 PolarHBondContact O-N 2.87Å |
| 1221 | S | 40.1 | Very low | 36 | Very low | 61 Ų | 61 | 91.6 Ų | 91.6 | 43% | 0.427 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 174 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | S1219 F1223 T1224 D1225 | S1219-S1221 PolarHBondContact O-N 2.95Å; S1219-S1221 PolarHBondContact OG-OG 3.01Å; S1221-F1223 PolarHBondContact O-N 2.83Å; S1221-F1223 VanDerWaalsContact O-N 3.14Å; S1221-T1224 WeakPolarHBondContact CA-OG1 3.16Å; S1221-T1224 PolarHBondContact O-N 3.21Å; S1221-T1224 PolarHBondContact O-OG1 3.11Å; S1221-D1225 WeakPolarHBondContact O-CB 3.5Å; S1221-D1225 PolarHBondContact O-N 2.99Å |
| 1222 | C | 37 | Very low | 37.2 | Very low | 67 Ų | 67 | 88.6 Ų | 88.6 | 45% | 0.453 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -25.1 | 177.7 | -75 | 0 | 0 | 0 | 0 | 113.1 | S1219 L1226 | S1219-C1222 PolarHBondContact O-N 3.34Å; S1219-C1222 PolarHBondContact OG-SG 3.04Å; S1219-C1222 VanDerWaalsContact OG-SG 3.33Å; C1222-L1226 VanDerWaalsContact O-CB 3.22Å; C1222-L1226 WeakPolarHBondContact O-CB 3.25Å; C1222-L1226 PolarHBondContact O-N 2.84Å |
| 1223 | F | 38 | Very low | 37.8 | Very low | 55 Ų | 55 | 87.4 Ų | 87.4 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -72.5 | -44 | 170.8 | -176.5 | -93.7 | 0 | 0 | 0 | 111.8 | T1044 L1220 S1221 L1227 | T1044-F1223 HydrophobicContact CG2-CE1 3.62Å; T1044-F1223 HydrophobicContact CG2-CZ 3.91Å; L1220-F1223 WeakPolarHBondContact O-CB 3.4Å; L1220-F1223 PolarHBondContact O-N 2.97Å; S1221-F1223 PolarHBondContact O-N 2.83Å; S1221-F1223 VanDerWaalsContact O-N 3.14Å; F1223-L1227 WeakPolarHBondContact O-CB 3.47Å; F1223-L1227 PolarHBondContact O-N 2.86Å |
| 1224 | T | 44.3 | Very low | 38.6 | Very low | 53 Ų | 53 | 83.9 Ų | 83.9 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | L1040 L1220 S1221 L1226 L1227 M1228 | L1040-T1224 HydrophobicContact CD1-CG2 4.44Å; L1220-T1224 PolarHBondContact O-N 2.87Å; S1221-T1224 WeakPolarHBondContact CA-OG1 3.16Å; S1221-T1224 PolarHBondContact O-N 3.21Å; S1221-T1224 PolarHBondContact O-OG1 3.11Å; T1224-L1226 VanDerWaalsContact C-N 3.32Å; T1224-L1226 PolarHBondContact O-N 2.94Å; T1224-L1227 WeakPolarHBondContact O-CB 3.4Å; T1224-L1227 PolarHBondContact O-N 3.14Å; T1224-M1228 WeakPolarHBondContact O-CG 3.34Å; T1224-M1228 PolarHBondContact O-N 2.8Å |
| 1225 | D | 42.6 | Very low | 39.5 | Very low | 86 Ų | 86 | 84.4 Ų | 84.4 | 46% | 0.46 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | -178.9 | -58.1 | -22.6 | 0 | 0 | 0 | 111.4 | S1221 N1229 | S1221-D1225 WeakPolarHBondContact O-CB 3.5Å; S1221-D1225 PolarHBondContact O-N 2.99Å; D1225-N1229 WeakPolarHBondContact O-CB 3.45Å; D1225-N1229 PolarHBondContact O-N 3.09Å; D1225-N1229 PolarHBondContact O-ND2 3.26Å |
| 1226 | L | 41.6 | Very low | 40.1 | Very low | 110 Ų | 110 | 80.7 Ų | 80.7 | 58% | 0.576 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -74.2 | -34 | 175.2 | -170.4 | 142.5 | 0 | 0 | 0 | 112.1 | C1222 T1224 L1230 | C1222-L1226 VanDerWaalsContact O-CB 3.22Å; C1222-L1226 WeakPolarHBondContact O-CB 3.25Å; C1222-L1226 PolarHBondContact O-N 2.84Å; T1224-L1226 VanDerWaalsContact C-N 3.32Å; T1224-L1226 PolarHBondContact O-N 2.94Å; L1226-L1230 HydrophobicContact CD2-CD1 3.9Å; L1226-L1230 WeakPolarHBondContact O-CG 3.36Å; L1226-L1230 PolarHBondContact O-N 2.91Å |
| 1227 | L | 45 | Very low | 40.8 | Very low | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 172.5 | -170.2 | 71.4 | 0 | 0 | 0 | 111.4 | I1043 C1047 F1051 L1117 F1223 T1224 L1230 L1231 | I1043-L1227 HydrophobicContact CG2-CD2 4.21Å; C1047-L1227 HydrophobicContact CB-CD1 4.24Å; F1051-L1227 HydrophobicContact CE2-CD1 4.38Å; L1117-L1227 HydrophobicContact CD1-CD1 4.16Å; F1223-L1227 WeakPolarHBondContact O-CB 3.47Å; F1223-L1227 PolarHBondContact O-N 2.86Å; T1224-L1227 WeakPolarHBondContact O-CB 3.4Å; T1224-L1227 PolarHBondContact O-N 3.14Å; L1227-L1230 PolarHBondContact O-N 2.93Å; L1227-L1231 PolarHBondContact O-N 3.37Å |
| 1228 | M | 48.3 | Very low | 41.7 | Very low | 99 Ų | 99 | 75.1 Ų | 75.1 | 49% | 0.488 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 177.7 | -69 | -55.8 | -60.2 | 0 | 0 | 112 | T1224 L1230 L1231 D1232 | T1224-M1228 WeakPolarHBondContact O-CG 3.34Å; T1224-M1228 PolarHBondContact O-N 2.8Å; M1228-L1230 PolarHBondContact O-N 2.73Å; M1228-L1231 HydrophobicContact CE-CD2 4.4Å; M1228-L1231 WeakPolarHBondContact O-CB 3.36Å; M1228-L1231 PolarHBondContact O-N 2.86Å; M1228-L1231 HydrophobicContact SD-CD2 4.37Å; M1228-D1232 PolarHBondContact O-N 3.2Å |
| 1229 | N | 46.8 | Very low | 42.4 | Very low | 96 Ų | 96 | 70.3 Ų | 70.3 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.6 | -33.6 | 173.6 | -91.2 | -90.8 | 0 | 0 | 0 | 113 | D1225 Q1233 | D1225-N1229 WeakPolarHBondContact O-CB 3.45Å; D1225-N1229 PolarHBondContact O-N 3.09Å; D1225-N1229 PolarHBondContact O-ND2 3.26Å; N1229-Q1233 VanDerWaalsContact O-CG 3.29Å; N1229-Q1233 WeakPolarHBondContact O-CG 3.16Å; N1229-Q1233 PolarHBondContact O-N 2.87Å |
| 1230 | L | 41.1 | Very low | 42.5 | Very low | 38 Ų | 38 | 70.5 Ų | 70.5 | 20% | 0.199 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.5 | -35.2 | 173.1 | -79.5 | 166 | 0 | 0 | 0 | 112.2 | F1051 L1226 L1227 M1228 V1234 | F1051-L1230 HydrophobicContact CE1-CB 4.42Å; F1051-L1230 HydrophobicContact CZ-CB 4.01Å; L1226-L1230 HydrophobicContact CD2-CD1 3.9Å; L1226-L1230 WeakPolarHBondContact O-CG 3.36Å; L1226-L1230 PolarHBondContact O-N 2.91Å; L1227-L1230 PolarHBondContact O-N 2.93Å; M1228-L1230 PolarHBondContact O-N 2.73Å; L1230-V1234 WeakPolarHBondContact O-CG2 3.25Å; L1230-V1234 PolarHBondContact O-N 3.06Å |
| 1231 | L | 46.5 | Very low | 42.8 | Very low | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 178.4 | -153.5 | 75.7 | 0 | 0 | 0 | 111.8 | L1227 M1228 V1234 Q1235 | L1227-L1231 PolarHBondContact O-N 3.37Å; M1228-L1231 HydrophobicContact CE-CD2 4.4Å; M1228-L1231 WeakPolarHBondContact O-CB 3.36Å; M1228-L1231 PolarHBondContact O-N 2.86Å; M1228-L1231 HydrophobicContact SD-CD2 4.37Å; L1231-V1234 WeakPolarHBondContact O-CB 3.07Å; L1231-V1234 PolarHBondContact O-N 3.08Å; L1231-V1234 VanDerWaalsContact O-N 3.14Å; L1231-Q1235 PolarHBondContact O-N 2.82Å |
| 1232 | D | 46 | Very low | 43 | Very low | 77 Ų | 77 | 68.3 Ų | 68.3 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 173.5 | -74.4 | -2.1 | 0 | 0 | 0 | 110.8 | M1228 V1234 Q1235 F1236 | M1228-D1232 PolarHBondContact O-N 3.2Å; D1232-V1234 PolarHBondContact O-N 2.97Å; D1232-Q1235 PolarHBondContact O-N 3.37Å; D1232-F1236 HydrophobicContact CB-CE2 4.38Å; D1232-F1236 WeakPolarHBondContact O-CD2 3.35Å; D1232-F1236 WeakPolarHBondContact O-CG 3.27Å; D1232-F1236 PolarHBondContact O-N 3.01Å; D1232-F1236 VanDerWaalsContact O-N 3.13Å |
| 1233 | Q | 41.1 | Very low | 43.3 | Very low | 97 Ų | 97 | 68.1 Ų | 68.1 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -30.9 | 176.3 | -75.7 | 178.2 | 38.1 | 0 | 0 | 112.8 | N1229 Y1237 | N1229-Q1233 VanDerWaalsContact O-CG 3.29Å; N1229-Q1233 WeakPolarHBondContact O-CG 3.16Å; N1229-Q1233 PolarHBondContact O-N 2.87Å; Q1233-Y1237 WeakPolarHBondContact O-CB 3.41Å; Q1233-Y1237 PolarHBondContact O-N 2.86Å |
| 1234 | V | 43.2 | Very low | 43.4 | Very low | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71 | -48.3 | 174.3 | 155.9 | 0 | 0 | 0 | 0 | 112.1 | F1051 V1054 L1230 L1231 D1232 F1236 Y1237 E1238 | F1051-V1234 HydrophobicContact CD1-CG2 3.9Å; F1051-V1234 HydrophobicContact CE1-CG2 3.63Å; V1054-V1234 HydrophobicContact CB-CG1 4.45Å; V1054-V1234 HydrophobicContact CG1-CG1 4.24Å; V1054-V1234 HydrophobicContact CG2-CG1 3.7Å; L1230-V1234 WeakPolarHBondContact O-CG2 3.25Å; L1230-V1234 PolarHBondContact O-N 3.06Å; L1231-V1234 WeakPolarHBondContact O-CB 3.07Å; L1231-V1234 PolarHBondContact O-N 3.08Å; L1231-V1234 VanDerWaalsContact O-N 3.14Å; D1232-V1234 PolarHBondContact O-N 2.97Å; V1234-F1236 VanDerWaalsContact C-N 3.28Å; V1234-F1236 PolarHBondContact O-N 3.36Å; V1234-Y1237 CarbonylContact O-C 3.47Å; V1234-Y1237 WeakPolarHBondContact O-CA 3.44Å; V1234-Y1237 WeakPolarHBondContact O-CB 3.41Å; V1234-Y1237 PolarHBondContact O-N 3.37Å; V1234-E1238 WeakPolarHBondContact O-CB 3.49Å; V1234-E1238 PolarHBondContact O-N 3.09Å |
| 1235 | Q | 44.2 | Very low | 43.3 | Very low | 112 Ų | 112 | 64.3 Ų | 64.3 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 178 | -71.4 | -170.6 | -9.4 | 0 | 0 | 111.7 | L1231 D1232 Y1237 E1238 I1239 | L1231-Q1235 PolarHBondContact O-N 2.82Å; D1232-Q1235 PolarHBondContact O-N 3.37Å; Q1235-Y1237 PolarHBondContact O-N 3.16Å; Q1235-E1238 PolarHBondContact O-N 3.15Å; Q1235-I1239 WeakPolarHBondContact O-CD1 3.35Å; Q1235-I1239 VanDerWaalsContact O-CG1 3.28Å; Q1235-I1239 WeakPolarHBondContact O-CG1 3.42Å; Q1235-I1239 PolarHBondContact O-N 3.12Å |
| 1236 | F | 40.7 | Very low | 43.4 | Very low | 114 Ų | 114 | 63.4 Ų | 63.4 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -26.8 | 175 | -74.7 | -47.1 | 0 | 0 | 0 | 113.7 | D1232 V1234 H1364 | D1232-F1236 HydrophobicContact CB-CE2 4.38Å; D1232-F1236 WeakPolarHBondContact O-CD2 3.35Å; D1232-F1236 WeakPolarHBondContact O-CG 3.27Å; D1232-F1236 PolarHBondContact O-N 3.01Å; D1232-F1236 VanDerWaalsContact O-N 3.13Å; V1234-F1236 VanDerWaalsContact C-N 3.28Å; V1234-F1236 PolarHBondContact O-N 3.36Å; F1236-H1364 WeakPolarHBondContact CB-NE2 3.4Å; F1236-H1364 AromaticContact CD1-NE2 3.31Å; F1236-H1364 VanDerWaalsContact CD1-NE2 3.31Å; F1236-H1364 WeakPolarHBondContact CD1-NE2 3.49Å; F1236-H1364 AromaticContact CG-NE2 3.63Å; F1236-H1364 PolarHBondContact O-CE1 2.73Å; F1236-H1364 PolarHBondContact O-NE2 3.15Å |
| 1237 | Y | 42.6 | Very low | 43.4 | Very low | 30 Ų | 30 | 59.2 Ų | 59.2 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -88 | -38.8 | 177.5 | -166.3 | -126 | 0 | 0 | 0 | 112.5 | E1058 Q1103 F1106 Q1233 V1234 Q1235 W1240 I1241 | E1058-Y1237 HydrophobicContact CG-CE1 4.35Å; E1058-Y1237 WeakPolarHBondContact OE1-CE1 3.26Å; E1058-Y1237 PolarHBondContact OE1-OH 2.72Å; Q1103-Y1237 WeakPolarHBondContact CG-OH 3.38Å; Q1103-Y1237 PolarHBondContact NE2-OH 2.89Å; F1106-Y1237 HydrophobicContact CD1-CE1 4.22Å; F1106-Y1237 AromaticContact CE1-CD1 3.99Å; F1106-Y1237 HydrophobicContact CE1-CD1 3.99Å; F1106-Y1237 HydrophobicContact CE1-CE1 4.12Å; F1106-Y1237 HydrophobicContact CE1-CG 4.32Å; Q1233-Y1237 WeakPolarHBondContact O-CB 3.41Å; Q1233-Y1237 PolarHBondContact O-N 2.86Å; V1234-Y1237 CarbonylContact O-C 3.47Å; V1234-Y1237 WeakPolarHBondContact O-CA 3.44Å; V1234-Y1237 WeakPolarHBondContact O-CB 3.41Å; V1234-Y1237 PolarHBondContact O-N 3.37Å; Q1235-Y1237 PolarHBondContact O-N 3.16Å; Y1237-W1240 HydrophobicContact CD2-CE3 4.3Å; Y1237-W1240 AromaticContact CE2-CE3 3.93Å; Y1237-W1240 HydrophobicContact CE2-CE3 3.93Å; Y1237-W1240 HydrophobicContact CE2-CZ3 4.2Å; Y1237-W1240 WeakPolarHBondContact O-CA 3.25Å; Y1237-W1240 WeakPolarHBondContact O-CB 3.44Å; Y1237-W1240 PolarHBondContact O-N 3.11Å; Y1237-I1241 HydrophobicContact CD1-CD1 3.87Å; Y1237-I1241 HydrophobicContact CE1-CD1 3.75Å; Y1237-I1241 HydrophobicContact CE1-CG1 4.46Å; Y1237-I1241 PolarHBondContact O-N 3.3Å |
| 1238 | E | 44.2 | Very low | 43.3 | Very low | 98 Ų | 98 | 60.1 Ų | 60.1 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 173.4 | -176.8 | 179.1 | -169.2 | 0 | 0 | 111.3 | V1234 Q1235 W1240 I1241 Q1242 | V1234-E1238 WeakPolarHBondContact O-CB 3.49Å; V1234-E1238 PolarHBondContact O-N 3.09Å; Q1235-E1238 PolarHBondContact O-N 3.15Å; E1238-W1240 PolarHBondContact O-N 2.95Å; E1238-I1241 PolarHBondContact O-N 3.06Å; E1238-Q1242 WeakPolarHBondContact O-CB 3.1Å; E1238-Q1242 PolarHBondContact O-N 3.27Å |
| 1239 | I | 43.6 | Very low | 43 | Very low | 91 Ų | 91 | 56.6 Ų | 56.6 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.6 | -37.7 | 174.1 | -68.4 | 165.5 | 0 | 0 | 0 | 111.3 | Q1235 N1243 | Q1235-I1239 WeakPolarHBondContact O-CD1 3.35Å; Q1235-I1239 VanDerWaalsContact O-CG1 3.28Å; Q1235-I1239 WeakPolarHBondContact O-CG1 3.42Å; Q1235-I1239 PolarHBondContact O-N 3.12Å; I1239-N1243 PolarHBondContact O-N 2.82Å; I1239-N1243 VanDerWaalsContact O-N 3.16Å; I1239-N1243 PolarHBondContact O-ND2 3.16Å |
| 1240 | W | 41.1 | Very low | 42.9 | Very low | 51 Ų | 51 | 57 Ų | 57 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.3 | -40.9 | 178.9 | -179.3 | 84.6 | 0 | 0 | 0 | 112.4 | Y1061 Y1237 E1238 S1244 | Y1061-W1240 HydrophobicContact CD1-CZ3 4.34Å; Y1061-W1240 AromaticContact CE1-CH2 3.67Å; Y1061-W1240 HydrophobicContact CE1-CH2 3.67Å; Y1061-W1240 AromaticContact CE1-CZ3 3.7Å; Y1061-W1240 HydrophobicContact CE1-CZ3 3.7Å; Y1061-W1240 AromaticContact CZ-CH2 3.79Å; Y1061-W1240 AromaticContact CZ-CZ3 3.99Å; Y1061-W1240 WeakPolarHBondContact OH-CH2 3.37Å; Y1237-W1240 HydrophobicContact CD2-CE3 4.3Å; Y1237-W1240 AromaticContact CE2-CE3 3.93Å; Y1237-W1240 HydrophobicContact CE2-CE3 3.93Å; Y1237-W1240 HydrophobicContact CE2-CZ3 4.2Å; Y1237-W1240 WeakPolarHBondContact O-CA 3.25Å; Y1237-W1240 WeakPolarHBondContact O-CB 3.44Å; Y1237-W1240 PolarHBondContact O-N 3.11Å; E1238-W1240 PolarHBondContact O-N 2.95Å; W1240-S1244 WeakPolarHBondContact O-CB 3.42Å; W1240-S1244 PolarHBondContact O-N 3Å; W1240-S1244 VanDerWaalsContact O-N 3.17Å; W1240-S1244 PolarHBondContact O-OG 3.39Å |
| 1241 | I | 41.4 | Very low | 42.9 | Very low | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 172.8 | -69.2 | 172.5 | 0 | 0 | 0 | 109.9 | E1058 Y1061 Y1237 E1238 S1244 A1245 | E1058-I1241 HydrophobicContact CB-CD1 3.86Å; E1058-I1241 HydrophobicContact CG-CD1 4.42Å; Y1061-I1241 HydrophobicContact CG-CG2 4.48Å; Y1237-I1241 HydrophobicContact CD1-CD1 3.87Å; Y1237-I1241 HydrophobicContact CE1-CD1 3.75Å; Y1237-I1241 HydrophobicContact CE1-CG1 4.46Å; Y1237-I1241 PolarHBondContact O-N 3.3Å; E1238-I1241 PolarHBondContact O-N 3.06Å; I1241-S1244 PolarHBondContact O-N 3.43Å; I1241-S1244 PolarHBondContact O-OG 3.4Å; I1241-S1244 VanDerWaalsContact O-OG 3.09Å; I1241-A1245 WeakPolarHBondContact O-CB 3.18Å; I1241-A1245 PolarHBondContact O-N 2.99Å |
| 1242 | Q | 43.2 | Very low | 42.7 | Very low | 105 Ų | 105 | 57.6 Ų | 57.6 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.9 | -56.8 | -178.3 | -174.8 | 59.3 | 42.6 | 0 | 0 | 111.5 | E1238 S1244 A1245 D1246 | E1238-Q1242 WeakPolarHBondContact O-CB 3.1Å; E1238-Q1242 PolarHBondContact O-N 3.27Å; Q1242-S1244 PolarHBondContact O-N 3.33Å; Q1242-S1244 VanDerWaalsContact O-N 3.16Å; Q1242-A1245 PolarHBondContact O-N 3.19Å; Q1242-A1245 VanDerWaalsContact O-N 3.14Å; Q1242-D1246 PolarHBondContact NE2-OD1 2.85Å; Q1242-D1246 PolarHBondContact NE2-OD2 2.96Å; Q1242-D1246 WeakPolarHBondContact O-CB 3.24Å; Q1242-D1246 PolarHBondContact O-N 3.44Å; Q1242-D1246 VanDerWaalsContact O-OD2 3.13Å |
| 1243 | N | 42.9 | Very low | 42.5 | Very low | 64 Ų | 64 | 56.4 Ų | 56.4 | 34% | 0.342 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -27.6 | -178.7 | -79.1 | -92.9 | 0 | 0 | 0 | 113.5 | I1239 L1247 M1361 | I1239-N1243 PolarHBondContact O-N 2.82Å; I1239-N1243 VanDerWaalsContact O-N 3.16Å; I1239-N1243 PolarHBondContact O-ND2 3.16Å; N1243-L1247 WeakPolarHBondContact O-CB 3.45Å; N1243-L1247 PolarHBondContact O-N 3.15Å; N1243-M1361 HydrophobicContact CB-CE 3.47Å; N1243-M1361 VanDerWaalsContact CB-CE 3.47Å |
| 1244 | S | 41.1 | Very low | 42.3 | Very low | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -85.7 | -28.3 | 178 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | Y1061 W1240 I1241 Q1242 L1248 | Y1061-S1244 WeakPolarHBondContact CE2-OG 3.41Å; W1240-S1244 WeakPolarHBondContact O-CB 3.42Å; W1240-S1244 PolarHBondContact O-N 3Å; W1240-S1244 VanDerWaalsContact O-N 3.17Å; W1240-S1244 PolarHBondContact O-OG 3.39Å; I1241-S1244 PolarHBondContact O-N 3.43Å; I1241-S1244 PolarHBondContact O-OG 3.4Å; I1241-S1244 VanDerWaalsContact O-OG 3.09Å; Q1242-S1244 PolarHBondContact O-N 3.33Å; Q1242-S1244 VanDerWaalsContact O-N 3.16Å; S1244-L1248 PolarHBondContact O-N 3.07Å; S1244-L1248 VanDerWaalsContact O-N 3.16Å |
| 1245 | A | 43 | Very low | 42.1 | Very low | 19 Ų | 19 | 55.6 Ų | 55.6 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1241 Q1242 L1248 T1249 | I1241-A1245 WeakPolarHBondContact O-CB 3.18Å; I1241-A1245 PolarHBondContact O-N 2.99Å; Q1242-A1245 PolarHBondContact O-N 3.19Å; Q1242-A1245 VanDerWaalsContact O-N 3.14Å; A1245-L1248 CarbonylContact O-C 3.53Å; A1245-L1248 WeakPolarHBondContact O-CA 3.38Å; A1245-L1248 WeakPolarHBondContact O-CB 3.18Å; A1245-L1248 PolarHBondContact O-N 3.44Å; A1245-L1248 VanDerWaalsContact O-N 3.11Å; A1245-T1249 WeakPolarHBondContact O-CG2 3.48Å; A1245-T1249 PolarHBondContact O-N 3.46Å; A1245-T1249 PolarHBondContact O-OG1 2.97Å |
| 1246 | D | 43.2 | Very low | 41.9 | Very low | 67 Ų | 67 | 53.3 Ų | 53.3 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.9 | -52.5 | 175.9 | -68 | -32.2 | 0 | 0 | 0 | 110.7 | Q1242 L1248 T1249 E1250 | Q1242-D1246 PolarHBondContact NE2-OD1 2.85Å; Q1242-D1246 PolarHBondContact NE2-OD2 2.96Å; Q1242-D1246 WeakPolarHBondContact O-CB 3.24Å; Q1242-D1246 PolarHBondContact O-N 3.44Å; Q1242-D1246 VanDerWaalsContact O-OD2 3.13Å; D1246-L1248 VanDerWaalsContact C-N 3.25Å; D1246-L1248 PolarHBondContact O-N 3.31Å; D1246-T1249 WeakPolarHBondContact CA-OG1 3.49Å; D1246-T1249 PolarHBondContact O-N 2.87Å; D1246-T1249 PolarHBondContact O-OG1 3.49Å; D1246-E1250 PolarHBondContact O-N 3.32Å |
| 1247 | L | 42.9 | Very low | 41.7 | Very low | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -49.3 | -46.6 | 170.7 | 169.9 | 72.3 | 0 | 0 | 0 | 111.7 | N1243 L1251 L1353 L1354 L1357 | N1243-L1247 WeakPolarHBondContact O-CB 3.45Å; N1243-L1247 PolarHBondContact O-N 3.15Å; L1247-L1251 HydrophobicContact CD1-CD1 4.21Å; L1247-L1251 HydrophobicContact CG-CD1 4.22Å; L1247-L1251 VanDerWaalsContact O-CG 3.28Å; L1247-L1251 WeakPolarHBondContact O-CG 3.37Å; L1247-L1251 PolarHBondContact O-N 3.22Å; L1247-L1251 VanDerWaalsContact O-N 3.15Å; L1247-L1353 HydrophobicContact CD1-CD2 4.47Å; L1247-L1354 HydrophobicContact CD1-CD1 4.34Å; L1247-L1354 HydrophobicContact CD2-CD1 3.67Å; L1247-L1357 HydrophobicContact CB-CD1 4.15Å; L1247-L1357 HydrophobicContact CD1-CD1 4.06Å |
| 1248 | L | 42.8 | Very low | 41.4 | Very low | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 179 | -134.3 | 73.2 | 0 | 0 | 0 | 110.9 | D1064 L1068 S1244 A1245 D1246 E1250 L1251 W1252 | D1064-L1248 HydrophobicContact CB-CD2 3.75Å; L1068-L1248 HydrophobicContact CD1-CD1 3.75Å; L1068-L1248 HydrophobicContact CD1-CD2 3.98Å; L1068-L1248 HydrophobicContact CD1-CG 4.24Å; S1244-L1248 PolarHBondContact O-N 3.07Å; S1244-L1248 VanDerWaalsContact O-N 3.16Å; A1245-L1248 CarbonylContact O-C 3.53Å; A1245-L1248 WeakPolarHBondContact O-CA 3.38Å; A1245-L1248 WeakPolarHBondContact O-CB 3.18Å; A1245-L1248 PolarHBondContact O-N 3.44Å; A1245-L1248 VanDerWaalsContact O-N 3.11Å; D1246-L1248 VanDerWaalsContact C-N 3.25Å; D1246-L1248 PolarHBondContact O-N 3.31Å; L1248-E1250 PolarHBondContact O-N 3.01Å; L1248-L1251 PolarHBondContact O-N 2.97Å; L1248-W1252 PolarHBondContact O-N 3.3Å |
| 1249 | T | 41.8 | Very low | 40.8 | Very low | 26 Ų | 26 | 49.3 Ų | 49.3 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.4 | -34.2 | -179.4 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | A1245 D1246 W1252 V1253 | A1245-T1249 WeakPolarHBondContact O-CG2 3.48Å; A1245-T1249 PolarHBondContact O-N 3.46Å; A1245-T1249 PolarHBondContact O-OG1 2.97Å; D1246-T1249 WeakPolarHBondContact CA-OG1 3.49Å; D1246-T1249 PolarHBondContact O-N 2.87Å; D1246-T1249 PolarHBondContact O-OG1 3.49Å; T1249-W1252 PolarHBondContact O-N 3.43Å; T1249-V1253 VanDerWaalsContact O-CB 3.26Å; T1249-V1253 WeakPolarHBondContact O-CB 2.96Å; T1249-V1253 WeakPolarHBondContact O-CG2 3.48Å; T1249-V1253 PolarHBondContact O-N 3.24Å |
| 1250 | E | 44.8 | Very low | 40.4 | Very low | 104 Ų | 104 | 48.6 Ų | 48.6 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.4 | -45 | 169.5 | -75.6 | -154.9 | 150.5 | 0 | 0 | 111.6 | D1246 L1248 V1253 L1254 | D1246-E1250 PolarHBondContact O-N 3.32Å; L1248-E1250 PolarHBondContact O-N 3.01Å; E1250-V1253 PolarHBondContact O-N 3.33Å; E1250-L1254 WeakPolarHBondContact O-CB 3.17Å; E1250-L1254 VanDerWaalsContact O-CG 3.26Å; E1250-L1254 WeakPolarHBondContact O-CG 3.49Å; E1250-L1254 PolarHBondContact O-N 3.12Å |
| 1251 | L | 41.7 | Very low | 40.1 | Very low | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.4 | -66.4 | 170.4 | 0 | 0 | 0 | 111.9 | L1247 L1248 A1255 Y1350 L1353 | L1247-L1251 HydrophobicContact CD1-CD1 4.21Å; L1247-L1251 HydrophobicContact CG-CD1 4.22Å; L1247-L1251 VanDerWaalsContact O-CG 3.28Å; L1247-L1251 WeakPolarHBondContact O-CG 3.37Å; L1247-L1251 PolarHBondContact O-N 3.22Å; L1247-L1251 VanDerWaalsContact O-N 3.15Å; L1248-L1251 PolarHBondContact O-N 2.97Å; L1251-A1255 WeakPolarHBondContact O-CB 3.41Å; L1251-A1255 PolarHBondContact O-N 3.45Å; L1251-A1255 VanDerWaalsContact O-N 3.09Å; L1251-Y1350 HydrophobicContact CD2-CD1 3.31Å; L1251-Y1350 HydrophobicContact CD2-CE1 3.89Å; L1251-Y1350 HydrophobicContact CD2-CG 3.83Å; L1251-L1353 HydrophobicContact CD2-CD2 4.28Å |
| 1252 | W | 42.2 | Very low | 39.6 | Very low | 38 Ų | 38 | 50.6 Ų | 50.6 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 174.9 | -79 | 114.6 | 0 | 0 | 0 | 112.5 | F1067 L1248 T1249 A1255 F1256 L1323 | F1067-W1252 HydrophobicContact CD1-CH2 4.37Å; F1067-W1252 HydrophobicContact CD1-CZ2 4.29Å; F1067-W1252 AromaticContact CE1-CH2 3.77Å; F1067-W1252 HydrophobicContact CE1-CH2 3.77Å; F1067-W1252 HydrophobicContact CE1-CZ2 4.14Å; L1248-W1252 PolarHBondContact O-N 3.3Å; T1249-W1252 PolarHBondContact O-N 3.43Å; W1252-A1255 PolarHBondContact O-N 2.84Å; W1252-F1256 WeakPolarHBondContact O-CB 3.43Å; W1252-F1256 PolarHBondContact O-N 3.17Å; W1252-L1323 HydrophobicContact CE3-CD1 3.71Å; W1252-L1323 HydrophobicContact CH2-CB 4.46Å; W1252-L1323 HydrophobicContact CZ3-CB 4.05Å; W1252-L1323 HydrophobicContact CZ3-CD1 3.88Å; W1252-L1323 HydrophobicContact CZ3-CD2 4.16Å; W1252-L1323 HydrophobicContact CZ3-CG 4.24Å |
| 1253 | V | 40.2 | Very low | 38.9 | Very low | 51 Ų | 51 | 52.3 Ų | 52.3 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 179.4 | 165.8 | 0 | 0 | 0 | 0 | 111.2 | T1249 E1250 A1255 F1256 I1257 | T1249-V1253 VanDerWaalsContact O-CB 3.26Å; T1249-V1253 WeakPolarHBondContact O-CB 2.96Å; T1249-V1253 WeakPolarHBondContact O-CG2 3.48Å; T1249-V1253 PolarHBondContact O-N 3.24Å; E1250-V1253 PolarHBondContact O-N 3.33Å; V1253-A1255 VanDerWaalsContact C-N 3.34Å; V1253-A1255 PolarHBondContact O-N 3.04Å; V1253-F1256 PolarHBondContact O-N 2.91Å; V1253-I1257 HydrophobicContact CG1-CD1 3.65Å; V1253-I1257 HydrophobicContact CG1-CG1 4.31Å; V1253-I1257 WeakPolarHBondContact O-CB 3.46Å; V1253-I1257 VanDerWaalsContact O-CG1 3.3Å; V1253-I1257 WeakPolarHBondContact O-CG1 3.46Å; V1253-I1257 PolarHBondContact O-N 2.86Å |
| 1254 | L | 38.7 | Very low | 38.2 | Very low | 76 Ų | 76 | 53.4 Ų | 53.4 | 40% | 0.398 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 173.8 | -73.2 | 170.2 | 0 | 0 | 0 | 111.2 | E1250 D1258 Y1350 | E1250-L1254 WeakPolarHBondContact O-CB 3.17Å; E1250-L1254 VanDerWaalsContact O-CG 3.26Å; E1250-L1254 WeakPolarHBondContact O-CG 3.49Å; E1250-L1254 PolarHBondContact O-N 3.12Å; L1254-D1258 WeakPolarHBondContact O-CB 3.36Å; L1254-D1258 PolarHBondContact O-N 3.16Å; L1254-Y1350 HydrophobicContact CB-CE1 4.19Å; L1254-Y1350 HydrophobicContact CD1-CE1 4.02Å |
| 1255 | A | 38.9 | Very low | 37.5 | Very low | 7 Ų | 7 | 59 Ų | 59 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1251 W1252 V1253 D1258 I1259 L1340 | L1251-A1255 WeakPolarHBondContact O-CB 3.41Å; L1251-A1255 PolarHBondContact O-N 3.45Å; L1251-A1255 VanDerWaalsContact O-N 3.09Å; W1252-A1255 PolarHBondContact O-N 2.84Å; V1253-A1255 VanDerWaalsContact C-N 3.34Å; V1253-A1255 PolarHBondContact O-N 3.04Å; A1255-D1258 PolarHBondContact O-N 2.88Å; A1255-I1259 WeakPolarHBondContact O-CD1 3.43Å; A1255-I1259 WeakPolarHBondContact O-CG1 3.44Å; A1255-I1259 PolarHBondContact O-N 2.75Å; A1255-L1340 HydrophobicContact CB-CD2 3.99Å |
| 1256 | F | 38.3 | Very low | 36.6 | Very low | 64 Ų | 64 | 62.5 Ų | 62.5 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | -179.7 | -175 | -106.5 | 0 | 0 | 0 | 112.9 | W1252 V1253 I1259 L1260 T1319 | W1252-F1256 WeakPolarHBondContact O-CB 3.43Å; W1252-F1256 PolarHBondContact O-N 3.17Å; V1253-F1256 PolarHBondContact O-N 2.91Å; F1256-I1259 PolarHBondContact O-N 3.33Å; F1256-L1260 HydrophobicContact CD1-CD1 3.98Å; F1256-L1260 HydrophobicContact CE1-CD1 3.55Å; F1256-L1260 HydrophobicContact CE1-CG 4.27Å; F1256-L1260 HydrophobicContact CZ-CD1 4.02Å; F1256-L1260 HydrophobicContact CZ-CG 4.36Å; F1256-L1260 WeakPolarHBondContact O-CG 3.49Å; F1256-L1260 PolarHBondContact O-N 2.88Å; F1256-T1319 HydrophobicContact CG-CG2 4.37Å |
| 1257 | I | 38.3 | Very low | 35.9 | Very low | 88 Ų | 88 | 66.2 Ų | 66.2 | 45% | 0.451 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 174.5 | -69.1 | 169 | 0 | 0 | 0 | 110.6 | V1253 L1260 S1261 | V1253-I1257 HydrophobicContact CG1-CD1 3.65Å; V1253-I1257 HydrophobicContact CG1-CG1 4.31Å; V1253-I1257 WeakPolarHBondContact O-CB 3.46Å; V1253-I1257 VanDerWaalsContact O-CG1 3.3Å; V1253-I1257 WeakPolarHBondContact O-CG1 3.46Å; V1253-I1257 PolarHBondContact O-N 2.86Å; I1257-L1260 PolarHBondContact O-N 2.79Å; I1257-S1261 WeakPolarHBondContact O-CB 3.5Å; I1257-S1261 PolarHBondContact O-N 2.72Å; I1257-S1261 PolarHBondContact O-OG 3.38Å |
| 1258 | D | 34.5 | Very low | 35.1 | Very low | 28 Ų | 28 | 74.8 Ų | 74.8 | 15% | 0.15 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.8 | -33.8 | 177.3 | -93.4 | -20.5 | 0 | 0 | 0 | 112.9 | L1254 A1255 S1262 Y1339 R1346 | L1254-D1258 WeakPolarHBondContact O-CB 3.36Å; L1254-D1258 PolarHBondContact O-N 3.16Å; A1255-D1258 PolarHBondContact O-N 2.88Å; D1258-S1262 PolarHBondContact O-N 2.78Å; D1258-Y1339 HydrophobicContact CB-CE1 3.94Å; D1258-Y1339 PolarHBondContact O-OH 3.49Å; D1258-Y1339 VanDerWaalsContact O-OH 3.13Å; D1258-R1346 IonicContact OD1-CZ 2.66Å; D1258-R1346 IonicContact OD1-NE 2.83Å; D1258-R1346 IonicContact OD1-NH1 3.54Å; D1258-R1346 IonicContact OD1-NH2 2.8Å; D1258-R1346 PolarHBondContact OD1-NH2 2.69Å; D1258-R1346 VanDerWaalsContact OD2-CD 3.22Å; D1258-R1346 WeakPolarHBondContact OD2-CD 3.36Å; D1258-R1346 IonicContact OD2-CZ 3.61Å; D1258-R1346 IonicContact OD2-NE 3.16Å; D1258-R1346 PolarHBondContact OD2-NE 2.7Å; D1258-R1346 IonicContact OD2-NH1 3.56Å; D1258-R1346 PolarHBondContact OD2-NH1 2.96Å; D1258-R1346 IonicContact OD2-NH2 3.07Å; D1258-R1346 PolarHBondContact OD2-NH2 2.68Å |
| 1259 | I | 33 | Very low | 34.3 | Very low | 42 Ų | 42 | 82.8 Ų | 82.8 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.3 | -51.9 | 172.3 | -69 | 159.3 | 0 | 0 | 0 | 110.1 | A1255 F1256 S1261 S1262 Y1263 L1336 | A1255-I1259 WeakPolarHBondContact O-CD1 3.43Å; A1255-I1259 WeakPolarHBondContact O-CG1 3.44Å; A1255-I1259 PolarHBondContact O-N 2.75Å; F1256-I1259 PolarHBondContact O-N 3.33Å; I1259-S1261 VanDerWaalsContact C-N 3.26Å; I1259-S1261 PolarHBondContact O-N 3.24Å; I1259-S1262 PolarHBondContact O-N 2.75Å; I1259-S1262 PolarHBondContact O-OG 2.85Å; I1259-Y1263 HydrophobicContact CG2-CD2 3.86Å; I1259-Y1263 HydrophobicContact CG2-CE2 3.92Å; I1259-Y1263 WeakPolarHBondContact O-CD2 3.28Å; I1259-Y1263 PolarHBondContact O-N 2.88Å; I1259-L1336 HydrophobicContact CD1-CD1 3.47Å; I1259-L1336 VanDerWaalsContact CD1-CD1 3.47Å |
| 1260 | L | 34.4 | Very low | 33.5 | Very low | 76 Ų | 76 | 85.9 Ų | 85.9 | 40% | 0.398 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.9 | -42.8 | 175.6 | -72 | 174.8 | 0 | 0 | 0 | 111.6 | F1256 I1257 S1262 Y1263 S1264 | F1256-L1260 HydrophobicContact CD1-CD1 3.98Å; F1256-L1260 HydrophobicContact CE1-CD1 3.55Å; F1256-L1260 HydrophobicContact CE1-CG 4.27Å; F1256-L1260 HydrophobicContact CZ-CD1 4.02Å; F1256-L1260 HydrophobicContact CZ-CG 4.36Å; F1256-L1260 WeakPolarHBondContact O-CG 3.49Å; F1256-L1260 PolarHBondContact O-N 2.88Å; I1257-L1260 PolarHBondContact O-N 2.79Å; L1260-S1262 PolarHBondContact O-N 2.85Å; L1260-Y1263 PolarHBondContact O-N 2.95Å; L1260-S1264 WeakPolarHBondContact O-CB 3.42Å; L1260-S1264 PolarHBondContact O-N 2.86Å; L1260-S1264 PolarHBondContact O-OG 3.1Å |
| 1261 | S | 34.5 | Very low | 32.5 | Very low | 52 Ų | 52 | 86 Ų | 86 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -21.9 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | I1257 I1259 S1264 N1265 | I1257-S1261 WeakPolarHBondContact O-CB 3.5Å; I1257-S1261 PolarHBondContact O-N 2.72Å; I1257-S1261 PolarHBondContact O-OG 3.38Å; I1259-S1261 VanDerWaalsContact C-N 3.26Å; I1259-S1261 PolarHBondContact O-N 3.24Å; S1261-S1264 WeakPolarHBondContact CA-OG 3.49Å; S1261-S1264 PolarHBondContact O-OG 3.21Å; S1261-N1265 PolarHBondContact O-ND2 2.89Å |
| 1262 | S | 31.1 | Very low | 31.8 | Very low | 50 Ų | 50 | 91.5 Ų | 91.5 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -86.4 | -34.5 | 175.4 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | D1258 I1259 L1260 | D1258-S1262 PolarHBondContact O-N 2.78Å; I1259-S1262 PolarHBondContact O-N 2.75Å; I1259-S1262 PolarHBondContact O-OG 2.85Å; L1260-S1262 PolarHBondContact O-N 2.85Å |
| 1263 | Y | 29.1 | Very low | 30.8 | Very low | 142 Ų | 142 | 100 Ų | 100 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77.5 | -27.4 | 173.6 | -80.4 | -75 | 0 | 0 | 0 | 113.1 | I1259 L1260 N1265 T1266 | I1259-Y1263 HydrophobicContact CG2-CD2 3.86Å; I1259-Y1263 HydrophobicContact CG2-CE2 3.92Å; I1259-Y1263 WeakPolarHBondContact O-CD2 3.28Å; I1259-Y1263 PolarHBondContact O-N 2.88Å; L1260-Y1263 PolarHBondContact O-N 2.95Å; Y1263-N1265 PolarHBondContact O-N 3.45Å; Y1263-N1265 VanDerWaalsContact O-N 3.13Å; Y1263-T1266 PolarHBondContact O-N 3.37Å; Y1263-T1266 PolarHBondContact O-OG1 3Å; Y1263-T1266 VanDerWaalsContact O-OG1 3.11Å |
| 1264 | S | 28.2 | Very low | 30 | Very low | 86 Ų | 86 | 106.1 Ų | 106.1 | 60% | 0.601 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -1.3 | 174.7 | 67.5 | 0 | 0 | 0 | 0 | 114.5 | L1260 S1261 | L1260-S1264 WeakPolarHBondContact O-CB 3.42Å; L1260-S1264 PolarHBondContact O-N 2.86Å; L1260-S1264 PolarHBondContact O-OG 3.1Å; S1261-S1264 WeakPolarHBondContact CA-OG 3.49Å; S1261-S1264 PolarHBondContact O-OG 3.21Å |
| 1265 | N | 26.5 | Very low | 29.3 | Very low | 128 Ų | 128 | 107.9 Ų | 107.9 | 68% | 0.684 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 12.3 | 179.4 | -72.3 | -11.7 | 0 | 0 | 0 | 113 | S1261 Y1263 | S1261-N1265 PolarHBondContact O-ND2 2.89Å; Y1263-N1265 PolarHBondContact O-N 3.45Å; Y1263-N1265 VanDerWaalsContact O-N 3.13Å |
| 1266 | T | 23.2 | Very low | 28.5 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 56% | 0.558 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -85.2 | 116.5 | 162.3 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | Y1263 | Y1263-T1266 PolarHBondContact O-N 3.37Å; Y1263-T1266 PolarHBondContact O-OG1 3Å; Y1263-T1266 VanDerWaalsContact O-OG1 3.11Å |
| 1267 | D | 29.3 | Very low | 27.7 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 78% | 0.775 | 63% | 0.628 | S | S | * | * | trans | -54.3 | 146.8 | -165.4 | -55.8 | -86.5 | 0 | 0 | 0 | 115.1 | E1269 | D1267-E1269 PolarHBondContact O-N 3.35Š| ||
| 1268 | E | 26.1 | Very low | 27 | Very low | 202 Ų | 202 | 121.9 Ų | 121.9 | 94% | 0.944 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -72.7 | 38.2 | -176.3 | -61.5 | -171.2 | 131.3 | 0 | 0 | 114.8 | ||
| 1269 | E | 26 | Very low | 26.4 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 91% | 0.911 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -106.6 | 37.4 | 171.8 | -69.5 | -163.1 | 171.4 | 0 | 0 | 112.7 | D1267 | D1267-E1269 PolarHBondContact O-N 3.35Š|
| 1270 | S | 24.2 | Very low | 25.8 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -150.5 | 170.5 | 164.2 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1271 | V | 24.7 | Very low | 25.3 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 65% | 0.648 | 72% | 0.716 | S | S | * | * | trans | 66.7 | 73.3 | -176.3 | -163.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1272 | N | 25.5 | Very low | 24.8 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | -124.6 | 58.6 | 152 | -151.5 | -5.3 | 0 | 0 | 0 | 109.9 | ||||
| 1273 | Y | 21.9 | Very low | 24.4 | Very low | 216 Ų | 216 | 142.5 Ų | 142.5 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -110.2 | 104.3 | 177.7 | -91.1 | -77.9 | 0 | 0 | 0 | 110.1 | ||||
| 1274 | Q | 23.2 | Very low | 24.1 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -72.2 | 136.9 | 169.1 | -73.3 | -179.9 | -64.9 | 0 | 0 | 110.2 | N1276 | Q1274-N1276 PolarHBondContact O-N 2.85Š| ||
| 1275 | P | 24.3 | Very low | 24.1 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -81.2 | 101.8 | -171.4 | 31.3 | -34.9 | 0 | 0 | 0 | 111.9 | N1277 | P1275-N1277 PolarHBondContact O-N 2.91Š| ||
| 1276 | N | 21.4 | Very low | 24.1 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -74 | 103.7 | 161.7 | -104.4 | -11.3 | 0 | 0 | 0 | 109.2 | Q1274 N1278 | Q1274-N1276 PolarHBondContact O-N 2.85Å; N1276-N1278 PolarHBondContact O-N 3.29Å | ||
| 1277 | N | 22.1 | Very low | 24.4 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -62.3 | 120.7 | 169.9 | -73.7 | -38.8 | 0 | 0 | 0 | 110 | P1275 | P1275-N1277 PolarHBondContact O-N 2.91Š| ||
| 1278 | N | 23.3 | Very low | 24.2 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | 176.3 | 162.5 | 121.8 | -84.6 | -26.8 | 0 | 0 | 0 | 111.2 | N1276 | N1276-N1278 PolarHBondContact O-N 3.29Š| |||
| 1279 | N | 23.4 | Very low | 24.4 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 66 | 61.2 | 171.7 | -55.9 | -12.7 | 0 | 0 | 0 | 116.1 | S1281 | N1279-S1281 PolarHBondContact O-N 2.82Š| ||
| 1280 | L | 19.6 | Very low | 24.6 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -76.9 | 91.5 | 165.7 | -173.4 | 76.3 | 0 | 0 | 0 | 110.9 | I1283 | L1280-I1283 HydrophobicContact CD1-CD1 4.16Š| ||
| 1281 | S | 22.9 | Very low | 24.9 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | -148.3 | 148.1 | 168.3 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | N1279 | N1279-S1281 PolarHBondContact O-N 2.82Š| ||
| 1282 | N | 24.2 | Very low | 25.2 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 69% | 0.69 | S | S | * | * | trans | 67.5 | 69 | -173.6 | -54.8 | -8.5 | 0 | 0 | 0 | 114 | ||||
| 1283 | I | 23 | Very low | 25.6 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 59% | 0.585 | 67% | 0.668 | S | S | * | * | trans | -90.5 | 115.2 | 155.3 | -63.6 | 173 | 0 | 0 | 0 | 107.3 | L1280 | L1280-I1283 HydrophobicContact CD1-CD1 4.16Š| ||
| 1284 | D | 23.7 | Very low | 26.1 | Very low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 66% | 0.657 | S | S | * | * | trans | -142.1 | 137.6 | 156.4 | -110.3 | -37.3 | 0 | 0 | 0 | 107.7 | ||||
| 1285 | N | 27 | Very low | 26.6 | Very low | 142 Ų | 142 | 116.6 Ų | 116.6 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 56.3 | 67.5 | 178.1 | -57.8 | -44.4 | 0 | 0 | 0 | 117.5 | ||
| 1286 | D | 27.1 | Very low | 27.1 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | -155.8 | 123.5 | 129.7 | -109 | -36.2 | 0 | 0 | 0 | 112.5 | N1290 | D1286-N1290 PolarHBondContact O-ND2 3.03Š| |||
| 1287 | N | 28.8 | Very low | 27.8 | Very low | 93 Ų | 93 | 114.8 Ų | 114.8 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | trans | -105.8 | -18.2 | -166.6 | -95.9 | -58.6 | 0 | 0 | 0 | 114.8 | ||||
| 1288 | T | 26.5 | Very low | 28.3 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 64% | 0.638 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76 | -51.3 | -176.5 | 38.6 | 0 | 0 | 0 | 0 | 112.3 | N1290 I1291 Q1292 | T1288-N1290 PolarHBondContact O-N 2.87Å; T1288-I1291 PolarHBondContact O-N 2.94Å; T1288-Q1292 PolarHBondContact O-N 3.44Å |
| 1289 | E | 29.3 | Very low | 28.6 | Very low | 141 Ų | 141 | 111.3 Ų | 111.3 | 66% | 0.659 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.1 | -31 | 177.3 | -61.4 | -164.4 | 153 | 0 | 0 | 112.4 | I1291 Q1292 S1293 | E1289-I1291 VanDerWaalsContact C-N 3.28Å; E1289-I1291 PolarHBondContact O-N 3.07Å; E1289-Q1292 PolarHBondContact O-N 2.89Å; E1289-S1293 WeakPolarHBondContact O-CB 3.38Å; E1289-S1293 PolarHBondContact O-N 2.95Å; E1289-S1293 PolarHBondContact O-OG 2.84Å |
| 1290 | N | 30.1 | Very low | 29.1 | Very low | 62 Ų | 62 | 112.5 Ų | 112.5 | 33% | 0.332 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.7 | -27 | 175 | -89.7 | -66 | 0 | 0 | 0 | 113.3 | D1286 T1288 S1293 L1294 | D1286-N1290 PolarHBondContact O-ND2 3.03Å; T1288-N1290 PolarHBondContact O-N 2.87Å; N1290-S1293 WeakPolarHBondContact CA-OG 3.37Å; N1290-S1293 PolarHBondContact O-OG 2.77Å; N1290-L1294 WeakPolarHBondContact O-CB 3.44Å; N1290-L1294 PolarHBondContact O-N 2.91Å |
| 1291 | I | 30.9 | Very low | 29.8 | Very low | 55 Ų | 55 | 109.3 Ų | 109.3 | 28% | 0.282 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -77.2 | -47 | 174.7 | -64.5 | 172 | 0 | 0 | 0 | 109.9 | T1288 E1289 L1294 I1295 | T1288-I1291 PolarHBondContact O-N 2.94Å; E1289-I1291 VanDerWaalsContact C-N 3.28Å; E1289-I1291 PolarHBondContact O-N 3.07Å; I1291-L1294 PolarHBondContact O-N 2.78Å; I1291-I1295 HydrophobicContact CG2-CD1 3.91Å; I1291-I1295 WeakPolarHBondContact O-CG1 3.38Å; I1291-I1295 PolarHBondContact O-N 2.91Å |
| 1292 | Q | 31.1 | Very low | 29.9 | Very low | 101 Ų | 101 | 107.8 Ų | 107.8 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -43.3 | -179.6 | -166.4 | 174.8 | 5.9 | 0 | 0 | 111.7 | T1288 E1289 I1295 L1296 | T1288-Q1292 PolarHBondContact O-N 3.44Å; E1289-Q1292 PolarHBondContact O-N 2.89Å; Q1292-I1295 PolarHBondContact O-N 2.88Å; Q1292-L1296 HydrophobicContact CG-CD1 4.24Å; Q1292-L1296 WeakPolarHBondContact O-CB 3.34Å; Q1292-L1296 WeakPolarHBondContact O-CG 3.15Å; Q1292-L1296 PolarHBondContact O-N 3.28Å |
| 1293 | S | 33.8 | Very low | 30 | Very low | 56 Ų | 56 | 105.3 Ų | 105.3 | 39% | 0.392 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.8 | -32.3 | 176.5 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | E1289 N1290 K1297 | E1289-S1293 WeakPolarHBondContact O-CB 3.38Å; E1289-S1293 PolarHBondContact O-N 2.95Å; E1289-S1293 PolarHBondContact O-OG 2.84Å; N1290-S1293 WeakPolarHBondContact CA-OG 3.37Å; N1290-S1293 PolarHBondContact O-OG 2.77Å; S1293-K1297 WeakPolarHBondContact O-CB 3.23Å; S1293-K1297 PolarHBondContact O-N 3.11Å |
| 1294 | L | 33.5 | Very low | 30.2 | Very low | 119 Ų | 119 | 106 Ų | 106 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.7 | -45.2 | 173.3 | -167.7 | 89.2 | 0 | 0 | 0 | 111.2 | N1290 I1291 K1297 Y1298 | N1290-L1294 WeakPolarHBondContact O-CB 3.44Å; N1290-L1294 PolarHBondContact O-N 2.91Å; I1291-L1294 PolarHBondContact O-N 2.78Å; L1294-K1297 PolarHBondContact O-N 3.31Å; L1294-Y1298 WeakPolarHBondContact O-CB 3.31Å; L1294-Y1298 PolarHBondContact O-N 3.03Å |
| 1295 | I | 33.3 | Very low | 30.6 | Very low | 66 Ų | 66 | 106.2 Ų | 106.2 | 34% | 0.338 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 176.2 | -67.5 | 168.7 | 0 | 0 | 0 | 110.1 | I1291 Q1292 K1297 Y1298 L1299 | I1291-I1295 HydrophobicContact CG2-CD1 3.91Å; I1291-I1295 WeakPolarHBondContact O-CG1 3.38Å; I1291-I1295 PolarHBondContact O-N 2.91Å; Q1292-I1295 PolarHBondContact O-N 2.88Å; I1295-K1297 PolarHBondContact O-N 2.74Å; I1295-Y1298 PolarHBondContact O-N 3.48Å; I1295-L1299 HydrophobicContact CG2-CD1 3.97Å; I1295-L1299 WeakPolarHBondContact O-CG 3.43Å; I1295-L1299 PolarHBondContact O-N 3.42Å |
| 1296 | L | 34.7 | Very low | 30.6 | Very low | 79 Ų | 79 | 108.6 Ų | 108.6 | 41% | 0.414 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 176.9 | -81.5 | 164.6 | 0 | 0 | 0 | 112.8 | Q1292 Y1298 L1299 Y1300 | Q1292-L1296 HydrophobicContact CG-CD1 4.24Å; Q1292-L1296 WeakPolarHBondContact O-CB 3.34Å; Q1292-L1296 WeakPolarHBondContact O-CG 3.15Å; Q1292-L1296 PolarHBondContact O-N 3.28Å; L1296-Y1298 VanDerWaalsContact C-N 3.31Å; L1296-Y1298 PolarHBondContact O-N 3.19Å; L1296-L1299 PolarHBondContact O-N 3.17Å; L1296-Y1300 WeakPolarHBondContact O-CB 3.28Å; L1296-Y1300 PolarHBondContact O-N 3.28Å |
| 1297 | K | 36.3 | Very low | 30.5 | Very low | 166 Ų | 166 | 111.9 Ų | 111.9 | 72% | 0.722 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.4 | -40.5 | 173.1 | -97.5 | -179.8 | 172.8 | 171.4 | 0 | 112.1 | S1293 L1294 I1295 S1301 | S1293-K1297 WeakPolarHBondContact O-CB 3.23Å; S1293-K1297 PolarHBondContact O-N 3.11Å; L1294-K1297 PolarHBondContact O-N 3.31Å; I1295-K1297 PolarHBondContact O-N 2.74Å; K1297-S1301 VanDerWaalsContact O-CB 3.25Å; K1297-S1301 WeakPolarHBondContact O-CB 3.28Å; K1297-S1301 PolarHBondContact O-N 3.17Å |
| 1298 | Y | 31.8 | Very low | 30.6 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 45% | 0.451 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.4 | -33.5 | -178.4 | -153.6 | -92.2 | 0 | 0 | 0 | 112.8 | L1294 I1295 L1296 N1302 I1318 V1322 | L1294-Y1298 WeakPolarHBondContact O-CB 3.31Å; L1294-Y1298 PolarHBondContact O-N 3.03Å; I1295-Y1298 PolarHBondContact O-N 3.48Å; L1296-Y1298 VanDerWaalsContact C-N 3.31Å; L1296-Y1298 PolarHBondContact O-N 3.19Å; Y1298-N1302 PolarHBondContact O-ND2 2.86Å; Y1298-I1318 HydrophobicContact CE1-CG2 3.88Å; Y1298-V1322 HydrophobicContact CE1-CG2 4.44Å |
| 1299 | L | 30.2 | Very low | 30.7 | Very low | 97 Ų | 97 | 118.7 Ų | 118.7 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.5 | -55.5 | 170.4 | -69.7 | 168.1 | 0 | 0 | 0 | 110.9 | I1295 L1296 S1301 N1302 N1303 | I1295-L1299 HydrophobicContact CG2-CD1 3.97Å; I1295-L1299 WeakPolarHBondContact O-CG 3.43Å; I1295-L1299 PolarHBondContact O-N 3.42Å; L1296-L1299 PolarHBondContact O-N 3.17Å; L1299-S1301 VanDerWaalsContact C-N 3.29Å; L1299-S1301 PolarHBondContact O-N 3.2Å; L1299-N1302 PolarHBondContact O-N 3.18Å; L1299-N1303 PolarHBondContact O-N 3.36Å; L1299-N1303 PolarHBondContact O-OD1 2.72Å |
| 1300 | Y | 33.6 | Very low | 30.4 | Very low | 177 Ų | 177 | 120.1 Ų | 120.1 | 69% | 0.694 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.9 | -38.6 | -179 | -98.8 | -82.6 | 0 | 0 | 0 | 113.3 | L1296 N1302 | L1296-Y1300 WeakPolarHBondContact O-CB 3.28Å; L1296-Y1300 PolarHBondContact O-N 3.28Å; Y1300-N1302 PolarHBondContact O-N 3.44Å |
| 1301 | S | 33.4 | Very low | 30.4 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -9.9 | 178.6 | -169.7 | 0 | 0 | 0 | 0 | 114.2 | K1297 L1299 | K1297-S1301 VanDerWaalsContact O-CB 3.25Å; K1297-S1301 WeakPolarHBondContact O-CB 3.28Å; K1297-S1301 PolarHBondContact O-N 3.17Å; L1299-S1301 VanDerWaalsContact C-N 3.29Å; L1299-S1301 PolarHBondContact O-N 3.2Å |
| 1302 | N | 26.4 | Very low | 30.3 | Very low | 60 Ų | 60 | 126.2 Ų | 126.2 | 32% | 0.321 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.2 | 8.1 | -175 | -74.9 | -61.2 | 0 | 0 | 0 | 114.4 | Y1298 L1299 Y1300 N1304 | Y1298-N1302 PolarHBondContact O-ND2 2.86Å; L1299-N1302 PolarHBondContact O-N 3.18Å; Y1300-N1302 PolarHBondContact O-N 3.44Å; N1302-N1304 PolarHBondContact O-N 2.97Å |
| 1303 | N | 25.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 60% | 0.599 | 62% | 0.62 | S | S | * | * | trans | -69.9 | 35.8 | 178.2 | -80 | -12.9 | 0 | 0 | 0 | 114.6 | L1299 | L1299-N1303 PolarHBondContact O-N 3.36Å; L1299-N1303 PolarHBondContact O-OD1 2.72Å | ||
| 1304 | N | 27.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 68% | 0.684 | 63% | 0.626 | S | S | * | * | trans | -95.8 | 119.6 | 167.6 | -75.2 | -61.1 | 0 | 0 | 0 | 108.9 | N1302 K1306 | N1302-N1304 PolarHBondContact O-N 2.97Å; N1304-K1306 PolarHBondContact O-N 3.26Å | ||
| 1305 | D | 31 | Very low | 29.7 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 81% | 0.813 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -58 | 8.5 | -165.4 | -73.4 | -72.3 | 0 | 0 | 0 | 119 | W1307 | D1305-W1307 PolarHBondContact O-N 3.12Å; D1305-W1307 VanDerWaalsContact O-N 3.11Å |
| 1306 | K | 28.3 | Very low | 29.8 | Very low | 192 Ų | 192 | 123.8 Ų | 123.8 | 84% | 0.835 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 10.2 | -178 | -69.8 | -177.2 | 175.7 | 175.4 | 0 | 115.1 | N1304 K1308 | N1304-K1306 PolarHBondContact O-N 3.26Å; K1306-K1308 VanDerWaalsContact C-N 3.34Å; K1306-K1308 PolarHBondContact O-N 3.11Å |
| 1307 | W | 24.4 | Very low | 30.1 | Very low | 183 Ų | 183 | 122.5 Ų | 122.5 | 69% | 0.693 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -12.5 | -177.6 | -90.2 | 60.3 | 0 | 0 | 0 | 115.4 | D1305 | D1305-W1307 PolarHBondContact O-N 3.12Å; D1305-W1307 VanDerWaalsContact O-N 3.11Å |
| 1308 | K | 30.2 | Very low | 30.1 | Very low | 185 Ų | 185 | 117.6 Ų | 117.6 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -81.4 | -29.7 | -172.2 | -74.6 | 178.9 | 178.5 | 167.8 | 0 | 115.5 | K1306 | K1306-K1308 VanDerWaalsContact C-N 3.34Å; K1306-K1308 PolarHBondContact O-N 3.11Å |
| 1309 | D | 28.9 | Very low | 30.2 | Very low | 154 Ų | 154 | 113.2 Ų | 113.2 | 82% | 0.824 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -116.7 | 4.6 | -162.4 | -60.2 | -35.6 | 0 | 0 | 0 | 115.7 | ||
| 1310 | K | 24.7 | Very low | 30.7 | Very low | 171 Ų | 171 | 111 Ų | 111 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -137.7 | 105.8 | -178.8 | -69.6 | -160.7 | 174 | -165.8 | 0 | 116.2 | ||
| 1311 | N | 28.6 | Very low | 31 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | trans | 56.2 | 104.8 | 154.1 | -62.8 | 46.2 | 0 | 0 | 0 | 117.9 | E1313 N1314 | N1311-E1313 PolarHBondContact ND2-OE2 2.83Å; N1311-E1313 PolarHBondContact O-N 3.46Å; N1311-E1313 VanDerWaalsContact O-N 3.16Å; N1311-N1314 PolarHBondContact O-N 3.14Å | ||
| 1312 | L | 28.9 | Very low | 31.2 | Very low | 151 Ų | 151 | 106.7 Ų | 106.7 | 79% | 0.791 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -51.1 | -32.7 | 168.2 | -176.2 | 63.8 | 0 | 0 | 0 | 113.3 | N1314 S1315 S1316 | L1312-N1314 VanDerWaalsContact C-N 3.29Å; L1312-N1314 PolarHBondContact O-N 3.43Å; L1312-S1315 PolarHBondContact O-N 3.09Å; L1312-S1315 PolarHBondContact O-OG 2.89Å; L1312-S1316 PolarHBondContact O-N 3.33Å |
| 1313 | E | 28 | Very low | 31.8 | Very low | 132 Ų | 132 | 104.5 Ų | 104.5 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -54.2 | -42.6 | 178.8 | -59.5 | 160.3 | 128.7 | 0 | 0 | 112.7 | N1311 S1315 S1316 A1317 | N1311-E1313 PolarHBondContact ND2-OE2 2.83Å; N1311-E1313 PolarHBondContact O-N 3.46Å; N1311-E1313 VanDerWaalsContact O-N 3.16Å; E1313-S1315 VanDerWaalsContact C-N 3.33Å; E1313-S1315 PolarHBondContact O-N 3.18Å; E1313-S1316 WeakPolarHBondContact O-CB 3.27Å; E1313-S1316 PolarHBondContact O-N 2.86Å; E1313-S1316 PolarHBondContact O-OG 2.58Å; E1313-A1317 PolarHBondContact O-N 2.99Å |
| 1314 | N | 29.4 | Very low | 32.6 | Very low | 98 Ų | 98 | 102.7 Ų | 102.7 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | -177.9 | -77.2 | -34 | 0 | 0 | 0 | 112.2 | N1311 L1312 S1316 A1317 I1318 | N1311-N1314 PolarHBondContact O-N 3.14Å; L1312-N1314 VanDerWaalsContact C-N 3.29Å; L1312-N1314 PolarHBondContact O-N 3.43Å; N1314-S1316 VanDerWaalsContact C-N 3.32Å; N1314-S1316 PolarHBondContact O-N 2.89Å; N1314-A1317 PolarHBondContact O-N 3.36Å; N1314-I1318 WeakPolarHBondContact O-CG1 3.25Å; N1314-I1318 PolarHBondContact O-N 2.85Å; N1314-I1318 VanDerWaalsContact O-N 3.11Å |
| 1315 | S | 29.3 | Very low | 33.1 | Very low | 39 Ų | 39 | 101.4 Ų | 101.4 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 176 | 75.7 | 0 | 0 | 0 | 0 | 110.5 | L1312 E1313 A1317 I1318 T1319 | L1312-S1315 PolarHBondContact O-N 3.09Å; L1312-S1315 PolarHBondContact O-OG 2.89Å; E1313-S1315 VanDerWaalsContact C-N 3.33Å; E1313-S1315 PolarHBondContact O-N 3.18Å; S1315-A1317 VanDerWaalsContact C-N 3.27Å; S1315-A1317 PolarHBondContact O-N 2.89Å; S1315-I1318 PolarHBondContact O-N 3.48Å; S1315-T1319 WeakPolarHBondContact O-CB 3.4Å; S1315-T1319 PolarHBondContact O-N 3.12Å; S1315-T1319 PolarHBondContact O-OG1 3.32Å; S1315-T1319 VanDerWaalsContact O-OG1 3.11Å |
| 1316 | S | 35.7 | Very low | 33.2 | Very low | 21 Ų | 21 | 96.7 Ų | 96.7 | 15% | 0.147 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.6 | -34.9 | 177.1 | 88.4 | 0 | 0 | 0 | 0 | 113.4 | L1312 E1313 N1314 R1320 | L1312-S1316 PolarHBondContact O-N 3.33Å; E1313-S1316 WeakPolarHBondContact O-CB 3.27Å; E1313-S1316 PolarHBondContact O-N 2.86Å; E1313-S1316 PolarHBondContact O-OG 2.58Å; N1314-S1316 VanDerWaalsContact C-N 3.32Å; N1314-S1316 PolarHBondContact O-N 2.89Å; S1316-R1320 WeakPolarHBondContact O-CB 3.5Å; S1316-R1320 WeakPolarHBondContact O-CG 3.18Å; S1316-R1320 PolarHBondContact O-N 3.45Å; S1316-R1320 VanDerWaalsContact O-N 3.12Å; S1316-R1320 PolarHBondContact O-NE 3.43Å; S1316-R1320 VanDerWaalsContact O-NE 3.11Å; S1316-R1320 PolarHBondContact OG-NH2 3.14Å |
| 1317 | A | 39.3 | Very low | 33.5 | Very low | 52 Ų | 52 | 88.9 Ų | 88.9 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -76.4 | -39.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1313 N1314 S1315 K1321 | E1313-A1317 PolarHBondContact O-N 2.99Å; N1314-A1317 PolarHBondContact O-N 3.36Å; S1315-A1317 VanDerWaalsContact C-N 3.27Å; S1315-A1317 PolarHBondContact O-N 2.89Å; A1317-K1321 WeakPolarHBondContact O-CB 3.35Å; A1317-K1321 PolarHBondContact O-N 3.38Å |
| 1318 | I | 36.4 | Very low | 34.1 | Very low | 64 Ų | 64 | 84.9 Ų | 84.9 | 33% | 0.328 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 175.9 | -66.5 | 166.9 | 0 | 0 | 0 | 110.3 | Y1298 N1314 S1315 R1320 K1321 V1322 | Y1298-I1318 HydrophobicContact CE1-CG2 3.88Å; N1314-I1318 WeakPolarHBondContact O-CG1 3.25Å; N1314-I1318 PolarHBondContact O-N 2.85Å; N1314-I1318 VanDerWaalsContact O-N 3.11Å; S1315-I1318 PolarHBondContact O-N 3.48Å; I1318-R1320 PolarHBondContact O-N 3.45Å; I1318-K1321 PolarHBondContact O-N 2.88Å; I1318-V1322 WeakPolarHBondContact O-CG2 3.24Å; I1318-V1322 PolarHBondContact O-N 3.02Å |
| 1319 | T | 35.7 | Very low | 34.3 | Very low | 23 Ų | 23 | 82.6 Ų | 82.6 | 14% | 0.141 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | F1256 S1315 K1321 V1322 L1323 | F1256-T1319 HydrophobicContact CG-CG2 4.37Å; S1315-T1319 WeakPolarHBondContact O-CB 3.4Å; S1315-T1319 PolarHBondContact O-N 3.12Å; S1315-T1319 PolarHBondContact O-OG1 3.32Å; S1315-T1319 VanDerWaalsContact O-OG1 3.11Å; T1319-K1321 PolarHBondContact O-N 3.44Å; T1319-V1322 PolarHBondContact O-N 3.11Å; T1319-L1323 HydrophobicContact CG2-CD1 3.79Å; T1319-L1323 PolarHBondContact O-N 3.22Å |
| 1320 | R | 39.3 | Very low | 34.5 | Very low | 49 Ų | 49 | 79.9 Ų | 79.9 | 19% | 0.185 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 172.5 | -83 | -179.1 | -80.4 | -174 | -5.5 | 112.2 | D1064 S1316 I1318 V1322 L1323 Y1324 | D1064-R1320 IonicContact OD2-NH1 2.67Å; S1316-R1320 WeakPolarHBondContact O-CB 3.5Å; S1316-R1320 WeakPolarHBondContact O-CG 3.18Å; S1316-R1320 PolarHBondContact O-N 3.45Å; S1316-R1320 VanDerWaalsContact O-N 3.12Å; S1316-R1320 PolarHBondContact O-NE 3.43Å; S1316-R1320 VanDerWaalsContact O-NE 3.11Å; S1316-R1320 PolarHBondContact OG-NH2 3.14Å; I1318-R1320 PolarHBondContact O-N 3.45Å; R1320-V1322 PolarHBondContact O-N 3.15Å; R1320-L1323 PolarHBondContact O-N 3.02Å; R1320-L1323 VanDerWaalsContact O-N 3.13Å; R1320-Y1324 HydrophobicContact CB-CE2 4.15Å; R1320-Y1324 VanDerWaalsContact O-CD2 3.31Å; R1320-Y1324 WeakPolarHBondContact O-CD2 3.36Å; R1320-Y1324 PolarHBondContact O-N 2.88Å |
| 1321 | K | 41 | Very low | 35 | Very low | 141 Ų | 141 | 75.9 Ų | 75.9 | 61% | 0.613 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.6 | -38 | 178.9 | -169.4 | 170.1 | -174.6 | 172.4 | 0 | 113.2 | A1317 I1318 T1319 L1323 N1325 | A1317-K1321 WeakPolarHBondContact O-CB 3.35Å; A1317-K1321 PolarHBondContact O-N 3.38Å; I1318-K1321 PolarHBondContact O-N 2.88Å; T1319-K1321 PolarHBondContact O-N 3.44Å; K1321-L1323 VanDerWaalsContact C-N 3.35Å; K1321-N1325 VanDerWaalsContact O-CG 3.27Å; K1321-N1325 PolarHBondContact O-N 3.26Å; K1321-N1325 PolarHBondContact O-ND2 3.32Å |
| 1322 | V | 36.3 | Very low | 35.2 | Very low | 38 Ų | 38 | 72.5 Ų | 72.5 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | Y1298 I1318 T1319 R1320 N1325 L1326 | Y1298-V1322 HydrophobicContact CE1-CG2 4.44Å; I1318-V1322 WeakPolarHBondContact O-CG2 3.24Å; I1318-V1322 PolarHBondContact O-N 3.02Å; T1319-V1322 PolarHBondContact O-N 3.11Å; R1320-V1322 PolarHBondContact O-N 3.15Å; V1322-N1325 WeakPolarHBondContact O-CB 3.19Å; V1322-N1325 PolarHBondContact O-N 3.06Å; V1322-L1326 HydrophobicContact CG1-CD1 4.24Å; V1322-L1326 PolarHBondContact O-N 3.43Å; V1322-L1326 VanDerWaalsContact O-N 3.12Å |
| 1323 | L | 38.6 | Very low | 35.5 | Very low | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -79.4 | -31 | -176.6 | -76.5 | 154.6 | 0 | 0 | 0 | 114.1 | W1252 T1319 R1320 K1321 N1325 L1326 G1327 | W1252-L1323 HydrophobicContact CE3-CD1 3.71Å; W1252-L1323 HydrophobicContact CH2-CB 4.46Å; W1252-L1323 HydrophobicContact CZ3-CB 4.05Å; W1252-L1323 HydrophobicContact CZ3-CD1 3.88Å; W1252-L1323 HydrophobicContact CZ3-CD2 4.16Å; W1252-L1323 HydrophobicContact CZ3-CG 4.24Å; T1319-L1323 HydrophobicContact CG2-CD1 3.79Å; T1319-L1323 PolarHBondContact O-N 3.22Å; R1320-L1323 PolarHBondContact O-N 3.02Å; R1320-L1323 VanDerWaalsContact O-N 3.13Å; K1321-L1323 VanDerWaalsContact C-N 3.35Å; L1323-N1325 VanDerWaalsContact C-N 3.29Å; L1323-N1325 PolarHBondContact O-N 2.99Å; L1323-L1326 HydrophobicContact CD2-CD1 3.92Å; L1323-L1326 WeakPolarHBondContact O-CB 3.24Å; L1323-L1326 PolarHBondContact O-N 2.89Å; L1323-G1327 PolarHBondContact O-N 3.01Å |
| 1324 | Y | 42.7 | Very low | 35.9 | Very low | 74 Ų | 74 | 60.4 Ų | 60.4 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 165.9 | -64.1 | -44.4 | 0 | 0 | 0 | 111.5 | D1064 R1320 L1326 G1327 S1328 | D1064-Y1324 WeakPolarHBondContact OD1-CE1 3.42Å; D1064-Y1324 PolarHBondContact OD1-OH 2.82Å; R1320-Y1324 HydrophobicContact CB-CE2 4.15Å; R1320-Y1324 VanDerWaalsContact O-CD2 3.31Å; R1320-Y1324 WeakPolarHBondContact O-CD2 3.36Å; R1320-Y1324 PolarHBondContact O-N 2.88Å; Y1324-L1326 VanDerWaalsContact C-N 3.34Å; Y1324-L1326 PolarHBondContact O-N 2.89Å; Y1324-G1327 WeakPolarHBondContact O-CA 3.49Å; Y1324-G1327 PolarHBondContact O-N 3.5Å; Y1324-G1327 VanDerWaalsContact O-N 3.1Å; Y1324-S1328 PolarHBondContact O-N 2.96Å; Y1324-S1328 VanDerWaalsContact O-N 3.16Å |
| 1325 | N | 37.5 | Very low | 36.1 | Very low | 101 Ų | 101 | 64.8 Ų | 64.8 | 54% | 0.54 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.3 | -73 | -19.6 | 0 | 0 | 0 | 111.8 | K1321 V1322 L1323 S1328 | K1321-N1325 VanDerWaalsContact O-CG 3.27Å; K1321-N1325 PolarHBondContact O-N 3.26Å; K1321-N1325 PolarHBondContact O-ND2 3.32Å; V1322-N1325 WeakPolarHBondContact O-CB 3.19Å; V1322-N1325 PolarHBondContact O-N 3.06Å; L1323-N1325 VanDerWaalsContact C-N 3.29Å; L1323-N1325 PolarHBondContact O-N 2.99Å; N1325-S1328 PolarHBondContact O-N 2.95Å; N1325-S1328 PolarHBondContact O-OG 2.84Å |
| 1326 | L | 33.7 | Very low | 36.4 | Very low | 52 Ų | 52 | 64.1 Ų | 64.1 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 169 | -85.6 | 141.8 | 0 | 0 | 0 | 112 | V1322 L1323 Y1324 S1328 R1329 S1332 | V1322-L1326 HydrophobicContact CG1-CD1 4.24Å; V1322-L1326 PolarHBondContact O-N 3.43Å; V1322-L1326 VanDerWaalsContact O-N 3.12Å; L1323-L1326 HydrophobicContact CD2-CD1 3.92Å; L1323-L1326 WeakPolarHBondContact O-CB 3.24Å; L1323-L1326 PolarHBondContact O-N 2.89Å; Y1324-L1326 VanDerWaalsContact C-N 3.34Å; Y1324-L1326 PolarHBondContact O-N 2.89Å; L1326-S1328 PolarHBondContact O-N 2.98Å; L1326-R1329 CarbonylContact O-C 3.55Å; L1326-R1329 WeakPolarHBondContact O-CA 3.23Å; L1326-R1329 PolarHBondContact O-N 3.15Å; L1326-S1332 PolarHBondContact O-OG 2.92Å |
| 1327 | G | 34 | Very low | 36.5 | Very low | 28 Ų | 28 | 65.1 Ų | 65.1 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.5 | -31.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1323 Y1324 R1329 | L1323-G1327 PolarHBondContact O-N 3.01Å; Y1324-G1327 WeakPolarHBondContact O-CA 3.49Å; Y1324-G1327 PolarHBondContact O-N 3.5Å; Y1324-G1327 VanDerWaalsContact O-N 3.1Å; G1327-R1329 PolarHBondContact O-N 2.88Å |
| 1328 | S | 38.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 67.9 Ų | 67.9 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -12.8 | 173.2 | 72.1 | 0 | 0 | 0 | 0 | 114.2 | Y1324 N1325 L1326 | Y1324-S1328 PolarHBondContact O-N 2.96Å; Y1324-S1328 VanDerWaalsContact O-N 3.16Å; N1325-S1328 PolarHBondContact O-N 2.95Å; N1325-S1328 PolarHBondContact O-OG 2.84Å; L1326-S1328 PolarHBondContact O-N 2.98Å |
| 1329 | R | 33.5 | Very low | 36.2 | Very low | 137 Ų | 137 | 68 Ų | 68 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -108.8 | 79.1 | 176.2 | -65.3 | -172.6 | 174.8 | -150.8 | -1.7 | 110.2 | L1326 G1327 S1331 S1332 | L1326-R1329 CarbonylContact O-C 3.55Å; L1326-R1329 WeakPolarHBondContact O-CA 3.23Å; L1326-R1329 PolarHBondContact O-N 3.15Å; G1327-R1329 PolarHBondContact O-N 2.88Å; R1329-S1331 PolarHBondContact O-N 3.15Å; R1329-S1332 PolarHBondContact O-N 3.48Å; R1329-S1332 PolarHBondContact O-OG 3.27Å |
| 1330 | S | 33.3 | Very low | 36 | Very low | 98 Ų | 98 | 68.6 Ų | 68.6 | 69% | 0.685 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -47.5 | -33.9 | -172.1 | 55.4 | 0 | 0 | 0 | 0 | 115.9 | S1332 I1333 | S1330-S1332 PolarHBondContact O-N 2.68Å; S1330-I1333 PolarHBondContact O-N 2.85Å |
| 1331 | S | 35.7 | Very low | 35.7 | Very low | 87 Ų | 87 | 71.1 Ų | 71.1 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.2 | -24.4 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | R1329 | R1329-S1331 PolarHBondContact O-N 3.15Å |
| 1332 | S | 33.7 | Very low | 35.3 | Very low | 23 Ų | 23 | 68.6 Ų | 68.6 | 16% | 0.161 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -81.8 | -26.6 | -177.8 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | L1326 R1329 S1330 G1334 | L1326-S1332 PolarHBondContact O-OG 2.92Å; R1329-S1332 PolarHBondContact O-N 3.48Å; R1329-S1332 PolarHBondContact O-OG 3.27Å; S1330-S1332 PolarHBondContact O-N 2.68Å; S1332-G1334 VanDerWaalsContact C-N 3.33Å; S1332-G1334 PolarHBondContact O-N 3.35Å |
| 1333 | I | 34.2 | Very low | 35 | Very low | 16 Ų | 16 | 70.2 Ų | 70.2 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -74.9 | -21.9 | -168.3 | -142.4 | 74 | 0 | 0 | 0 | 113.2 | F1067 T1075 S1330 L1336 W1337 | F1067-I1333 HydrophobicContact CZ-CD1 4.23Å; T1075-I1333 HydrophobicContact CG2-CG2 3.47Å; T1075-I1333 VanDerWaalsContact CG2-CG2 3.47Å; S1330-I1333 PolarHBondContact O-N 2.85Å; I1333-L1336 HydrophobicContact CD1-CD2 3.83Å; I1333-L1336 HydrophobicContact CG1-CD2 4.38Å; I1333-L1336 WeakPolarHBondContact O-CB 3.14Å; I1333-L1336 PolarHBondContact O-N 3.26Å; I1333-W1337 VanDerWaalsContact O-CD1 3.29Å; I1333-W1337 PolarHBondContact O-N 3.11Å |
| 1334 | G | 35.3 | Very low | 34.7 | Very low | 14 Ų | 14 | 71.7 Ų | 71.7 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | S1332 W1337 H1338 | S1332-G1334 VanDerWaalsContact C-N 3.33Å; S1332-G1334 PolarHBondContact O-N 3.35Å; G1334-W1337 PolarHBondContact O-N 3.32Å; G1334-H1338 WeakPolarHBondContact O-CB 3.36Å; G1334-H1338 PolarHBondContact O-N 3.23Å |
| 1335 | Y | 35.1 | Very low | 34.1 | Very low | 190 Ų | 190 | 79.4 Ų | 79.4 | 75% | 0.745 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.6 | -38 | 178.5 | -62.1 | -78.2 | 0 | 0 | 0 | 112.2 | W1337 H1338 Y1339 | Y1335-W1337 PolarHBondContact O-N 2.83Å; Y1335-H1338 PolarHBondContact O-N 3.13Å; Y1335-Y1339 WeakPolarHBondContact O-CB 3.29Å; Y1335-Y1339 PolarHBondContact O-N 2.82Å |
| 1336 | L | 34.3 | Very low | 34.1 | Very low | 25 Ų | 25 | 80.1 Ų | 80.1 | 13% | 0.131 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.4 | -47.4 | 174.8 | -176.7 | 72 | 0 | 0 | 0 | 111.5 | I1259 I1333 Y1339 L1340 | I1259-L1336 HydrophobicContact CD1-CD1 3.47Å; I1259-L1336 VanDerWaalsContact CD1-CD1 3.47Å; I1333-L1336 HydrophobicContact CD1-CD2 3.83Å; I1333-L1336 HydrophobicContact CG1-CD2 4.38Å; I1333-L1336 WeakPolarHBondContact O-CB 3.14Å; I1333-L1336 PolarHBondContact O-N 3.26Å; L1336-Y1339 WeakPolarHBondContact O-CB 3.37Å; L1336-Y1339 PolarHBondContact O-N 3.39Å; L1336-L1340 HydrophobicContact CG-CD1 4.22Å; L1336-L1340 WeakPolarHBondContact O-CG 3.36Å; L1336-L1340 PolarHBondContact O-N 2.88Å |
| 1337 | W | 39.6 | Very low | 34.2 | Very low | 41 Ų | 41 | 82.9 Ų | 82.9 | 16% | 0.155 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -75.5 | -33.4 | -179.5 | -73.5 | 113.8 | 0 | 0 | 0 | 113.4 | L1068 P1072 I1333 G1334 Y1335 Y1339 L1340 L1341 | L1068-W1337 HydrophobicContact CD2-CH2 3.78Å; L1068-W1337 HydrophobicContact CD2-CZ2 4.06Å; P1072-W1337 HydrophobicContact CG-CZ2 4.45Å; I1333-W1337 VanDerWaalsContact O-CD1 3.29Å; I1333-W1337 PolarHBondContact O-N 3.11Å; G1334-W1337 PolarHBondContact O-N 3.32Å; Y1335-W1337 PolarHBondContact O-N 2.83Å; W1337-Y1339 VanDerWaalsContact C-N 3.27Å; W1337-Y1339 PolarHBondContact O-N 2.68Å; W1337-L1340 HydrophobicContact CD2-CD1 4.35Å; W1337-L1340 HydrophobicContact CE3-CB 4.04Å; W1337-L1340 HydrophobicContact CE3-CD1 3.77Å; W1337-L1340 HydrophobicContact CH2-CD1 4.09Å; W1337-L1340 HydrophobicContact CZ3-CB 4.27Å; W1337-L1340 HydrophobicContact CZ3-CD1 3.62Å; W1337-L1340 PolarHBondContact O-N 3.07Å; W1337-L1341 VanDerWaalsContact O-CB 3.32Å; W1337-L1341 WeakPolarHBondContact O-CB 3.44Å; W1337-L1341 VanDerWaalsContact O-CG 3.31Å; W1337-L1341 WeakPolarHBondContact O-CG 3.43Å; W1337-L1341 PolarHBondContact O-N 2.8Å |
| 1338 | H | 35.5 | Very low | 34.4 | Very low | 111 Ų | 111 | 87.8 Ų | 87.8 | 51% | 0.514 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 170.8 | -156 | 53.8 | 0 | 0 | 0 | 110.9 | G1334 Y1335 L1342 | G1334-H1338 WeakPolarHBondContact O-CB 3.36Å; G1334-H1338 PolarHBondContact O-N 3.23Å; Y1335-H1338 PolarHBondContact O-N 3.13Å; H1338-L1342 WeakPolarHBondContact O-CG 3.44Å; H1338-L1342 PolarHBondContact O-N 3.06Å |
| 1339 | Y | 34 | Very low | 34.6 | Very low | 67 Ų | 67 | 86.3 Ų | 86.3 | 26% | 0.263 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 174.5 | -166.5 | -86.2 | 0 | 0 | 0 | 113.2 | D1258 Y1335 L1336 W1337 L1341 R1346 | D1258-Y1339 HydrophobicContact CB-CE1 3.94Å; D1258-Y1339 PolarHBondContact O-OH 3.49Å; D1258-Y1339 VanDerWaalsContact O-OH 3.13Å; Y1335-Y1339 WeakPolarHBondContact O-CB 3.29Å; Y1335-Y1339 PolarHBondContact O-N 2.82Å; L1336-Y1339 WeakPolarHBondContact O-CB 3.37Å; L1336-Y1339 PolarHBondContact O-N 3.39Å; W1337-Y1339 VanDerWaalsContact C-N 3.27Å; W1337-Y1339 PolarHBondContact O-N 2.68Å; Y1339-L1341 VanDerWaalsContact C-N 3.34Å; Y1339-L1341 PolarHBondContact O-N 2.9Å; Y1339-R1346 VanDerWaalsContact CZ-NH1 3.34Å; Y1339-R1346 PolarHBondContact OH-NH1 2.75Å |
| 1340 | L | 31 | Very low | 34.8 | Very low | 34 Ų | 34 | 81.6 Ų | 81.6 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.6 | -27.5 | -178.6 | -74.1 | 170.4 | 0 | 0 | 0 | 113.8 | A1255 L1336 W1337 Y1350 | A1255-L1340 HydrophobicContact CB-CD2 3.99Å; L1336-L1340 HydrophobicContact CG-CD1 4.22Å; L1336-L1340 WeakPolarHBondContact O-CG 3.36Å; L1336-L1340 PolarHBondContact O-N 2.88Å; W1337-L1340 HydrophobicContact CD2-CD1 4.35Å; W1337-L1340 HydrophobicContact CE3-CB 4.04Å; W1337-L1340 HydrophobicContact CE3-CD1 3.77Å; W1337-L1340 HydrophobicContact CH2-CD1 4.09Å; W1337-L1340 HydrophobicContact CZ3-CB 4.27Å; W1337-L1340 HydrophobicContact CZ3-CD1 3.62Å; W1337-L1340 PolarHBondContact O-N 3.07Å; L1340-Y1350 HydrophobicContact CD2-CE2 4.16Å |
| 1341 | L | 32.6 | Very low | 35.1 | Very low | 102 Ų | 102 | 79.5 Ų | 79.5 | 53% | 0.534 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1 | -178.8 | -64.5 | 172 | 0 | 0 | 0 | 114.1 | W1337 Y1339 P1343 | W1337-L1341 VanDerWaalsContact O-CB 3.32Å; W1337-L1341 WeakPolarHBondContact O-CB 3.44Å; W1337-L1341 VanDerWaalsContact O-CG 3.31Å; W1337-L1341 WeakPolarHBondContact O-CG 3.43Å; W1337-L1341 PolarHBondContact O-N 2.8Å; Y1339-L1341 VanDerWaalsContact C-N 3.34Å; Y1339-L1341 PolarHBondContact O-N 2.9Å; L1341-P1343 VanDerWaalsContact O-CD 3.29Å; L1341-P1343 WeakPolarHBondContact O-CD 3.39Å |
| 1342 | L | 31.8 | Very low | 35.5 | Very low | 89 Ų | 89 | 80.2 Ų | 80.2 | 47% | 0.466 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -59.2 | 120.1 | 175.6 | -91.4 | 166.7 | 0 | 0 | 0 | 111.5 | H1338 G1344 | H1338-L1342 WeakPolarHBondContact O-CG 3.44Å; H1338-L1342 PolarHBondContact O-N 3.06Å; L1342-G1344 PolarHBondContact O-N 2.83Å; L1342-G1344 VanDerWaalsContact O-N 3.07Å |
| 1343 | P | 30.1 | Very low | 35.9 | Very low | 71 Ų | 71 | 81.6 Ų | 81.6 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -62.1 | 112.8 | 177.6 | -23.3 | 34.3 | 0 | 0 | 0 | 111.5 | L1341 A1395 | L1341-P1343 VanDerWaalsContact O-CD 3.29Å; L1341-P1343 WeakPolarHBondContact O-CD 3.39Å; P1343-A1395 HydrophobicContact CG-CB 4.06Å |
| 1344 | G | 32.6 | Very low | 36.1 | Very low | 46 Ų | 46 | 84.5 Ų | 84.5 | 47% | 0.474 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -173.8 | -173.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1342 R1346 | L1342-G1344 PolarHBondContact O-N 2.83Å; L1342-G1344 VanDerWaalsContact O-N 3.07Å; G1344-R1346 PolarHBondContact O-N 3.27Å; G1344-R1346 VanDerWaalsContact O-N 3.11Å |
| 1345 | R | 31.1 | Very low | 36.4 | Very low | 236 Ų | 236 | 87.6 Ų | 87.6 | 89% | 0.891 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.9 | -27.8 | -177.1 | -65.6 | -174.8 | -176.2 | 177.6 | 3.9 | 113.4 | S1349 | R1345-S1349 PolarHBondContact O-N 3.34Å; R1345-S1349 VanDerWaalsContact O-N 3.14Å |
| 1346 | R | 36.8 | Very low | 36.8 | Very low | 117 Ų | 117 | 81.5 Ų | 81.5 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.7 | -49.5 | -174.7 | -66.9 | 178.4 | 176.6 | 164.4 | -9.2 | 113.3 | D1258 Y1339 G1344 R1348 S1349 Y1350 | D1258-R1346 IonicContact OD1-CZ 2.66Å; D1258-R1346 IonicContact OD1-NE 2.83Å; D1258-R1346 IonicContact OD1-NH1 3.54Å; D1258-R1346 IonicContact OD1-NH2 2.8Å; D1258-R1346 PolarHBondContact OD1-NH2 2.69Å; D1258-R1346 VanDerWaalsContact OD2-CD 3.22Å; D1258-R1346 WeakPolarHBondContact OD2-CD 3.36Å; D1258-R1346 IonicContact OD2-CZ 3.61Å; D1258-R1346 IonicContact OD2-NE 3.16Å; D1258-R1346 PolarHBondContact OD2-NE 2.7Å; D1258-R1346 IonicContact OD2-NH1 3.56Å; D1258-R1346 PolarHBondContact OD2-NH1 2.96Å; D1258-R1346 IonicContact OD2-NH2 3.07Å; D1258-R1346 PolarHBondContact OD2-NH2 2.68Å; Y1339-R1346 VanDerWaalsContact CZ-NH1 3.34Å; Y1339-R1346 PolarHBondContact OH-NH1 2.75Å; G1344-R1346 PolarHBondContact O-N 3.27Å; G1344-R1346 VanDerWaalsContact O-N 3.11Å; R1346-R1348 VanDerWaalsContact C-N 3.25Å; R1346-R1348 PolarHBondContact O-N 3Å; R1346-S1349 WeakPolarHBondContact O-CA 3.46Å; R1346-S1349 WeakPolarHBondContact O-CB 3.33Å; R1346-S1349 PolarHBondContact O-N 2.89Å; R1346-Y1350 HydrophobicContact CB-CE2 4.48Å; R1346-Y1350 PolarHBondContact O-N 3.01Å |
| 1347 | F | 35.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 81.6 Ų | 81.6 | 48% | 0.482 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56 | -41.6 | 175 | -175.7 | -100.4 | 0 | 0 | 0 | 111.9 | S1349 Y1350 C1351 | F1347-S1349 VanDerWaalsContact C-N 3.29Å; F1347-S1349 PolarHBondContact O-N 3.32Å; F1347-Y1350 PolarHBondContact O-N 3.22Å; F1347-C1351 PolarHBondContact O-N 2.79Å; F1347-C1351 PolarHBondContact O-SG 2.92Å |
| 1348 | R | 39.8 | Very low | 36.7 | Very low | 131 Ų | 131 | 81.8 Ų | 81.8 | 49% | 0.494 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.7 | -33.3 | 174 | -166.7 | 171.7 | -168.4 | 130.7 | 8.2 | 112.9 | R1346 N1352 | R1346-R1348 VanDerWaalsContact C-N 3.25Å; R1346-R1348 PolarHBondContact O-N 3Å; R1348-N1352 WeakPolarHBondContact O-CB 3.44Å; R1348-N1352 PolarHBondContact O-N 3.43Å; R1348-N1352 VanDerWaalsContact O-N 3.07Å; R1348-N1352 PolarHBondContact O-ND2 2.83Å; R1348-N1352 PolarHBondContact O-OD1 2.84Å |
| 1349 | S | 41.3 | Very low | 37.1 | Very low | 68 Ų | 68 | 80.3 Ų | 80.3 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 173.3 | -154.1 | 0 | 0 | 0 | 0 | 111.4 | R1345 R1346 F1347 N1352 L1353 | R1345-S1349 PolarHBondContact O-N 3.34Å; R1345-S1349 VanDerWaalsContact O-N 3.14Å; R1346-S1349 WeakPolarHBondContact O-CA 3.46Å; R1346-S1349 WeakPolarHBondContact O-CB 3.33Å; R1346-S1349 PolarHBondContact O-N 2.89Å; F1347-S1349 VanDerWaalsContact C-N 3.29Å; F1347-S1349 PolarHBondContact O-N 3.32Å; S1349-N1352 PolarHBondContact O-N 3.04Å; S1349-L1353 WeakPolarHBondContact O-CB 3.2Å; S1349-L1353 PolarHBondContact O-N 2.82Å |
| 1350 | Y | 37.7 | Very low | 37.4 | Very low | 37 Ų | 37 | 83.5 Ų | 83.5 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 177.3 | -58.8 | -38.6 | 0 | 0 | 0 | 112.4 | L1251 L1254 L1340 R1346 F1347 N1352 L1353 L1354 | L1251-Y1350 HydrophobicContact CD2-CD1 3.31Å; L1251-Y1350 HydrophobicContact CD2-CE1 3.89Å; L1251-Y1350 HydrophobicContact CD2-CG 3.83Å; L1254-Y1350 HydrophobicContact CB-CE1 4.19Å; L1254-Y1350 HydrophobicContact CD1-CE1 4.02Å; L1340-Y1350 HydrophobicContact CD2-CE2 4.16Å; R1346-Y1350 HydrophobicContact CB-CE2 4.48Å; R1346-Y1350 PolarHBondContact O-N 3.01Å; F1347-Y1350 PolarHBondContact O-N 3.22Å; Y1350-N1352 VanDerWaalsContact C-N 3.34Å; Y1350-N1352 PolarHBondContact O-N 2.97Å; Y1350-L1353 PolarHBondContact O-N 3.44Å; Y1350-L1354 WeakPolarHBondContact O-CB 3.29Å; Y1350-L1354 PolarHBondContact O-N 3.04Å |
| 1351 | C | 40.5 | Very low | 37.4 | Very low | 55 Ų | 55 | 83.6 Ų | 83.6 | 37% | 0.372 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 174.7 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | F1347 Q1355 | F1347-C1351 PolarHBondContact O-N 2.79Å; F1347-C1351 PolarHBondContact O-SG 2.92Å; C1351-Q1355 VanDerWaalsContact O-CB 3.26Å; C1351-Q1355 WeakPolarHBondContact O-CB 3.41Å; C1351-Q1355 PolarHBondContact O-N 3.43Å |
| 1352 | N | 43.6 | Very low | 37.6 | Very low | 101 Ų | 101 | 81.9 Ų | 81.9 | 54% | 0.54 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 175.7 | -73.4 | -14.2 | 0 | 0 | 0 | 112 | R1348 S1349 Y1350 Q1355 S1356 | R1348-N1352 WeakPolarHBondContact O-CB 3.44Å; R1348-N1352 PolarHBondContact O-N 3.43Å; R1348-N1352 VanDerWaalsContact O-N 3.07Å; R1348-N1352 PolarHBondContact O-ND2 2.83Å; R1348-N1352 PolarHBondContact O-OD1 2.84Å; S1349-N1352 PolarHBondContact O-N 3.04Å; Y1350-N1352 VanDerWaalsContact C-N 3.34Å; Y1350-N1352 PolarHBondContact O-N 2.97Å; N1352-Q1355 PolarHBondContact O-N 3.32Å; N1352-S1356 PolarHBondContact O-N 3.07Å |
| 1353 | L | 42.5 | Very low | 37.9 | Very low | 52 Ų | 52 | 84 Ų | 84 | 27% | 0.272 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.8 | -50.9 | 177.2 | -167.3 | 78.7 | 0 | 0 | 0 | 110.4 | L1247 L1251 S1349 Y1350 Q1355 S1356 L1357 | L1247-L1353 HydrophobicContact CD1-CD2 4.47Å; L1251-L1353 HydrophobicContact CD2-CD2 4.28Å; S1349-L1353 WeakPolarHBondContact O-CB 3.2Å; S1349-L1353 PolarHBondContact O-N 2.82Å; Y1350-L1353 PolarHBondContact O-N 3.44Å; L1353-Q1355 VanDerWaalsContact C-N 3.32Å; L1353-Q1355 PolarHBondContact O-N 3.35Å; L1353-S1356 WeakPolarHBondContact O-CB 3.32Å; L1353-S1356 PolarHBondContact O-N 3.11Å; L1353-L1357 PolarHBondContact O-N 2.63Å |
| 1354 | L | 37.2 | Very low | 37.9 | Very low | 78 Ų | 78 | 82.2 Ų | 82.2 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.9 | -44.9 | 175.1 | -174.8 | 70.4 | 0 | 0 | 0 | 111.8 | L1247 Y1350 S1356 L1357 V1358 | L1247-L1354 HydrophobicContact CD1-CD1 4.34Å; L1247-L1354 HydrophobicContact CD2-CD1 3.67Å; Y1350-L1354 WeakPolarHBondContact O-CB 3.29Å; Y1350-L1354 PolarHBondContact O-N 3.04Å; L1354-S1356 VanDerWaalsContact C-N 3.34Å; L1354-S1356 PolarHBondContact O-N 3.29Å; L1354-L1357 PolarHBondContact O-N 2.98Å; L1354-V1358 WeakPolarHBondContact O-CB 3.41Å; L1354-V1358 VanDerWaalsContact O-CG2 3.31Å; L1354-V1358 WeakPolarHBondContact O-CG2 3.35Å; L1354-V1358 PolarHBondContact O-N 2.76Å |
| 1355 | Q | 42.7 | Very low | 38.1 | Very low | 79 Ų | 79 | 84.2 Ų | 84.2 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 177.4 | -179.1 | 59.5 | 91.6 | 0 | 0 | 112.7 | C1351 N1352 L1353 N1359 | C1351-Q1355 VanDerWaalsContact O-CB 3.26Å; C1351-Q1355 WeakPolarHBondContact O-CB 3.41Å; C1351-Q1355 PolarHBondContact O-N 3.43Å; N1352-Q1355 PolarHBondContact O-N 3.32Å; L1353-Q1355 VanDerWaalsContact C-N 3.32Å; L1353-Q1355 PolarHBondContact O-N 3.35Å; Q1355-N1359 PolarHBondContact NE2-ND2 2.82Å; Q1355-N1359 PolarHBondContact O-N 2.86Å; Q1355-N1359 PolarHBondContact O-ND2 2.82Å |
| 1356 | S | 43.2 | Very low | 38.1 | Very low | 62 Ų | 62 | 75.7 Ų | 75.7 | 43% | 0.434 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66 | -47.4 | 172.6 | -171.2 | 0 | 0 | 0 | 0 | 111.1 | N1352 L1353 L1354 N1359 Q1360 | N1352-S1356 PolarHBondContact O-N 3.07Å; L1353-S1356 WeakPolarHBondContact O-CB 3.32Å; L1353-S1356 PolarHBondContact O-N 3.11Å; L1354-S1356 VanDerWaalsContact C-N 3.34Å; L1354-S1356 PolarHBondContact O-N 3.29Å; S1356-N1359 CarbonylContact O-C 3.45Å; S1356-N1359 WeakPolarHBondContact O-CA 3.31Å; S1356-N1359 WeakPolarHBondContact O-CB 3.47Å; S1356-N1359 PolarHBondContact O-N 3.34Å; S1356-Q1360 PolarHBondContact O-N 3.33Å |
| 1357 | L | 34.8 | Very low | 37.9 | Very low | 26 Ų | 26 | 70.5 Ų | 70.5 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.3 | -37.6 | -175 | -140.2 | 143.9 | 0 | 0 | 0 | 112.1 | L1247 L1353 L1354 N1359 Q1360 M1361 | L1247-L1357 HydrophobicContact CB-CD1 4.15Å; L1247-L1357 HydrophobicContact CD1-CD1 4.06Å; L1353-L1357 PolarHBondContact O-N 2.63Å; L1354-L1357 PolarHBondContact O-N 2.98Å; L1357-N1359 PolarHBondContact O-N 3.45Å; L1357-Q1360 PolarHBondContact O-N 3.09Å; L1357-Q1360 VanDerWaalsContact O-N 3.12Å; L1357-M1361 HydrophobicContact CD2-CE 3.9Å; L1357-M1361 HydrophobicContact CD2-CG 4.48Å; L1357-M1361 WeakPolarHBondContact O-CG 3.4Å; L1357-M1361 PolarHBondContact O-N 2.99Å |
| 1358 | V | 37.5 | Very low | 37.8 | Very low | 46 Ų | 46 | 69.5 Ų | 69.5 | 28% | 0.279 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -26.5 | 169.1 | 170.2 | 0 | 0 | 0 | 0 | 112.6 | L1354 | L1354-V1358 WeakPolarHBondContact O-CB 3.41Å; L1354-V1358 VanDerWaalsContact O-CG2 3.31Å; L1354-V1358 WeakPolarHBondContact O-CG2 3.35Å; L1354-V1358 PolarHBondContact O-N 2.76Å |
| 1359 | N | 44.2 | Very low | 37.6 | Very low | 80 Ų | 80 | 66.9 Ų | 66.9 | 43% | 0.428 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -81 | -32.8 | 172.4 | -76 | -33.7 | 0 | 0 | 0 | 112.6 | Q1355 S1356 L1357 S1362 | Q1355-N1359 PolarHBondContact NE2-ND2 2.82Å; Q1355-N1359 PolarHBondContact O-N 2.86Å; Q1355-N1359 PolarHBondContact O-ND2 2.82Å; S1356-N1359 CarbonylContact O-C 3.45Å; S1356-N1359 WeakPolarHBondContact O-CA 3.31Å; S1356-N1359 WeakPolarHBondContact O-CB 3.47Å; S1356-N1359 PolarHBondContact O-N 3.34Å; L1357-N1359 PolarHBondContact O-N 3.45Å; N1359-S1362 WeakPolarHBondContact O-CB 3.4Å; N1359-S1362 PolarHBondContact O-N 3.42Å; N1359-S1362 PolarHBondContact O-OG 3.33Å |
| 1360 | Q | 39.1 | Very low | 37.2 | Very low | 134 Ų | 134 | 66.5 Ų | 66.5 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.2 | -40.2 | 172.4 | -72.3 | 167.9 | -60.1 | 0 | 0 | 111.9 | S1356 L1357 S1362 | S1356-Q1360 PolarHBondContact O-N 3.33Å; L1357-Q1360 PolarHBondContact O-N 3.09Å; L1357-Q1360 VanDerWaalsContact O-N 3.12Å; Q1360-S1362 PolarHBondContact O-N 3.38Å |
| 1361 | M | 30.9 | Very low | 37 | Very low | 35 Ų | 35 | 68.7 Ų | 68.7 | 17% | 0.172 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -64.6 | 15.3 | 172.2 | -69.9 | -173.4 | 171.9 | 0 | 0 | 114.7 | N1243 L1357 T1363 H1364 S1367 | N1243-M1361 HydrophobicContact CB-CE 3.47Å; N1243-M1361 VanDerWaalsContact CB-CE 3.47Å; L1357-M1361 HydrophobicContact CD2-CE 3.9Å; L1357-M1361 HydrophobicContact CD2-CG 4.48Å; L1357-M1361 WeakPolarHBondContact O-CG 3.4Å; L1357-M1361 PolarHBondContact O-N 2.99Å; M1361-T1363 PolarHBondContact O-N 3.5Å; M1361-T1363 VanDerWaalsContact O-N 3.16Å; M1361-H1364 PolarHBondContact O-N 2.97Å; M1361-S1367 WeakPolarHBondContact O-CB 3.37Å; M1361-S1367 PolarHBondContact O-OG 2.93Å |
| 1362 | S | 36.9 | Very low | 36.8 | Very low | 66 Ų | 66 | 68.3 Ų | 68.3 | 46% | 0.462 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -70 | -9.3 | -172 | 52.7 | 0 | 0 | 0 | 0 | 115.8 | N1359 Q1360 K1371 | N1359-S1362 WeakPolarHBondContact O-CB 3.4Å; N1359-S1362 PolarHBondContact O-N 3.42Å; N1359-S1362 PolarHBondContact O-OG 3.33Å; Q1360-S1362 PolarHBondContact O-N 3.38Å; S1362-K1371 VanDerWaalsContact CB-NZ 3.34Å |
| 1363 | T | 38.5 | Very low | 36.3 | Very low | 134 Ų | 134 | 68.2 Ų | 68.2 | 82% | 0.822 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -78.4 | -21 | 176.9 | 49.1 | 0 | 0 | 0 | 0 | 114 | M1361 | M1361-T1363 PolarHBondContact O-N 3.5Å; M1361-T1363 VanDerWaalsContact O-N 3.16Å |
| 1364 | H | 30.3 | Very low | 35.9 | Very low | 34 Ų | 34 | 70.4 Ų | 70.4 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | trans | -90.1 | 139.5 | -168.5 | -139.4 | -97.9 | 0 | 0 | 0 | 114.1 | F1236 M1361 S1366 S1367 V1368 | F1236-H1364 WeakPolarHBondContact CB-NE2 3.4Å; F1236-H1364 AromaticContact CD1-NE2 3.31Å; F1236-H1364 VanDerWaalsContact CD1-NE2 3.31Å; F1236-H1364 WeakPolarHBondContact CD1-NE2 3.49Å; F1236-H1364 AromaticContact CG-NE2 3.63Å; F1236-H1364 PolarHBondContact O-CE1 2.73Å; F1236-H1364 PolarHBondContact O-NE2 3.15Å; M1361-H1364 PolarHBondContact O-N 2.97Å; H1364-S1366 VanDerWaalsContact C-N 3.34Å; H1364-S1366 PolarHBondContact ND1-OG 3.29Å; H1364-S1366 PolarHBondContact O-N 3.48Å; H1364-S1367 WeakPolarHBondContact O-CA 3.35Å; H1364-S1367 VanDerWaalsContact O-CB 3.25Å; H1364-S1367 WeakPolarHBondContact O-CB 3.26Å; H1364-S1367 PolarHBondContact O-N 2.96Å; H1364-V1368 PolarHBondContact O-N 2.89Å; H1364-V1368 VanDerWaalsContact O-N 3.12Å | ||
| 1365 | S | 36.7 | Very low | 35.8 | Very low | 88 Ų | 88 | 67.6 Ų | 67.6 | 62% | 0.615 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 177.4 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | S1367 V1368 L1369 | S1365-S1367 VanDerWaalsContact C-N 3.26Å; S1365-S1367 PolarHBondContact O-N 3.23Å; S1365-V1368 VanDerWaalsContact O-CB 3.31Å; S1365-V1368 WeakPolarHBondContact O-CB 3.22Å; S1365-V1368 PolarHBondContact O-N 2.92Å; S1365-L1369 PolarHBondContact O-N 2.85Å |
| 1366 | S | 29.7 | Very low | 35.3 | Very low | 56 Ų | 56 | 70.5 Ų | 70.5 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 171.2 | -27.8 | 0 | 0 | 0 | 0 | 111.9 | H1364 V1368 L1369 C1370 | H1364-S1366 VanDerWaalsContact C-N 3.34Å; H1364-S1366 PolarHBondContact ND1-OG 3.29Å; H1364-S1366 PolarHBondContact O-N 3.48Å; S1366-V1368 VanDerWaalsContact C-N 3.29Å; S1366-V1368 PolarHBondContact O-N 2.71Å; S1366-L1369 PolarHBondContact O-N 2.83Å; S1366-C1370 PolarHBondContact O-N 2.81Å |
| 1367 | S | 34.1 | Very low | 34.7 | Very low | 9 Ų | 9 | 71 Ų | 71 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68 | -26.1 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 112.3 | M1361 H1364 S1365 L1369 C1370 K1371 | M1361-S1367 WeakPolarHBondContact O-CB 3.37Å; M1361-S1367 PolarHBondContact O-OG 2.93Å; H1364-S1367 WeakPolarHBondContact O-CA 3.35Å; H1364-S1367 VanDerWaalsContact O-CB 3.25Å; H1364-S1367 WeakPolarHBondContact O-CB 3.26Å; H1364-S1367 PolarHBondContact O-N 2.96Å; S1365-S1367 VanDerWaalsContact C-N 3.26Å; S1365-S1367 PolarHBondContact O-N 3.23Å; S1367-L1369 VanDerWaalsContact C-N 3.32Å; S1367-L1369 PolarHBondContact O-N 2.88Å; S1367-C1370 PolarHBondContact O-N 3.49Å; S1367-K1371 VanDerWaalsContact O-CB 3.28Å; S1367-K1371 WeakPolarHBondContact O-CB 3.33Å; S1367-K1371 WeakPolarHBondContact O-CG 3.43Å; S1367-K1371 PolarHBondContact O-N 2.98Å |
| 1368 | V | 33.5 | Very low | 34.5 | Very low | 89 Ų | 89 | 73.5 Ų | 73.5 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 167.8 | -175 | 0 | 0 | 0 | 0 | 110.9 | H1364 S1365 S1366 K1371 A1372 | H1364-V1368 PolarHBondContact O-N 2.89Å; H1364-V1368 VanDerWaalsContact O-N 3.12Å; S1365-V1368 VanDerWaalsContact O-CB 3.31Å; S1365-V1368 WeakPolarHBondContact O-CB 3.22Å; S1365-V1368 PolarHBondContact O-N 2.92Å; S1366-V1368 VanDerWaalsContact C-N 3.29Å; S1366-V1368 PolarHBondContact O-N 2.71Å; V1368-K1371 CarbonylContact O-C 3.58Å; V1368-A1372 VanDerWaalsContact O-CB 3.24Å; V1368-A1372 WeakPolarHBondContact O-CB 3.49Å; V1368-A1372 PolarHBondContact O-N 2.8Å |
| 1369 | L | 34.2 | Very low | 34.2 | Very low | 75 Ų | 75 | 75.3 Ų | 75.3 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.7 | -37.5 | 174.3 | -163 | 76.3 | 0 | 0 | 0 | 112.1 | S1365 S1366 S1367 A1372 I1373 | S1365-L1369 PolarHBondContact O-N 2.85Å; S1366-L1369 PolarHBondContact O-N 2.83Å; S1367-L1369 VanDerWaalsContact C-N 3.32Å; S1367-L1369 PolarHBondContact O-N 2.88Å; L1369-A1372 HydrophobicContact CD1-CB 4.5Å; L1369-A1372 CarbonylContact O-C 3.59Å; L1369-A1372 PolarHBondContact O-N 3.41Å; L1369-A1372 VanDerWaalsContact O-N 3.11Å; L1369-I1373 HydrophobicContact CD2-CD1 4.14Å; L1369-I1373 HydrophobicContact CG-CD1 3.99Å; L1369-I1373 HydrophobicContact CG-CG1 4.37Å; L1369-I1373 WeakPolarHBondContact O-CB 3.26Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.37Å; L1369-I1373 PolarHBondContact O-N 3.28Å |
| 1370 | C | 33.3 | Very low | 33.6 | Very low | 61 Ų | 61 | 74.9 Ų | 74.9 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 171.1 | -64.1 | 0 | 0 | 0 | 0 | 111 | S1366 S1367 A1372 I1373 F1374 | S1366-C1370 PolarHBondContact O-N 2.81Å; S1367-C1370 PolarHBondContact O-N 3.49Å; C1370-A1372 VanDerWaalsContact C-N 3.3Å; C1370-A1372 PolarHBondContact O-N 3.11Å; C1370-I1373 PolarHBondContact O-N 3.1Å; C1370-F1374 WeakPolarHBondContact O-CA 3.41Å; C1370-F1374 WeakPolarHBondContact O-CB 3.34Å; C1370-F1374 PolarHBondContact O-N 3.34Å |
| 1371 | K | 34 | Very low | 32.9 | Very low | 82 Ų | 82 | 69.9 Ų | 69.9 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.6 | -26.2 | 171.2 | -76 | -174.9 | 175.9 | -172.9 | 0 | 113.3 | S1362 S1367 V1368 G1375 | S1362-K1371 VanDerWaalsContact CB-NZ 3.34Å; S1367-K1371 VanDerWaalsContact O-CB 3.28Å; S1367-K1371 WeakPolarHBondContact O-CB 3.33Å; S1367-K1371 WeakPolarHBondContact O-CG 3.43Å; S1367-K1371 PolarHBondContact O-N 2.98Å; V1368-K1371 CarbonylContact O-C 3.58Å; K1371-G1375 WeakPolarHBondContact O-CA 3.33Å; K1371-G1375 PolarHBondContact O-N 2.87Å |
| 1372 | A | 35.4 | Very low | 32.7 | Very low | 47 Ų | 47 | 76.7 Ų | 76.7 | 39% | 0.388 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -76.7 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1368 L1369 C1370 H1376 | V1368-A1372 VanDerWaalsContact O-CB 3.24Å; V1368-A1372 WeakPolarHBondContact O-CB 3.49Å; V1368-A1372 PolarHBondContact O-N 2.8Å; L1369-A1372 HydrophobicContact CD1-CB 4.5Å; L1369-A1372 CarbonylContact O-C 3.59Å; L1369-A1372 PolarHBondContact O-N 3.41Å; L1369-A1372 VanDerWaalsContact O-N 3.11Å; C1370-A1372 VanDerWaalsContact C-N 3.3Å; C1370-A1372 PolarHBondContact O-N 3.11Å; A1372-H1376 VanDerWaalsContact O-CB 3.29Å; A1372-H1376 WeakPolarHBondContact O-CB 3.42Å; A1372-H1376 PolarHBondContact O-N 3.21Å |
| 1373 | I | 33.6 | Very low | 32.5 | Very low | 99 Ų | 99 | 76.6 Ų | 76.6 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74.4 | -50.7 | 177.6 | -67.1 | 168.6 | 0 | 0 | 0 | 110.4 | L1369 C1370 G1375 H1376 Y1377 | L1369-I1373 HydrophobicContact CD2-CD1 4.14Å; L1369-I1373 HydrophobicContact CG-CD1 3.99Å; L1369-I1373 HydrophobicContact CG-CG1 4.37Å; L1369-I1373 WeakPolarHBondContact O-CB 3.26Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.37Å; L1369-I1373 PolarHBondContact O-N 3.28Å; C1370-I1373 PolarHBondContact O-N 3.1Å; I1373-G1375 VanDerWaalsContact C-N 3.27Å; I1373-G1375 PolarHBondContact O-N 3.34Å; I1373-H1376 CarbonylContact O-C 3.58Å; I1373-H1376 PolarHBondContact O-N 3.19Å; I1373-Y1377 WeakPolarHBondContact O-CB 3.18Å; I1373-Y1377 PolarHBondContact O-N 2.72Å |
| 1374 | F | 34.3 | Very low | 32 | Very low | 98 Ų | 98 | 73.5 Ų | 73.5 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69 | -28.8 | 176.1 | -146.4 | -87.1 | 0 | 0 | 0 | 111.3 | C1370 Y1377 I1378 | C1370-F1374 WeakPolarHBondContact O-CA 3.41Å; C1370-F1374 WeakPolarHBondContact O-CB 3.34Å; C1370-F1374 PolarHBondContact O-N 3.34Å; F1374-Y1377 PolarHBondContact O-N 3.5Å; F1374-I1378 HydrophobicContact CD1-CD1 3.69Å; F1374-I1378 HydrophobicContact CD1-CG1 4.09Å; F1374-I1378 HydrophobicContact CE1-CD1 3.92Å; F1374-I1378 HydrophobicContact CE1-CG1 4.25Å; F1374-I1378 WeakPolarHBondContact O-CB 3.43Å; F1374-I1378 VanDerWaalsContact O-CG1 3.32Å; F1374-I1378 WeakPolarHBondContact O-CG1 3.1Å; F1374-I1378 PolarHBondContact O-N 3.11Å |
| 1375 | G | 34.3 | Very low | 32.2 | Very low | 20 Ų | 20 | 76.1 Ų | 76.1 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67 | -47 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1371 I1373 Y1377 I1378 I1379 | K1371-G1375 WeakPolarHBondContact O-CA 3.33Å; K1371-G1375 PolarHBondContact O-N 2.87Å; I1373-G1375 VanDerWaalsContact C-N 3.27Å; I1373-G1375 PolarHBondContact O-N 3.34Å; G1375-Y1377 PolarHBondContact O-N 2.78Å; G1375-I1378 PolarHBondContact O-N 3.11Å; G1375-I1379 WeakPolarHBondContact O-CB 3.12Å; G1375-I1379 WeakPolarHBondContact O-CD1 3.37Å; G1375-I1379 WeakPolarHBondContact O-CG1 3.47Å; G1375-I1379 PolarHBondContact O-N 2.84Å |
| 1376 | H | 31.9 | Very low | 31.9 | Very low | 140 Ų | 140 | 77.1 Ų | 77.1 | 65% | 0.648 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.9 | -31.4 | 171.4 | -114.9 | -98.4 | 0 | 0 | 0 | 111.9 | A1372 I1373 S1380 | A1372-H1376 VanDerWaalsContact O-CB 3.29Å; A1372-H1376 WeakPolarHBondContact O-CB 3.42Å; A1372-H1376 PolarHBondContact O-N 3.21Å; I1373-H1376 CarbonylContact O-C 3.58Å; I1373-H1376 PolarHBondContact O-N 3.19Å; H1376-S1380 WeakPolarHBondContact O-CB 3.46Å; H1376-S1380 PolarHBondContact O-N 2.96Å; H1376-S1380 PolarHBondContact O-OG 3.03Å |
| 1377 | Y | 30.8 | Very low | 31.8 | Very low | 71 Ų | 71 | 77 Ų | 77 | 28% | 0.278 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.9 | -46.2 | 175.9 | -178.3 | -85.5 | 0 | 0 | 0 | 111.7 | I1095 I1373 F1374 G1375 I1379 S1380 N1381 | I1095-Y1377 HydrophobicContact CD1-CE2 3.93Å; I1373-Y1377 WeakPolarHBondContact O-CB 3.18Å; I1373-Y1377 PolarHBondContact O-N 2.72Å; F1374-Y1377 PolarHBondContact O-N 3.5Å; G1375-Y1377 PolarHBondContact O-N 2.78Å; Y1377-I1379 VanDerWaalsContact C-N 3.31Å; Y1377-S1380 PolarHBondContact O-OG 3.47Å; Y1377-N1381 WeakPolarHBondContact CD2-ND2 3.29Å; Y1377-N1381 WeakPolarHBondContact O-CA 3.49Å; Y1377-N1381 WeakPolarHBondContact O-CB 3.39Å; Y1377-N1381 PolarHBondContact O-N 2.91Å; Y1377-N1381 PolarHBondContact O-ND2 3.49Å |
| 1378 | I | 31.3 | Very low | 31.7 | Very low | 80 Ų | 80 | 80.5 Ų | 80.5 | 41% | 0.41 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 173.7 | -72.4 | 171.6 | 0 | 0 | 0 | 111 | F1374 G1375 N1381 R1382 | F1374-I1378 HydrophobicContact CD1-CD1 3.69Å; F1374-I1378 HydrophobicContact CD1-CG1 4.09Å; F1374-I1378 HydrophobicContact CE1-CD1 3.92Å; F1374-I1378 HydrophobicContact CE1-CG1 4.25Å; F1374-I1378 WeakPolarHBondContact O-CB 3.43Å; F1374-I1378 VanDerWaalsContact O-CG1 3.32Å; F1374-I1378 WeakPolarHBondContact O-CG1 3.1Å; F1374-I1378 PolarHBondContact O-N 3.11Å; G1375-I1378 PolarHBondContact O-N 3.11Å; I1378-N1381 CarbonylContact O-C 3.3Å; I1378-R1382 VanDerWaalsContact O-CA 3.23Å; I1378-R1382 WeakPolarHBondContact O-CA 3.41Å; I1378-R1382 WeakPolarHBondContact O-CB 3.38Å; I1378-R1382 WeakPolarHBondContact O-CG 2.9Å; I1378-R1382 PolarHBondContact O-N 2.88Å; I1378-R1382 VanDerWaalsContact O-N 3.07Å |
| 1379 | I | 31.8 | Very low | 31.6 | Very low | 84 Ų | 84 | 79.1 Ų | 79.1 | 43% | 0.431 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -80.3 | -38.8 | 179.4 | -68.9 | 166.5 | 0 | 0 | 0 | 111.4 | R515 G1375 Y1377 | R515-I1379 PolarHBondContact NH1-O 3.41Å; R515-I1379 PolarHBondContact NH2-O 3.34Å; G1375-I1379 WeakPolarHBondContact O-CB 3.12Å; G1375-I1379 WeakPolarHBondContact O-CD1 3.37Å; G1375-I1379 WeakPolarHBondContact O-CG1 3.47Å; G1375-I1379 PolarHBondContact O-N 2.84Å; Y1377-I1379 VanDerWaalsContact C-N 3.31Å |
| 1380 | S | 30 | Very low | 31.2 | Very low | 70 Ų | 70 | 84.2 Ų | 84.2 | 49% | 0.49 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.5 | -58.9 | 174.1 | 67.1 | 0 | 0 | 0 | 0 | 109.4 | R515 H1376 Y1377 R1382 | R515-S1380 PolarHBondContact NH1-O 3.29Å; H1376-S1380 WeakPolarHBondContact O-CB 3.46Å; H1376-S1380 PolarHBondContact O-N 2.96Å; H1376-S1380 PolarHBondContact O-OG 3.03Å; Y1377-S1380 PolarHBondContact O-OG 3.47Å; S1380-R1382 PolarHBondContact O-N 2.85Å |
| 1381 | N | 25.9 | Very low | 31.1 | Very low | 30 Ų | 30 | 84 Ų | 84 | 16% | 0.16 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -76.8 | 41.4 | 171.7 | -48.1 | -85.8 | 0 | 0 | 0 | 111.9 | Y1377 I1378 S1383 L1384 | Y1377-N1381 WeakPolarHBondContact CD2-ND2 3.29Å; Y1377-N1381 WeakPolarHBondContact O-CA 3.49Å; Y1377-N1381 WeakPolarHBondContact O-CB 3.39Å; Y1377-N1381 PolarHBondContact O-N 2.91Å; Y1377-N1381 PolarHBondContact O-ND2 3.49Å; I1378-N1381 CarbonylContact O-C 3.3Å; N1381-S1383 PolarHBondContact O-N 3.08Å; N1381-S1383 VanDerWaalsContact O-N 3.14Å; N1381-L1384 HydrophobicContact CB-CD1 4.49Å; N1381-L1384 WeakPolarHBondContact O-CB 3.28Å; N1381-L1384 PolarHBondContact O-N 3.02Å |
| 1382 | R | 25.9 | Very low | 31 | Very low | 177 Ų | 177 | 85.6 Ų | 85.6 | 67% | 0.668 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -65.1 | -13.9 | 168.9 | -128.6 | 173.8 | -166 | -165.5 | 2.7 | 112 | I1378 S1380 L1384 | I1378-R1382 VanDerWaalsContact O-CA 3.23Å; I1378-R1382 WeakPolarHBondContact O-CA 3.41Å; I1378-R1382 WeakPolarHBondContact O-CB 3.38Å; I1378-R1382 WeakPolarHBondContact O-CG 2.9Å; I1378-R1382 PolarHBondContact O-N 2.88Å; I1378-R1382 VanDerWaalsContact O-N 3.07Å; S1380-R1382 PolarHBondContact O-N 2.85Å; R1382-L1384 PolarHBondContact O-N 3.13Å |
| 1383 | S | 32.2 | Very low | 30.8 | Very low | 65 Ų | 65 | 90.3 Ų | 90.3 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -66.1 | -3.1 | 162.7 | 49 | 0 | 0 | 0 | 0 | 114.4 | N1381 S1385 N1386 T1387 | N1381-S1383 PolarHBondContact O-N 3.08Å; N1381-S1383 VanDerWaalsContact O-N 3.14Å; S1383-S1385 PolarHBondContact O-N 3.26Å; S1383-N1386 CarbonylContact O-C 3.13Å; S1383-N1386 WeakPolarHBondContact O-CA 3.33Å; S1383-N1386 PolarHBondContact O-N 3.49Å; S1383-T1387 PolarHBondContact O-N 3.04Å; S1383-T1387 PolarHBondContact O-OG1 2.89Å |
| 1384 | L | 29.3 | Very low | 30.5 | Very low | 69 Ų | 69 | 89.3 Ų | 89.3 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.1 | -16.9 | -177 | -156.4 | 83.7 | 0 | 0 | 0 | 113.2 | N1381 R1382 N1386 T1387 L1388 | N1381-L1384 HydrophobicContact CB-CD1 4.49Å; N1381-L1384 WeakPolarHBondContact O-CB 3.28Å; N1381-L1384 PolarHBondContact O-N 3.02Å; R1382-L1384 PolarHBondContact O-N 3.13Å; L1384-N1386 VanDerWaalsContact C-N 3.34Å; L1384-T1387 HydrophobicContact CD1-CG2 4.35Å; L1384-T1387 CarbonylContact O-C 3.59Å; L1384-T1387 PolarHBondContact O-N 2.9Å; L1384-L1388 HydrophobicContact CD2-CD1 4.37Å; L1384-L1388 HydrophobicContact CG-CD1 4.43Å; L1384-L1388 WeakPolarHBondContact O-CA 3.45Å; L1384-L1388 VanDerWaalsContact O-CB 3.27Å; L1384-L1388 WeakPolarHBondContact O-CB 3.05Å; L1384-L1388 PolarHBondContact O-N 2.65Å |
| 1385 | S | 33.9 | Very low | 30.3 | Very low | 89 Ų | 89 | 85.8 Ų | 85.8 | 62% | 0.622 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 167.5 | -164.7 | 0 | 0 | 0 | 0 | 111.5 | S1383 D1389 | S1383-S1385 PolarHBondContact O-N 3.26Å; S1385-D1389 WeakPolarHBondContact O-CB 3.32Å; S1385-D1389 PolarHBondContact O-N 3.42Å |
| 1386 | N | 29.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 89.5 Ų | 89.5 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -80.5 | -17.4 | 175.3 | -67 | 7.9 | 0 | 0 | 0 | 112 | S1383 L1384 R1390 | S1383-N1386 CarbonylContact O-C 3.13Å; S1383-N1386 WeakPolarHBondContact O-CA 3.33Å; S1383-N1386 PolarHBondContact O-N 3.49Å; L1384-N1386 VanDerWaalsContact C-N 3.34Å; N1386-R1390 WeakPolarHBondContact O-CB 3.48Å; N1386-R1390 VanDerWaalsContact O-CG 3.23Å; N1386-R1390 WeakPolarHBondContact O-CG 3.49Å; N1386-R1390 PolarHBondContact O-N 3.49Å |
| 1387 | T | 27.7 | Very low | 30 | Very low | 54 Ų | 54 | 85.4 Ų | 85.4 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -85.2 | -26.4 | 169.3 | -38.5 | 0 | 0 | 0 | 0 | 112.3 | S1383 L1384 S1391 | S1383-T1387 PolarHBondContact O-N 3.04Å; S1383-T1387 PolarHBondContact O-OG1 2.89Å; L1384-T1387 HydrophobicContact CD1-CG2 4.35Å; L1384-T1387 CarbonylContact O-C 3.59Å; L1384-T1387 PolarHBondContact O-N 2.9Å; T1387-S1391 WeakPolarHBondContact O-CB 3.24Å; T1387-S1391 PolarHBondContact O-N 3.44Å; T1387-S1391 PolarHBondContact O-OG 3.46Å |
| 1388 | L | 32.7 | Very low | 29.8 | Very low | 81 Ų | 81 | 86.5 Ų | 86.5 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.3 | -47 | 168.9 | -133.7 | 83 | 0 | 0 | 0 | 109.2 | L1384 S1391 E1392 | L1384-L1388 HydrophobicContact CD2-CD1 4.37Å; L1384-L1388 HydrophobicContact CG-CD1 4.43Å; L1384-L1388 WeakPolarHBondContact O-CA 3.45Å; L1384-L1388 VanDerWaalsContact O-CB 3.27Å; L1384-L1388 WeakPolarHBondContact O-CB 3.05Å; L1384-L1388 PolarHBondContact O-N 2.65Å; L1388-S1391 WeakPolarHBondContact CA-OG 3.4Å; L1388-S1391 CarbonylContact O-C 3.58Å; L1388-S1391 PolarHBondContact O-N 2.81Å; L1388-S1391 PolarHBondContact O-OG 3Å; L1388-E1392 WeakPolarHBondContact O-CB 3.22Å; L1388-E1392 PolarHBondContact O-N 2.97Å |
| 1389 | D | 30.5 | Very low | 29.7 | Very low | 60 Ų | 60 | 85.6 Ų | 85.6 | 32% | 0.321 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 172.6 | 176.6 | 50.9 | 0 | 0 | 0 | 111.5 | S1385 E1392 R1393 | S1385-D1389 WeakPolarHBondContact O-CB 3.32Å; S1385-D1389 PolarHBondContact O-N 3.42Å; D1389-E1392 PolarHBondContact O-N 3.1Å; D1389-R1393 VanDerWaalsContact CG-NE 3.25Å; D1389-R1393 WeakPolarHBondContact O-CB 3.26Å; D1389-R1393 WeakPolarHBondContact O-CD 3.41Å; D1389-R1393 WeakPolarHBondContact O-CG 3.34Å; D1389-R1393 PolarHBondContact O-N 3.17Å; D1389-R1393 IonicContact OD1-CZ 3.12Å; D1389-R1393 IonicContact OD1-NE 3.1Å; D1389-R1393 PolarHBondContact OD1-NE 3.34Å; D1389-R1393 IonicContact OD1-NH2 2.77Å; D1389-R1393 PolarHBondContact OD1-NH2 3.39Å; D1389-R1393 IonicContact OD2-CZ 2.71Å; D1389-R1393 IonicContact OD2-NE 3.91Å; D1389-R1393 PolarHBondContact OD2-NE 2.88Å; D1389-R1393 IonicContact OD2-NH2 3.28Å; D1389-R1393 PolarHBondContact OD2-NH2 3.05Å |
| 1390 | R | 27.2 | Very low | 29.5 | Very low | 183 Ų | 183 | 85.5 Ų | 85.5 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.8 | -31.2 | 168.4 | -81.2 | 178.9 | 167.2 | 178.5 | -4.5 | 113.6 | N1386 V1394 | N1386-R1390 WeakPolarHBondContact O-CB 3.48Å; N1386-R1390 VanDerWaalsContact O-CG 3.23Å; N1386-R1390 WeakPolarHBondContact O-CG 3.49Å; N1386-R1390 PolarHBondContact O-N 3.49Å; R1390-V1394 VanDerWaalsContact O-CB 3.26Å; R1390-V1394 WeakPolarHBondContact O-CB 3.44Å; R1390-V1394 VanDerWaalsContact O-CG2 3.22Å; R1390-V1394 WeakPolarHBondContact O-CG2 3.43Å; R1390-V1394 PolarHBondContact O-N 3.46Å |
| 1391 | S | 30.5 | Very low | 29.4 | Very low | 57 Ų | 57 | 84.8 Ų | 84.8 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -78.1 | -28.5 | 174.7 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | T1387 L1388 A1395 | T1387-S1391 WeakPolarHBondContact O-CB 3.24Å; T1387-S1391 PolarHBondContact O-N 3.44Å; T1387-S1391 PolarHBondContact O-OG 3.46Å; L1388-S1391 WeakPolarHBondContact CA-OG 3.4Å; L1388-S1391 CarbonylContact O-C 3.58Å; L1388-S1391 PolarHBondContact O-N 2.81Å; L1388-S1391 PolarHBondContact O-OG 3Å; S1391-A1395 WeakPolarHBondContact O-CA 3.45Å; S1391-A1395 WeakPolarHBondContact O-CB 3.41Å; S1391-A1395 PolarHBondContact O-N 3.33Å |
| 1392 | E | 32.4 | Very low | 29.5 | Very low | 115 Ų | 115 | 87.7 Ų | 87.7 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.9 | -36.3 | 169.6 | -77.8 | -173.4 | 139.6 | 0 | 0 | 109.9 | L1388 D1389 L1396 | L1388-E1392 WeakPolarHBondContact O-CB 3.22Å; L1388-E1392 PolarHBondContact O-N 2.97Å; D1389-E1392 PolarHBondContact O-N 3.1Å; E1392-L1396 WeakPolarHBondContact O-CB 3.48Å; E1392-L1396 WeakPolarHBondContact O-CD1 3.12Å; E1392-L1396 WeakPolarHBondContact O-CG 3.38Å; E1392-L1396 PolarHBondContact O-N 3.01Å |
| 1393 | R | 30.2 | Very low | 29.8 | Very low | 145 Ų | 145 | 85.2 Ų | 85.2 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -51.1 | 169.4 | -71 | 163.7 | -164.1 | -123.8 | 12.9 | 111.7 | D1389 A1395 L1396 T1397 | D1389-R1393 VanDerWaalsContact CG-NE 3.25Å; D1389-R1393 WeakPolarHBondContact O-CB 3.26Å; D1389-R1393 WeakPolarHBondContact O-CD 3.41Å; D1389-R1393 WeakPolarHBondContact O-CG 3.34Å; D1389-R1393 PolarHBondContact O-N 3.17Å; D1389-R1393 IonicContact OD1-CZ 3.12Å; D1389-R1393 IonicContact OD1-NE 3.1Å; D1389-R1393 PolarHBondContact OD1-NE 3.34Å; D1389-R1393 IonicContact OD1-NH2 2.77Å; D1389-R1393 PolarHBondContact OD1-NH2 3.39Å; D1389-R1393 IonicContact OD2-CZ 2.71Å; D1389-R1393 IonicContact OD2-NE 3.91Å; D1389-R1393 PolarHBondContact OD2-NE 2.88Å; D1389-R1393 IonicContact OD2-NH2 3.28Å; D1389-R1393 PolarHBondContact OD2-NH2 3.05Å; R1393-A1395 VanDerWaalsContact C-N 3.33Å; R1393-A1395 PolarHBondContact O-N 3.07Å; R1393-L1396 PolarHBondContact O-N 3.49Å; R1393-T1397 PolarHBondContact O-N 3.46Å; R1393-T1397 PolarHBondContact O-OG1 2.81Å; R1393-T1397 VanDerWaalsContact O-OG1 3.04Å |
| 1394 | V | 28.9 | Very low | 29.6 | Very low | 79 Ų | 79 | 87.7 Ų | 87.7 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 176.9 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | R1390 T1397 L1398 | R1390-V1394 VanDerWaalsContact O-CB 3.26Å; R1390-V1394 WeakPolarHBondContact O-CB 3.44Å; R1390-V1394 VanDerWaalsContact O-CG2 3.22Å; R1390-V1394 WeakPolarHBondContact O-CG2 3.43Å; R1390-V1394 PolarHBondContact O-N 3.46Å; V1394-T1397 PolarHBondContact O-N 2.99Å; V1394-L1398 HydrophobicContact CG1-CD1 3.82Å; V1394-L1398 HydrophobicContact CG1-CG 4.37Å; V1394-L1398 VanDerWaalsContact O-CB 3.28Å; V1394-L1398 WeakPolarHBondContact O-CB 3.16Å; V1394-L1398 WeakPolarHBondContact O-CG 3.3Å; V1394-L1398 PolarHBondContact O-N 3.1Å |
| 1395 | A | 29.9 | Very low | 29.4 | Very low | 24 Ų | 24 | 92.3 Ų | 92.3 | 20% | 0.198 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -74.2 | -27.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1343 S1391 R1393 Q1399 | P1343-A1395 HydrophobicContact CG-CB 4.06Å; S1391-A1395 WeakPolarHBondContact O-CA 3.45Å; S1391-A1395 WeakPolarHBondContact O-CB 3.41Å; S1391-A1395 PolarHBondContact O-N 3.33Å; R1393-A1395 VanDerWaalsContact C-N 3.33Å; R1393-A1395 PolarHBondContact O-N 3.07Å; A1395-Q1399 VanDerWaalsContact O-CB 3.24Å; A1395-Q1399 WeakPolarHBondContact O-CB 3.41Å; A1395-Q1399 VanDerWaalsContact O-CG 3.3Å; A1395-Q1399 WeakPolarHBondContact O-CG 3.12Å; A1395-Q1399 PolarHBondContact O-N 3.22Å |
| 1396 | L | 30.7 | Very low | 29 | Very low | 97 Ų | 97 | 92.9 Ų | 92.9 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.1 | -43.8 | 168.6 | -80.5 | 165.5 | 0 | 0 | 0 | 110.4 | E1392 R1393 L1398 Q1399 L1400 | E1392-L1396 WeakPolarHBondContact O-CB 3.48Å; E1392-L1396 WeakPolarHBondContact O-CD1 3.12Å; E1392-L1396 WeakPolarHBondContact O-CG 3.38Å; E1392-L1396 PolarHBondContact O-N 3.01Å; R1393-L1396 PolarHBondContact O-N 3.49Å; L1396-L1398 VanDerWaalsContact C-N 3.31Å; L1396-L1398 PolarHBondContact O-N 2.96Å; L1396-Q1399 PolarHBondContact O-N 3Å; L1396-L1400 WeakPolarHBondContact O-CB 3.45Å; L1396-L1400 WeakPolarHBondContact O-CD1 3.47Å; L1396-L1400 WeakPolarHBondContact O-CG 3.48Å; L1396-L1400 PolarHBondContact O-N 3.45Å |
| 1397 | T | 27.8 | Very low | 28.7 | Very low | 54 Ų | 54 | 95.1 Ų | 95.1 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 172.1 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | R1393 V1394 S1401 L1692 | R1393-T1397 PolarHBondContact O-N 3.46Å; R1393-T1397 PolarHBondContact O-OG1 2.81Å; R1393-T1397 VanDerWaalsContact O-OG1 3.04Å; V1394-T1397 PolarHBondContact O-N 2.99Å; T1397-S1401 WeakPolarHBondContact O-CB 3.33Å; T1397-S1401 PolarHBondContact O-N 3.48Å; T1397-S1401 PolarHBondContact O-OG 3.31Å; T1397-L1692 HydrophobicContact CG2-CD2 4.5Å |
| 1398 | L | 26.9 | Very low | 28.5 | Very low | 95 Ų | 95 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.3 | -38.3 | 177.4 | -72.6 | 169.2 | 0 | 0 | 0 | 113.4 | V1394 L1396 L1400 S1401 I1402 | V1394-L1398 HydrophobicContact CG1-CD1 3.82Å; V1394-L1398 HydrophobicContact CG1-CG 4.37Å; V1394-L1398 VanDerWaalsContact O-CB 3.28Å; V1394-L1398 WeakPolarHBondContact O-CB 3.16Å; V1394-L1398 WeakPolarHBondContact O-CG 3.3Å; V1394-L1398 PolarHBondContact O-N 3.1Å; L1396-L1398 VanDerWaalsContact C-N 3.31Å; L1396-L1398 PolarHBondContact O-N 2.96Å; L1398-L1400 VanDerWaalsContact C-N 3.34Å; L1398-S1401 WeakPolarHBondContact CA-OG 3.42Å; L1398-S1401 PolarHBondContact O-N 2.81Å; L1398-S1401 PolarHBondContact O-OG 3.48Å; L1398-I1402 VanDerWaalsContact O-CB 3.31Å; L1398-I1402 WeakPolarHBondContact O-CB 3.44Å; L1398-I1402 WeakPolarHBondContact O-CD1 3.19Å; L1398-I1402 WeakPolarHBondContact O-CG1 3.17Å; L1398-I1402 PolarHBondContact O-N 3.43Å |
| 1399 | Q | 29.8 | Very low | 28.1 | Very low | 61 Ų | 61 | 103.4 Ų | 103.4 | 29% | 0.285 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 172.7 | -80.1 | -169.8 | -55.4 | 0 | 0 | 110.9 | A1395 L1396 S1401 I1402 I1403 | A1395-Q1399 VanDerWaalsContact O-CB 3.24Å; A1395-Q1399 WeakPolarHBondContact O-CB 3.41Å; A1395-Q1399 VanDerWaalsContact O-CG 3.3Å; A1395-Q1399 WeakPolarHBondContact O-CG 3.12Å; A1395-Q1399 PolarHBondContact O-N 3.22Å; L1396-Q1399 PolarHBondContact O-N 3Å; Q1399-S1401 VanDerWaalsContact C-N 3.34Å; Q1399-I1402 PolarHBondContact O-N 2.84Å; Q1399-I1403 HydrophobicContact CB-CD1 4.38Å; Q1399-I1403 WeakPolarHBondContact O-CB 3.35Å; Q1399-I1403 WeakPolarHBondContact O-CD1 3.43Å; Q1399-I1403 WeakPolarHBondContact O-CG1 3.44Å; Q1399-I1403 PolarHBondContact O-N 2.93Å |
| 1400 | L | 28.1 | Very low | 27.8 | Very low | 81 Ų | 81 | 110.2 Ų | 110.2 | 42% | 0.424 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.3 | -28.1 | 175.3 | -67.8 | 169.2 | 0 | 0 | 0 | 112.5 | L1396 L1398 L1692 | L1396-L1400 WeakPolarHBondContact O-CB 3.45Å; L1396-L1400 WeakPolarHBondContact O-CD1 3.47Å; L1396-L1400 WeakPolarHBondContact O-CG 3.48Å; L1396-L1400 PolarHBondContact O-N 3.45Å; L1398-L1400 VanDerWaalsContact C-N 3.34Å; L1400-L1692 HydrophobicContact CB-CD1 4.16Å; L1400-L1692 HydrophobicContact CD1-CD1 4.01Å; L1400-L1692 HydrophobicContact CD1-CD2 4.04Å |
| 1401 | S | 27.8 | Very low | 27.6 | Very low | 56 Ų | 56 | 108 Ų | 108 | 39% | 0.392 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -78 | -27.5 | 170.8 | 72.3 | 0 | 0 | 0 | 0 | 113.6 | T1397 L1398 Q1399 F1405 | T1397-S1401 WeakPolarHBondContact O-CB 3.33Å; T1397-S1401 PolarHBondContact O-N 3.48Å; T1397-S1401 PolarHBondContact O-OG 3.31Å; L1398-S1401 WeakPolarHBondContact CA-OG 3.42Å; L1398-S1401 PolarHBondContact O-N 2.81Å; L1398-S1401 PolarHBondContact O-OG 3.48Å; Q1399-S1401 VanDerWaalsContact C-N 3.34Å; S1401-F1405 WeakPolarHBondContact O-CD2 3.14Å |
| 1402 | I | 28.2 | Very low | 27.2 | Very low | 90 Ų | 90 | 114.6 Ų | 114.6 | 46% | 0.462 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -83 | -34.9 | -179.7 | -71.8 | 165.7 | 0 | 0 | 0 | 111.9 | L1398 Q1399 I1404 | L1398-I1402 VanDerWaalsContact O-CB 3.31Å; L1398-I1402 WeakPolarHBondContact O-CB 3.44Å; L1398-I1402 WeakPolarHBondContact O-CD1 3.19Å; L1398-I1402 WeakPolarHBondContact O-CG1 3.17Å; L1398-I1402 PolarHBondContact O-N 3.43Å; Q1399-I1402 PolarHBondContact O-N 2.84Å; I1402-I1404 PolarHBondContact O-N 3.45Å |
| 1403 | I | 31.8 | Very low | 26.6 | Very low | 125 Ų | 125 | 116.2 Ų | 116.2 | 64% | 0.641 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -9.5 | -174.2 | -70.5 | 166.9 | 0 | 0 | 0 | 113.5 | Q1399 | Q1399-I1403 HydrophobicContact CB-CD1 4.38Å; Q1399-I1403 WeakPolarHBondContact O-CB 3.35Å; Q1399-I1403 WeakPolarHBondContact O-CD1 3.43Å; Q1399-I1403 WeakPolarHBondContact O-CG1 3.44Å; Q1399-I1403 PolarHBondContact O-N 2.93Å |
| 1404 | I | 26.8 | Very low | 26.1 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 33.2 | 179.4 | -34.7 | -176.1 | 0 | 0 | 0 | 112.6 | I1402 L1407 | I1402-I1404 PolarHBondContact O-N 3.45Å; I1404-L1407 HydrophobicContact CG2-CD1 4.44Å |
| 1405 | F | 25.5 | Very low | 25.8 | Very low | 166 Ų | 166 | 117.7 Ų | 117.7 | 73% | 0.728 | 62% | 0.619 | S | S | * | * | trans | -93.5 | 129.5 | 143.1 | -81.3 | -98 | 0 | 0 | 0 | 107.6 | S1401 | S1401-F1405 WeakPolarHBondContact O-CD2 3.14Š| ||
| 1406 | P | 25.3 | Very low | 25.4 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | cis | -119.4 | 145.9 | -4.8 | 38 | -24 | 0 | 0 | 0 | 113.9 | ||||
| 1407 | L | 24.4 | Very low | 24.9 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | trans | -128.5 | 24.3 | 159.7 | -81.5 | 173.9 | 0 | 0 | 0 | 112.3 | I1404 N1409 | I1404-L1407 HydrophobicContact CG2-CD1 4.44Å; L1407-N1409 PolarHBondContact O-N 2.87Å | ||
| 1408 | E | 23.3 | Very low | 24.6 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 98.7 | 165.2 | -67.8 | -178.3 | 116.4 | 0 | 0 | 109.7 | ||
| 1409 | N | 23.5 | Very low | 24.4 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.9 | 41.1 | 145.4 | -78.5 | -34 | 0 | 0 | 0 | 112.9 | L1407 | L1407-N1409 PolarHBondContact O-N 2.87Š|
| 1410 | F | 24 | Very low | 24 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 89% | 0.89 | 71% | 0.706 | S | S | * | * | trans | -124.1 | 35.5 | 157.3 | -136.1 | -91.9 | 0 | 0 | 0 | 112.4 | ||||
| 1411 | L | 23.5 | Very low | 23.7 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | -80.2 | 159 | 157.5 | -71.1 | 168.3 | 0 | 0 | 0 | 109.1 | ||||
| 1412 | F | 21.7 | Very low | 23.5 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | 65.9 | 109.3 | -172.3 | -40 | -74 | 0 | 0 | 0 | 112.1 | ||||
| 1413 | T | 21.3 | Very low | 23.3 | Very low | 148 Ų | 148 | 147 Ų | 147 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | -133.9 | 163.9 | 51.5 | 50 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1414 | S | 19.9 | Very low | 22.9 | Very low | 102 Ų | 102 | 149.7 Ų | 149.7 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -104.3 | 148.6 | -171.9 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1415 | N | 21.3 | Very low | 22.7 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | 50.6 | 94.7 | 151.4 | -67.5 | -15.8 | 0 | 0 | 0 | 118.9 | ||||
| 1416 | K | 21.6 | Very low | 22.6 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | 173.4 | 102.3 | 123 | -97.5 | 171 | 178.6 | -179.6 | 0 | 111.4 | I1418 | K1416-I1418 HydrophobicContact CD-CD1 4.16Å; K1416-I1418 HydrophobicContact CG-CD1 4.42Å | |||
| 1417 | C | 21.1 | Very low | 22.3 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 98% | 0.98 | 79% | 0.787 | S | S | * | * | trans | -95.8 | 89.9 | 156.8 | -72.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1418 | I | 21.2 | Very low | 22.2 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 60% | 0.6 | 78% | 0.784 | S | S | * | * | trans | -88.1 | 143.9 | 165.7 | -78.9 | 174.6 | 0 | 0 | 0 | 107.9 | K1416 | K1416-I1418 HydrophobicContact CD-CD1 4.16Å; K1416-I1418 HydrophobicContact CG-CD1 4.42Å | ||
| 1419 | N | 21.7 | Very low | 22 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | 61.4 | 99.9 | 170.6 | -62.5 | -9 | 0 | 0 | 0 | 118.3 | ||||
| 1420 | E | 21.4 | Very low | 21.9 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 55% | 0.547 | 79% | 0.79 | S | S | . | * | -120.2 | 94.7 | 105.8 | -84.2 | -166 | 132.2 | 0 | 0 | 107.8 | S1464 | E1420-S1464 WeakPolarHBondContact OE1-CB 3.23Å; E1420-S1464 PolarHBondContact OE1-OG 2.85Å | |||
| 1421 | N | 22.8 | Very low | 21.7 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -117.1 | 88 | 166 | -107.7 | 6.4 | 0 | 0 | 0 | 106.4 | ||||
| 1422 | L | 23.6 | Very low | 21.6 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -150.2 | 80 | -178.5 | -138.1 | 171.8 | 0 | 0 | 0 | 110.4 | ||||
| 1423 | E | 24.7 | Very low | 21.6 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | 178.8 | 150.9 | 119.2 | -97.6 | -173.5 | -176.4 | 0 | 0 | 110.9 | |||||
| 1424 | K | 22.7 | Very low | 21.5 | Very low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 73 | 141.1 | 176.9 | -57 | 179.2 | -171.5 | 179.6 | 0 | 114.9 | ||||
| 1425 | D | 21.9 | Very low | 21.6 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | cis | -135.6 | -174 | 6.8 | -102.9 | -44 | 0 | 0 | 0 | 112 | ||||
| 1426 | H | 24.7 | Very low | 21.8 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 103.1 | 101.8 | 161.9 | -56.1 | -68.9 | 0 | 0 | 0 | 119.3 | ||||
| 1427 | Y | 18.9 | Very low | 21.9 | Very low | 227 Ų | 227 | 148.1 Ų | 148.1 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -61.6 | 137.2 | 144.5 | -78 | -105.6 | 0 | 0 | 0 | 110.7 | ||||
| 1428 | S | 20.7 | Very low | 22 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | 165.9 | 145.6 | 120.3 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1429 | S | 20.7 | Very low | 22.1 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 64.5 | 151.3 | 178.9 | 81.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1430 | C | 20.8 | Very low | 22.3 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | cis | -145.6 | 176.7 | -7.7 | -136.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1431 | S | 20.4 | Very low | 22.3 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -91.4 | 155.7 | -166.9 | 55.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1432 | N | 19.7 | Very low | 22.4 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -9.9 | 130.8 | 161.7 | -58.7 | -9.6 | 0 | 0 | 0 | 119 | ||||
| 1433 | T | 22.2 | Very low | 22.3 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -140.9 | 163.4 | 143.1 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1434 | T | 20.3 | Very low | 22.4 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -123.3 | 172.7 | -163.6 | 15 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1435 | Y | 20.8 | Very low | 22.4 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | 71.2 | 131.2 | 174.6 | -58 | -79 | 0 | 0 | 0 | 115 | ||||
| 1436 | H | 25.5 | Very low | 22.8 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | -148.2 | 138.9 | 50.6 | -98 | -89.4 | 0 | 0 | 0 | 114.5 | |||||
| 1437 | N | 24.1 | Very low | 22.8 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -90.5 | 145.4 | 152.8 | -75.4 | -24.9 | 0 | 0 | 0 | 108.8 | ||||
| 1438 | N | 23.7 | Very low | 23.1 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -156.9 | 152.1 | 143.9 | -124.4 | -11.6 | 0 | 0 | 0 | 113.4 | ||||
| 1439 | T | 22.1 | Very low | 23.2 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -75.3 | 153 | -173.4 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1440 | N | 25.9 | Very low | 23.4 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | -146.4 | 159.8 | 144.7 | -110.6 | -24.1 | 0 | 0 | 0 | 110.2 | ||||
| 1441 | T | 21.9 | Very low | 23.5 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 63% | 0.632 | 76% | 0.757 | S | S | * | * | trans | -131.2 | 179.3 | -150.9 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1442 | N | 24.7 | Very low | 23.7 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 96 | 94.5 | 154.3 | -60.5 | -5.9 | 0 | 0 | 0 | 120.7 | ||||
| 1443 | T | 22.8 | Very low | 23.8 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 49.2 | 120.4 | 121.2 | 61.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1444 | T | 26.6 | Very low | 23.8 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | 179.7 | 161.3 | 95.2 | 29 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1445 | N | 22.8 | Very low | 23.9 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -75.9 | 153.4 | -164 | -46.4 | -10.7 | 0 | 0 | 0 | 115.6 | ||||
| 1446 | N | 29.6 | Very low | 24.1 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | 179.1 | 101.5 | 109.8 | -92.2 | 1.2 | 0 | 0 | 0 | 113.2 | |||||
| 1447 | D | 24.3 | Very low | 23.9 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 29.5 | 145.6 | 135.1 | -56.7 | -7.4 | 0 | 0 | 0 | 124.5 | ||||
| 1448 | N | 24.5 | Very low | 23.8 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 79.2 | 94.7 | 149.7 | -65.1 | 0.2 | 0 | 0 | 0 | 121.5 | ||||
| 1449 | D | 23.6 | Very low | 23.8 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | 104.8 | 129.7 | 108.6 | -82.6 | -34 | 0 | 0 | 0 | 122 | |||||
| 1450 | N | 24.2 | Very low | 24 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | 67.8 | 131.4 | 157.8 | -67.8 | -57 | 0 | 0 | 0 | 121.4 | ||||
| 1451 | N | 24.5 | Very low | 24 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | cis | -162.5 | 111.5 | -40.4 | -124.2 | -49.5 | 0 | 0 | 0 | 109.8 | ||||
| 1452 | N | 23 | Very low | 24.3 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 45.8 | 145.1 | 139.1 | -75.4 | -54.7 | 0 | 0 | 0 | 124.7 | ||||
| 1453 | S | 22.3 | Very low | 24.3 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | 76 | 136.6 | 155.9 | 76.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1454 | G | 22.3 | Very low | 24.6 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -167.8 | 148 | -6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1455 | Q | 22.9 | Very low | 24.6 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | -74.9 | 143.5 | 174.3 | -58 | 159.6 | -67.4 | 0 | 0 | 110.5 | ||||
| 1456 | V | 24.9 | Very low | 24.7 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -141.2 | 101.9 | 137.6 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1457 | H | 20.8 | Very low | 24.6 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | trans | -124.7 | 116.5 | 161.6 | -104.2 | -74.2 | 0 | 0 | 0 | 106.9 | ||||
| 1458 | H | 22.7 | Very low | 24.7 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 78% | 0.778 | 73% | 0.729 | S | S | * | * | trans | -107.1 | 150.8 | 169.8 | -87.3 | -78.5 | 0 | 0 | 0 | 109.9 | ||||
| 1459 | N | 23.4 | Very low | 24.8 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 135.2 | 174.6 | -61.9 | -31.9 | 0 | 0 | 0 | 109.9 | ||
| 1460 | D | 27.1 | Very low | 25.2 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 158.8 | 164.6 | -85.5 | -47.7 | 0 | 0 | 0 | 111.1 | ||
| 1461 | T | 26 | Very low | 25.5 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 166.5 | -165.1 | 44.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1462 | S | 26.5 | Very low | 25.7 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -88 | 141.4 | -165.4 | 53.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1463 | E | 25 | Very low | 26.2 | Very low | 185 Ų | 185 | 119.4 Ų | 119.4 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | trans | -138.8 | 27.3 | 172.8 | -139.2 | -173.4 | -166.8 | 0 | 0 | 113.6 | G1465 | E1463-G1465 PolarHBondContact O-N 3.29Š| ||
| 1464 | S | 30.6 | Very low | 26.8 | Very low | 58 Ų | 58 | 114.3 Ų | 114.3 | 41% | 0.406 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.1 | -31.8 | -163.6 | 66.4 | 0 | 0 | 0 | 0 | 116.7 | E1420 R1466 S1467 | E1420-S1464 WeakPolarHBondContact OE1-CB 3.23Å; E1420-S1464 PolarHBondContact OE1-OG 2.85Å; S1464-R1466 VanDerWaalsContact C-N 3.26Å; S1464-R1466 PolarHBondContact O-N 3.46Å; S1464-S1467 VanDerWaalsContact O-CB 3.24Å; S1464-S1467 WeakPolarHBondContact O-CB 3.23Å; S1464-S1467 PolarHBondContact O-N 2.85Å; S1464-S1467 PolarHBondContact O-OG 3.36Å |
| 1465 | G | 25.3 | Very low | 27.4 | Very low | 54 Ų | 54 | 114 Ų | 114 | 56% | 0.557 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -19.4 | -160.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | E1463 S1467 | E1463-G1465 PolarHBondContact O-N 3.29Å; G1465-S1467 VanDerWaalsContact C-N 3.32Å |
| 1466 | R | 25.5 | Very low | 28 | Very low | 215 Ų | 215 | 110.2 Ų | 110.2 | 81% | 0.811 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -80.2 | -10.7 | 173.5 | -78 | -176.6 | 176.4 | 144.3 | 3.5 | 114.2 | S1464 | S1464-R1466 VanDerWaalsContact C-N 3.26Å; S1464-R1466 PolarHBondContact O-N 3.46Å |
| 1467 | S | 28.4 | Very low | 28.5 | Very low | 65 Ų | 65 | 105 Ų | 105 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.5 | -41.1 | 177.3 | -43.2 | 0 | 0 | 0 | 0 | 111.2 | S1464 G1465 D1469 L1470 M1471 | S1464-S1467 VanDerWaalsContact O-CB 3.24Å; S1464-S1467 WeakPolarHBondContact O-CB 3.23Å; S1464-S1467 PolarHBondContact O-N 2.85Å; S1464-S1467 PolarHBondContact O-OG 3.36Å; G1465-S1467 VanDerWaalsContact C-N 3.32Å; S1467-D1469 PolarHBondContact O-N 3.25Å; S1467-L1470 PolarHBondContact O-N 3Å; S1467-M1471 WeakPolarHBondContact O-CB 3.4Å; S1467-M1471 VanDerWaalsContact O-CG 3.3Å; S1467-M1471 WeakPolarHBondContact O-CG 3.42Å; S1467-M1471 PolarHBondContact O-N 3.33Å |
| 1468 | A | 26.1 | Very low | 29.3 | Very low | 42 Ų | 42 | 99.8 Ų | 99.8 | 35% | 0.347 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1470 M1471 S1472 | A1468-L1470 PolarHBondContact O-N 3.11Å; A1468-M1471 PolarHBondContact O-N 3.03Å; A1468-S1472 WeakPolarHBondContact O-CB 3.42Å; A1468-S1472 PolarHBondContact O-N 3.45Å |
| 1469 | D | 27.1 | Very low | 30 | Very low | 114 Ų | 114 | 99 Ų | 99 | 61% | 0.61 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.6 | -36.5 | 176.8 | -83.4 | -18.2 | 0 | 0 | 0 | 113.3 | S1467 S1472 I1473 | S1467-D1469 PolarHBondContact O-N 3.25Å; D1469-S1472 WeakPolarHBondContact CA-OG 3.14Å; D1469-S1472 PolarHBondContact O-OG 2.8Å; D1469-S1472 VanDerWaalsContact O-OG 3.05Å; D1469-I1473 WeakPolarHBondContact O-CB 3.28Å; D1469-I1473 WeakPolarHBondContact O-CD1 3.15Å; D1469-I1473 VanDerWaalsContact O-CG1 3.23Å; D1469-I1473 WeakPolarHBondContact O-CG1 3.49Å; D1469-I1473 PolarHBondContact O-N 3.45Å |
| 1470 | L | 30.2 | Very low | 30.5 | Very low | 62 Ų | 62 | 91.9 Ų | 91.9 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72 | -33.2 | 175.9 | -75.9 | 169.6 | 0 | 0 | 0 | 111.5 | S1467 A1468 S1474 L1674 I1679 | S1467-L1470 PolarHBondContact O-N 3Å; A1468-L1470 PolarHBondContact O-N 3.11Å; L1470-S1474 WeakPolarHBondContact O-CB 3.49Å; L1470-S1474 PolarHBondContact O-N 2.94Å; L1470-L1674 HydrophobicContact CD2-CD2 3.93Å; L1470-L1674 HydrophobicContact CD2-CG 4.24Å; L1470-I1679 HydrophobicContact CD2-CD1 4.43Å |
| 1471 | M | 31.3 | Very low | 30.8 | Very low | 133 Ų | 133 | 84.7 Ų | 84.7 | 66% | 0.655 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -73.8 | -38 | 174.4 | -69.4 | -66.2 | -113.4 | 0 | 0 | 112.1 | S1467 A1468 S1474 S1475 | S1467-M1471 WeakPolarHBondContact O-CB 3.4Å; S1467-M1471 VanDerWaalsContact O-CG 3.3Å; S1467-M1471 WeakPolarHBondContact O-CG 3.42Å; S1467-M1471 PolarHBondContact O-N 3.33Å; A1468-M1471 PolarHBondContact O-N 3.03Å; M1471-S1474 PolarHBondContact O-N 2.76Å; M1471-S1475 WeakPolarHBondContact O-CB 3.43Å; M1471-S1475 PolarHBondContact O-N 3.45Å; M1471-S1475 PolarHBondContact O-OG 3.19Å |
| 1472 | S | 29.2 | Very low | 31.3 | Very low | 59 Ų | 59 | 80.6 Ų | 80.6 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 174.6 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | A1468 D1469 S1475 F1476 | A1468-S1472 WeakPolarHBondContact O-CB 3.42Å; A1468-S1472 PolarHBondContact O-N 3.45Å; D1469-S1472 WeakPolarHBondContact CA-OG 3.14Å; D1469-S1472 PolarHBondContact O-OG 2.8Å; D1469-S1472 VanDerWaalsContact O-OG 3.05Å; S1472-S1475 WeakPolarHBondContact CA-OG 3.41Å; S1472-S1475 PolarHBondContact O-OG 3.04Å; S1472-F1476 WeakPolarHBondContact O-CB 3.31Å; S1472-F1476 PolarHBondContact O-N 3.18Å |
| 1473 | I | 32.8 | Very low | 31.6 | Very low | 62 Ų | 62 | 77.9 Ų | 77.9 | 32% | 0.318 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 172.8 | -63.8 | 166.9 | 0 | 0 | 0 | 111.3 | D1469 L1477 L1674 | D1469-I1473 WeakPolarHBondContact O-CB 3.28Å; D1469-I1473 WeakPolarHBondContact O-CD1 3.15Å; D1469-I1473 VanDerWaalsContact O-CG1 3.23Å; D1469-I1473 WeakPolarHBondContact O-CG1 3.49Å; D1469-I1473 PolarHBondContact O-N 3.45Å; I1473-L1477 HydrophobicContact CG2-CD1 3.83Å; I1473-L1477 HydrophobicContact CG2-CG 4.24Å; I1473-L1477 VanDerWaalsContact O-CB 3.25Å; I1473-L1477 WeakPolarHBondContact O-CB 3.37Å; I1473-L1477 WeakPolarHBondContact O-CG 3.36Å; I1473-L1477 PolarHBondContact O-N 2.82Å; I1473-L1674 HydrophobicContact CB-CD2 4.38Å; I1473-L1674 HydrophobicContact CG2-CD1 4.24Å; I1473-L1674 HydrophobicContact CG2-CD2 3.66Å |
| 1474 | S | 35.3 | Very low | 32.2 | Very low | 17 Ų | 17 | 71.4 Ų | 71.4 | 12% | 0.119 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 178.3 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | L1470 M1471 L1477 Q1478 | L1470-S1474 WeakPolarHBondContact O-CB 3.49Å; L1470-S1474 PolarHBondContact O-N 2.94Å; M1471-S1474 PolarHBondContact O-N 2.76Å; S1474-L1477 PolarHBondContact O-N 2.72Å; S1474-Q1478 WeakPolarHBondContact O-CB 3.39Å; S1474-Q1478 PolarHBondContact O-N 3.26Å |
| 1475 | S | 34.7 | Very low | 32.8 | Very low | 70 Ų | 70 | 72 Ų | 72 | 49% | 0.49 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.2 | -37.1 | 176.4 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | M1471 S1472 Q1478 Y1479 | M1471-S1475 WeakPolarHBondContact O-CB 3.43Å; M1471-S1475 PolarHBondContact O-N 3.45Å; M1471-S1475 PolarHBondContact O-OG 3.19Å; S1472-S1475 WeakPolarHBondContact CA-OG 3.41Å; S1472-S1475 PolarHBondContact O-OG 3.04Å; S1475-Q1478 PolarHBondContact O-N 3.02Å; S1475-Y1479 VanDerWaalsContact O-CB 3.23Å; S1475-Y1479 WeakPolarHBondContact O-CB 3.3Å; S1475-Y1479 PolarHBondContact O-N 2.95Å |
| 1476 | F | 34.7 | Very low | 33.3 | Very low | 114 Ų | 114 | 70.8 Ų | 70.8 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 170.3 | 177.3 | -97.4 | 0 | 0 | 0 | 112.6 | S1472 S1480 | S1472-F1476 WeakPolarHBondContact O-CB 3.31Å; S1472-F1476 PolarHBondContact O-N 3.18Å; F1476-S1480 VanDerWaalsContact O-CB 3.24Å; F1476-S1480 WeakPolarHBondContact O-CB 3.35Å; F1476-S1480 PolarHBondContact O-N 2.81Å; F1476-S1480 PolarHBondContact O-OG 3.15Å |
| 1477 | L | 35.5 | Very low | 34.3 | Very low | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 173.9 | -78.5 | 171 | 0 | 0 | 0 | 111.2 | I1473 S1474 S1480 I1481 I1531 I1679 I1683 | I1473-L1477 HydrophobicContact CG2-CD1 3.83Å; I1473-L1477 HydrophobicContact CG2-CG 4.24Å; I1473-L1477 VanDerWaalsContact O-CB 3.25Å; I1473-L1477 WeakPolarHBondContact O-CB 3.37Å; I1473-L1477 WeakPolarHBondContact O-CG 3.36Å; I1473-L1477 PolarHBondContact O-N 2.82Å; S1474-L1477 PolarHBondContact O-N 2.72Å; L1477-S1480 PolarHBondContact O-N 3.36Å; L1477-I1481 WeakPolarHBondContact O-CB 3.18Å; L1477-I1481 WeakPolarHBondContact O-CD1 3.31Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.3Å; L1477-I1481 PolarHBondContact O-N 3.01Å; L1477-I1531 HydrophobicContact CD2-CD1 3.61Å; L1477-I1679 HydrophobicContact CD1-CG2 4.25Å; L1477-I1683 HydrophobicContact CD1-CD1 4.44Å |
| 1478 | Q | 38.5 | Very low | 35.3 | Very low | 78 Ų | 78 | 63.3 Ų | 63.3 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 176.1 | -165.5 | 161.5 | 20.4 | 0 | 0 | 110.3 | S1474 S1475 S1480 I1481 T1482 E1686 | S1474-Q1478 WeakPolarHBondContact O-CB 3.39Å; S1474-Q1478 PolarHBondContact O-N 3.26Å; S1475-Q1478 PolarHBondContact O-N 3.02Å; Q1478-S1480 PolarHBondContact O-N 2.84Å; Q1478-I1481 PolarHBondContact O-N 3.1Å; Q1478-T1482 HydrophobicContact CG-CG2 4.42Å; Q1478-T1482 WeakPolarHBondContact O-CB 3.46Å; Q1478-T1482 VanDerWaalsContact O-CG2 3.25Å; Q1478-T1482 WeakPolarHBondContact O-CG2 3.38Å; Q1478-T1482 PolarHBondContact O-N 3.17Å; Q1478-T1482 PolarHBondContact O-OG1 3.29Å; Q1478-T1482 VanDerWaalsContact O-OG1 3.1Å; Q1478-E1686 PolarHBondContact NE2-OE2 2.81Å |
| 1479 | Y | 37 | Very low | 37.1 | Very low | 151 Ų | 151 | 67.3 Ų | 67.3 | 59% | 0.592 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56 | -49.8 | 171.9 | -173.2 | -98.3 | 0 | 0 | 0 | 112.4 | S1475 I1481 T1482 T1483 | S1475-Y1479 VanDerWaalsContact O-CB 3.23Å; S1475-Y1479 WeakPolarHBondContact O-CB 3.3Å; S1475-Y1479 PolarHBondContact O-N 2.95Å; Y1479-I1481 VanDerWaalsContact C-N 3.33Å; Y1479-I1481 PolarHBondContact O-N 2.86Å; Y1479-T1482 WeakPolarHBondContact CA-OG1 3.35Å; Y1479-T1482 PolarHBondContact O-N 3.05Å; Y1479-T1482 PolarHBondContact O-OG1 2.82Å; Y1479-T1483 HydrophobicContact CD1-CG2 4.22Å; Y1479-T1483 HydrophobicContact CE1-CG2 3.88Å; Y1479-T1483 HydrophobicContact CE2-CG2 4.18Å; Y1479-T1483 WeakPolarHBondContact O-CG2 3.41Å; Y1479-T1483 PolarHBondContact O-N 3.08Å; Y1479-T1483 PolarHBondContact O-OG1 3Å; Y1479-T1483 VanDerWaalsContact O-OG1 3.1Å |
| 1480 | S | 33.5 | Very low | 38.2 | Very low | 12 Ų | 12 | 62.6 Ų | 62.6 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -33.6 | 179.8 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | F1476 L1477 Q1478 T1483 H1484 R1511 | F1476-S1480 VanDerWaalsContact O-CB 3.24Å; F1476-S1480 WeakPolarHBondContact O-CB 3.35Å; F1476-S1480 PolarHBondContact O-N 2.81Å; F1476-S1480 PolarHBondContact O-OG 3.15Å; L1477-S1480 PolarHBondContact O-N 3.36Å; Q1478-S1480 PolarHBondContact O-N 2.84Å; S1480-T1483 PolarHBondContact O-OG1 3.25Å; S1480-H1484 PolarHBondContact O-CD2 3.23Å; S1480-R1511 PolarHBondContact OG-NH1 3.1Å; S1480-R1511 VanDerWaalsContact OG-NH1 3.13Å |
| 1481 | I | 34.9 | Very low | 39.6 | Very low | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -77.3 | -28.8 | 174.3 | -66.2 | 165.8 | 0 | 0 | 0 | 110 | L1477 Q1478 Y1479 I1683 E1686 R1690 | L1477-I1481 WeakPolarHBondContact O-CB 3.18Å; L1477-I1481 WeakPolarHBondContact O-CD1 3.31Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.3Å; L1477-I1481 PolarHBondContact O-N 3.01Å; Q1478-I1481 PolarHBondContact O-N 3.1Å; Y1479-I1481 VanDerWaalsContact C-N 3.33Å; Y1479-I1481 PolarHBondContact O-N 2.86Å; I1481-I1683 HydrophobicContact CD1-CD1 4.46Å; I1481-I1683 HydrophobicContact CD1-CG1 3.96Å; I1481-I1683 HydrophobicContact CD1-CG2 4.43Å; I1481-E1686 HydrophobicContact CB-CG 4.35Å; I1481-E1686 HydrophobicContact CG2-CB 4.47Å; I1481-E1686 HydrophobicContact CG2-CG 3.48Å; I1481-E1686 VanDerWaalsContact CG2-CG 3.48Å; I1481-R1690 WeakPolarHBondContact O-CD 3.37Å; I1481-R1690 VanDerWaalsContact O-CZ 3.29Å; I1481-R1690 PolarHBondContact O-NE 3.19Å; I1481-R1690 PolarHBondContact O-NH1 3.39Å |
| 1482 | T | 35.8 | Very low | 41.2 | Very low | 57 Ų | 57 | 61.7 Ų | 61.7 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -75.3 | -32.4 | 177.5 | 58.1 | 0 | 0 | 0 | 0 | 114 | Q1478 Y1479 R1690 | Q1478-T1482 HydrophobicContact CG-CG2 4.42Å; Q1478-T1482 WeakPolarHBondContact O-CB 3.46Å; Q1478-T1482 VanDerWaalsContact O-CG2 3.25Å; Q1478-T1482 WeakPolarHBondContact O-CG2 3.38Å; Q1478-T1482 PolarHBondContact O-N 3.17Å; Q1478-T1482 PolarHBondContact O-OG1 3.29Å; Q1478-T1482 VanDerWaalsContact O-OG1 3.1Å; Y1479-T1482 WeakPolarHBondContact CA-OG1 3.35Å; Y1479-T1482 PolarHBondContact O-N 3.05Å; Y1479-T1482 PolarHBondContact O-OG1 2.82Å; T1482-R1690 PolarHBondContact O-NH1 2.91Å; T1482-R1690 PolarHBondContact O-NH2 3.25Å; T1482-R1690 VanDerWaalsContact O-NH2 3.16Å |
| 1483 | T | 33 | Very low | 43.3 | Very low | 58 Ų | 58 | 60.8 Ų | 60.8 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -83.4 | -25 | -176.3 | 51.2 | 0 | 0 | 0 | 0 | 115.8 | Y1479 S1480 | Y1479-T1483 HydrophobicContact CD1-CG2 4.22Å; Y1479-T1483 HydrophobicContact CE1-CG2 3.88Å; Y1479-T1483 HydrophobicContact CE2-CG2 4.18Å; Y1479-T1483 WeakPolarHBondContact O-CG2 3.41Å; Y1479-T1483 PolarHBondContact O-N 3.08Å; Y1479-T1483 PolarHBondContact O-OG1 3Å; Y1479-T1483 VanDerWaalsContact O-OG1 3.1Å; S1480-T1483 PolarHBondContact O-OG1 3.25Å |
| 1484 | H | 37.5 | Very low | 45.5 | Very low | 48 Ų | 48 | 59.4 Ų | 59.4 | 22% | 0.222 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -119.1 | 123.6 | -168.5 | -59.2 | -50.7 | 0 | 0 | 0 | 112.7 | S1480 F1508 T1509 D1510 | S1480-H1484 PolarHBondContact O-CD2 3.23Å; H1484-F1508 HydrophobicContact CB-CB 4.36Å; H1484-F1508 WeakPolarHBondContact O-CD1 3.29Å; H1484-T1509 WeakPolarHBondContact CB-OG1 3.22Å; H1484-D1510 IonicContact CD2-OD1 2.65Å; H1484-D1510 IonicContact CG-OD1 2.88Å |
| 1485 | P | 42.4 | Very low | 46.8 | Very low | 71 Ų | 71 | 64.2 Ų | 64.2 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | trans | -77.1 | 153.8 | 179.9 | 29 | -31.9 | 0 | 0 | 0 | 112.8 | F1508 T1509 | P1485-F1508 WeakPolarHBondContact O-CA 3.41Å; P1485-T1509 HydrophobicContact CG-CG2 3.67Å; P1485-T1509 PolarHBondContact O-N 2.98Å | ||
| 1486 | L | 36.7 | Very low | 48.3 | Very low | 29 Ų | 29 | 63.2 Ų | 63.2 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 127.7 | 179.6 | -175.8 | 73.1 | 0 | 0 | 0 | 110.5 | F1489 F1506 F1508 | L1486-F1489 HydrophobicContact CD2-CD1 4.27Å; L1486-F1506 HydrophobicContact CD1-CB 3.85Å; L1486-F1506 HydrophobicContact CD1-CD1 4.18Å; L1486-F1508 HydrophobicContact CB-CD1 4.18Å; L1486-F1508 HydrophobicContact CB-CE1 4.04Å; L1486-F1508 HydrophobicContact CD1-CD1 4.14Å; L1486-F1508 HydrophobicContact CD1-CD2 4.32Å; L1486-F1508 HydrophobicContact CD1-CE1 3.87Å; L1486-F1508 HydrophobicContact CD1-CE2 4.05Å; L1486-F1508 HydrophobicContact CD1-CG 4.37Å; L1486-F1508 HydrophobicContact CD1-CZ 3.82Å |
| 1487 | I | 45.2 | Very low | 49.2 | Very low | 73 Ų | 73 | 69.2 Ų | 69.2 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -39.9 | -178.6 | -67.9 | 174 | 0 | 0 | 0 | 111.3 | L1507 T1509 L1636 | I1487-L1507 HydrophobicContact CG2-CD2 4.44Å; I1487-L1507 PolarHBondContact N-O 3.43Å; I1487-T1509 HydrophobicContact CD1-CG2 3.9Å; I1487-L1636 HydrophobicContact CD1-CD1 3.62Å; I1487-L1636 HydrophobicContact CD1-CD2 3.55Å; I1487-L1636 HydrophobicContact CD1-CG 4.17Å |
| 1488 | H | 50.3 | Low | 50.1 | Low | 50 Ų | 50 | 78.7 Ų | 78.7 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 153.2 | -178.9 | -163.8 | 55.4 | 0 | 0 | 0 | 112.3 | L1507 W1629 | H1488-L1507 HydrophobicContact CB-CB 4.16Å; H1488-L1507 HydrophobicContact CB-CD2 4.25Å; H1488-L1507 PolarHBondContact N-O 3.35Å; H1488-L1507 PolarHBondContact O-N 2.84Å; H1488-W1629 AromaticContact CD2-CD2 3.71Å; H1488-W1629 AromaticContact CD2-CE2 3.32Å; H1488-W1629 AromaticContact CD2-CH2 3.89Å; H1488-W1629 AromaticContact CD2-CZ2 3.44Å; H1488-W1629 VanDerWaalsContact CD2-CZ2 3.44Å; H1488-W1629 WeakPolarHBondContact CD2-CZ2 3.32Å; H1488-W1629 AromaticContact CD2-NE1 3.62Å; H1488-W1629 AromaticContact NE2-CD1 3.89Å; H1488-W1629 AromaticContact NE2-CE2 3.58Å; H1488-W1629 AromaticContact NE2-CZ2 3.92Å; H1488-W1629 AromaticContact NE2-NE1 3.34Å; H1488-W1629 PolarHBondContact NE2-NE1 2.81Å |
| 1489 | F | 63.3 | Low | 50.9 | Low | 125 Ų | 125 | 76.2 Ų | 76.2 | 55% | 0.548 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 150.8 | 171.1 | 76 | -86.6 | 0 | 0 | 0 | 111.2 | L1486 V1505 F1506 | L1486-F1489 HydrophobicContact CD2-CD1 4.27Å; F1489-V1505 CarbonylContact C-O 3.57Å; F1489-V1505 WeakPolarHBondContact CA-O 3.47Å; F1489-F1506 HydrophobicContact CB-CD1 3.84Å; F1489-F1506 HydrophobicContact CB-CE1 4.3Å |
| 1490 | G | 49.8 | Very low | 52.3 | Low | 15 Ų | 15 | 74.1 Ų | 74.1 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | -176.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1505 | G1490-V1505 PolarHBondContact N-O 2.95Å; G1490-V1505 PolarHBondContact O-N 2.87Å |
| 1491 | W | 59.5 | Low | 53.5 | Low | 174 Ų | 174 | 75.8 Ų | 75.8 | 66% | 0.659 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.1 | 178.4 | -71.5 | 90.4 | 0 | 0 | 0 | 110.8 | P1502 R1503 L1504 | W1491-P1502 HydrophobicContact CE3-CB 4.22Å; W1491-R1503 WeakPolarHBondContact CA-O 3.44Å; W1491-L1504 HydrophobicContact CD2-CB 4.49Å; W1491-L1504 HydrophobicContact CD2-CD1 4.43Å; W1491-L1504 HydrophobicContact CE3-CB 4.4Å; W1491-L1504 HydrophobicContact CH2-CB 4.32Å; W1491-L1504 HydrophobicContact CZ2-CB 4.39Å; W1491-L1504 HydrophobicContact CZ2-CD1 4.49Å; W1491-L1504 HydrophobicContact CZ3-CB 4.32Å |
| 1492 | L | 66.6 | Low | 54.6 | Low | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.3 | 174.4 | -64 | -177.4 | 0 | 0 | 0 | 110.8 | K1494 R1503 V1505 F1618 V1620 W1629 | L1492-K1494 PolarHBondContact O-N 3.29Å; L1492-R1503 PolarHBondContact N-O 2.81Å; L1492-R1503 PolarHBondContact O-N 2.91Å; L1492-V1505 HydrophobicContact CB-CG2 3.82Å; L1492-V1505 HydrophobicContact CD1-CB 4.27Å; L1492-V1505 HydrophobicContact CD1-CG1 4.32Å; L1492-V1505 HydrophobicContact CD1-CG2 4Å; L1492-V1505 HydrophobicContact CG-CB 4.43Å; L1492-V1505 HydrophobicContact CG-CG2 4.02Å; L1492-F1618 HydrophobicContact CB-CB 4.46Å; L1492-F1618 HydrophobicContact CB-CD1 3.73Å; L1492-F1618 HydrophobicContact CB-CE1 4.46Å; L1492-F1618 HydrophobicContact CD1-CB 4.27Å; L1492-F1618 HydrophobicContact CD1-CD1 4.01Å; L1492-F1618 HydrophobicContact CD1-CG 4.27Å; L1492-V1620 HydrophobicContact CD2-CG1 4.4Å; L1492-V1620 HydrophobicContact CD2-CG2 3.96Å; L1492-W1629 HydrophobicContact CD1-CD2 3.79Å; L1492-W1629 HydrophobicContact CD1-CE3 3.84Å; L1492-W1629 HydrophobicContact CD1-CG 4.38Å; L1492-W1629 HydrophobicContact CD1-CH2 4.22Å; L1492-W1629 HydrophobicContact CD1-CZ2 4.16Å; L1492-W1629 HydrophobicContact CD1-CZ3 4.05Å; L1492-W1629 HydrophobicContact CD2-CD2 4.07Å; L1492-W1629 HydrophobicContact CD2-CG 4.02Å; L1492-W1629 HydrophobicContact CG-CD2 4.21Å; L1492-W1629 HydrophobicContact CG-CZ2 4.11Å |
| 1493 | N | 71.9 | Confident | 56.2 | Low | 39 Ų | 39 | 77.7 Ų | 77.7 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 100 | 174.3 | -66.7 | -61.8 | 0 | 0 | 0 | 109.7 | Y1495 F1500 Q1501 P1502 F1618 G1619 | N1493-Y1495 PolarHBondContact O-N 3.45Å; N1493-F1500 HydrophobicContact CB-CB 4.11Å; N1493-F1500 HydrophobicContact CB-CD1 4.17Å; N1493-F1500 VanDerWaalsContact O-CD1 3.29Å; N1493-F1500 WeakPolarHBondContact O-CD1 3.32Å; N1493-Q1501 CarbonylContact C-O 3.54Å; N1493-Q1501 WeakPolarHBondContact CA-O 3.29Å; N1493-P1502 WeakPolarHBondContact OD1-CA 3.3Å; N1493-F1618 CarbonylContact O-C 3.56Å; N1493-F1618 WeakPolarHBondContact O-CA 3.3Å; N1493-G1619 WeakPolarHBondContact CB-O 3.32Å; N1493-G1619 PolarHBondContact N-O 2.87Å; N1493-G1619 PolarHBondContact O-N 3.1Å |
| 1494 | K | 79.5 | Confident | 57.6 | Low | 33 Ų | 33 | 76.1 Ų | 76.1 | 14% | 0.143 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 128 | 176.1 | -165.9 | -161.2 | 174.2 | -172.3 | 0 | 110.6 | L1492 Q1501 R1503 Y1514 F1618 | L1492-K1494 PolarHBondContact O-N 3.29Å; K1494-Q1501 PolarHBondContact N-O 3.14Å; K1494-Q1501 PolarHBondContact O-N 3.03Å; K1494-R1503 HydrophobicContact CB-CG 3.78Å; K1494-Y1514 HydrophobicContact CD-CD2 4.31Å; K1494-Y1514 HydrophobicContact CD-CE2 3.64Å; K1494-Y1514 PolarHBondContact NZ-OH 3.1Å; K1494-F1618 HydrophobicContact CB-CD1 3.79Å; K1494-F1618 HydrophobicContact CB-CE1 3.63Å; K1494-F1618 HydrophobicContact CB-CZ 4.36Å; K1494-F1618 HydrophobicContact CD-CE1 4.33Å; K1494-F1618 HydrophobicContact CD-CZ 4.27Å; K1494-F1618 HydrophobicContact CG-CD1 3.98Å; K1494-F1618 HydrophobicContact CG-CE1 3.65Å; K1494-F1618 HydrophobicContact CG-CE2 4.39Å; K1494-F1618 HydrophobicContact CG-CZ 3.88Å |
| 1495 | Y | 63.8 | Low | 58.9 | Low | 119 Ų | 119 | 73.9 Ų | 73.9 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 147.3 | 170 | -162.8 | -113.4 | 0 | 0 | 0 | 111.8 | N1493 F1500 I1617 | N1493-Y1495 PolarHBondContact O-N 3.45Å; Y1495-F1500 AromaticContact CD2-CD1 3.97Å; Y1495-F1500 HydrophobicContact CD2-CD1 3.97Å; Y1495-F1500 AromaticContact CD2-CD2 3.95Å; Y1495-F1500 HydrophobicContact CD2-CD2 3.95Å; Y1495-F1500 AromaticContact CD2-CE1 3.87Å; Y1495-F1500 HydrophobicContact CD2-CE1 3.87Å; Y1495-F1500 AromaticContact CD2-CE2 3.84Å; Y1495-F1500 HydrophobicContact CD2-CE2 3.84Å; Y1495-F1500 HydrophobicContact CD2-CG 4.02Å; Y1495-F1500 AromaticContact CD2-CZ 3.81Å; Y1495-F1500 HydrophobicContact CD2-CZ 3.81Å; Y1495-F1500 HydrophobicContact CE2-CD2 4.4Å; Y1495-F1500 HydrophobicContact CE2-CE2 4.26Å; Y1495-F1500 HydrophobicContact CG-CE1 4.27Å; Y1495-F1500 HydrophobicContact CG-CZ 4.45Å; Y1495-I1617 WeakPolarHBondContact CB-O 3.42Å; Y1495-I1617 HydrophobicContact CD1-CD1 4.17Å; Y1495-I1617 PolarHBondContact N-O 3.06Å |
| 1496 | S | 64.9 | Low | 59.9 | Low | 48 Ų | 48 | 71 Ų | 71 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 173.1 | -172.3 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | R1498 G1499 | S1496-R1498 PolarHBondContact O-N 2.93Å; S1496-G1499 WeakPolarHBondContact CB-O 3.44Å; S1496-G1499 PolarHBondContact N-O 3.29Å; S1496-G1499 PolarHBondContact O-N 3.05Å |
| 1497 | R | 53.4 | Low | 61.2 | Low | 240 Ų | 240 | 69.6 Ų | 69.6 | 91% | 0.906 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -1.2 | 172 | -63.2 | -170 | -172.5 | 178.4 | 3.9 | 114.3 | ||
| 1498 | R | 54.1 | Low | 62.1 | Low | 216 Ų | 216 | 66.8 Ų | 66.8 | 82% | 0.815 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | 32.4 | 173.7 | -62.5 | -176.3 | 178.5 | 177.9 | -1.9 | 110.9 | S1496 | S1496-R1498 PolarHBondContact O-N 2.93Š|
| 1499 | G | 56.2 | Low | 62.3 | Low | 26 Ų | 26 | 66.8 Ų | 66.8 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.1 | -157.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1496 | S1496-G1499 WeakPolarHBondContact CB-O 3.44Å; S1496-G1499 PolarHBondContact N-O 3.29Å; S1496-G1499 PolarHBondContact O-N 3.05Å |
| 1500 | F | 66.3 | Low | 62 | Low | 107 Ų | 107 | 63 Ų | 63 | 47% | 0.469 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 132.4 | -179.8 | -77 | -67.8 | 0 | 0 | 0 | 112.6 | N1493 Y1495 I1617 | N1493-F1500 HydrophobicContact CB-CB 4.11Å; N1493-F1500 HydrophobicContact CB-CD1 4.17Å; N1493-F1500 VanDerWaalsContact O-CD1 3.29Å; N1493-F1500 WeakPolarHBondContact O-CD1 3.32Å; Y1495-F1500 AromaticContact CD2-CD1 3.97Å; Y1495-F1500 HydrophobicContact CD2-CD1 3.97Å; Y1495-F1500 AromaticContact CD2-CD2 3.95Å; Y1495-F1500 HydrophobicContact CD2-CD2 3.95Å; Y1495-F1500 AromaticContact CD2-CE1 3.87Å; Y1495-F1500 HydrophobicContact CD2-CE1 3.87Å; Y1495-F1500 AromaticContact CD2-CE2 3.84Å; Y1495-F1500 HydrophobicContact CD2-CE2 3.84Å; Y1495-F1500 HydrophobicContact CD2-CG 4.02Å; Y1495-F1500 AromaticContact CD2-CZ 3.81Å; Y1495-F1500 HydrophobicContact CD2-CZ 3.81Å; Y1495-F1500 HydrophobicContact CE2-CD2 4.4Å; Y1495-F1500 HydrophobicContact CE2-CE2 4.26Å; Y1495-F1500 HydrophobicContact CG-CE1 4.27Å; Y1495-F1500 HydrophobicContact CG-CZ 4.45Å; F1500-I1617 HydrophobicContact CE1-CG2 4.24Å; F1500-I1617 HydrophobicContact CZ-CG2 4.4Å |
| 1501 | Q | 59.6 | Low | 62.6 | Low | 47 Ų | 47 | 64.4 Ų | 64.4 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.7 | -177.4 | -63.3 | -172.6 | -21.9 | 0 | 0 | 111.6 | N1493 K1494 R1503 | N1493-Q1501 CarbonylContact C-O 3.54Å; N1493-Q1501 WeakPolarHBondContact CA-O 3.29Å; K1494-Q1501 PolarHBondContact N-O 3.14Å; K1494-Q1501 PolarHBondContact O-N 3.03Å; Q1501-R1503 PolarHBondContact O-N 3.14Å |
| 1502 | P | 56.2 | Low | 63.3 | Low | 81 Ų | 81 | 56.1 Ų | 56.1 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 133.4 | -179.4 | 25.3 | -34.2 | 0 | 0 | 0 | 111.9 | W1491 N1493 | W1491-P1502 HydrophobicContact CE3-CB 4.22Å; N1493-P1502 WeakPolarHBondContact OD1-CA 3.3Å |
| 1503 | R | 69.8 | Low | 63.1 | Low | 30 Ų | 30 | 56.8 Ų | 56.8 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.5 | 177.8 | -57.9 | -59.9 | 169.8 | 148.9 | -2.4 | 109.4 | W1491 L1492 K1494 Q1501 V1505 Y1514 T1515 H1529 | W1491-R1503 WeakPolarHBondContact CA-O 3.44Å; L1492-R1503 PolarHBondContact N-O 2.81Å; L1492-R1503 PolarHBondContact O-N 2.91Å; K1494-R1503 HydrophobicContact CB-CG 3.78Å; Q1501-R1503 PolarHBondContact O-N 3.14Å; R1503-V1505 HydrophobicContact CB-CG2 4.17Å; R1503-Y1514 HydrophobicContact CB-CD2 4.22Å; R1503-Y1514 HydrophobicContact CG-CD2 3.93Å; R1503-T1515 WeakPolarHBondContact CD-O 2.89Å; R1503-H1529 PolarHBondContact NH1-CD2 2.8Å; R1503-H1529 PolarHBondContact NH1-CE1 3.46Å; R1503-H1529 PolarHBondContact NH1-ND1 3.04Å; R1503-H1529 VanDerWaalsContact NH1-ND1 3.1Å; R1503-H1529 PolarHBondContact NH1-NE2 3.05Å; R1503-H1529 VanDerWaalsContact NH1-NE2 3.15Å |
| 1504 | L | 62 | Low | 62.9 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.131 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.6 | 168.4 | 180 | 67.9 | 0 | 0 | 0 | 107.3 | W1491 F1506 T1515 L1526 | W1491-L1504 HydrophobicContact CD2-CB 4.49Å; W1491-L1504 HydrophobicContact CD2-CD1 4.43Å; W1491-L1504 HydrophobicContact CE3-CB 4.4Å; W1491-L1504 HydrophobicContact CH2-CB 4.32Å; W1491-L1504 HydrophobicContact CZ2-CB 4.39Å; W1491-L1504 HydrophobicContact CZ2-CD1 4.49Å; W1491-L1504 HydrophobicContact CZ3-CB 4.32Å; L1504-F1506 HydrophobicContact CD2-CE2 4.02Å; L1504-F1506 HydrophobicContact CD2-CZ 3.69Å; L1504-F1506 HydrophobicContact CG-CE2 3.96Å; L1504-F1506 HydrophobicContact CG-CZ 3.93Å; L1504-T1515 PolarHBondContact N-O 2.8Å; L1504-T1515 PolarHBondContact O-N 2.94Å; L1504-T1515 PolarHBondContact O-OG1 2.88Å; L1504-L1526 HydrophobicContact CD2-CD1 3.9Å; L1504-L1526 HydrophobicContact CD2-CD2 4.05Å |
| 1505 | V | 66.3 | Low | 62 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139 | -172.3 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | F1489 G1490 L1492 R1503 L1512 I1513 F1618 W1629 | F1489-V1505 CarbonylContact C-O 3.57Å; F1489-V1505 WeakPolarHBondContact CA-O 3.47Å; G1490-V1505 PolarHBondContact N-O 2.95Å; G1490-V1505 PolarHBondContact O-N 2.87Å; L1492-V1505 HydrophobicContact CB-CG2 3.82Å; L1492-V1505 HydrophobicContact CD1-CB 4.27Å; L1492-V1505 HydrophobicContact CD1-CG1 4.32Å; L1492-V1505 HydrophobicContact CD1-CG2 4Å; L1492-V1505 HydrophobicContact CG-CB 4.43Å; L1492-V1505 HydrophobicContact CG-CG2 4.02Å; R1503-V1505 HydrophobicContact CB-CG2 4.17Å; V1505-L1512 HydrophobicContact CG1-CD1 4.28Å; V1505-L1512 HydrophobicContact CG1-CD2 3.56Å; V1505-L1512 HydrophobicContact CG1-CG 3.76Å; V1505-I1513 WeakPolarHBondContact CA-O 3.32Å; V1505-F1618 HydrophobicContact CG2-CE1 4.27Å; V1505-W1629 HydrophobicContact CB-CH2 3.73Å; V1505-W1629 HydrophobicContact CB-CZ2 4.3Å; V1505-W1629 HydrophobicContact CB-CZ3 4.39Å; V1505-W1629 HydrophobicContact CG1-CH2 3.66Å; V1505-W1629 HydrophobicContact CG1-CZ3 3.86Å |
| 1506 | F | 63.3 | Low | 61.4 | Low | 11 Ų | 11 | 49.9 Ų | 49.9 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.2 | 176.6 | -56.6 | -89.4 | 0 | 0 | 0 | 108.2 | L1486 F1489 L1504 F1508 I1513 T1515 L1526 I1687 | L1486-F1506 HydrophobicContact CD1-CB 3.85Å; L1486-F1506 HydrophobicContact CD1-CD1 4.18Å; F1489-F1506 HydrophobicContact CB-CD1 3.84Å; F1489-F1506 HydrophobicContact CB-CE1 4.3Å; L1504-F1506 HydrophobicContact CD2-CE2 4.02Å; L1504-F1506 HydrophobicContact CD2-CZ 3.69Å; L1504-F1506 HydrophobicContact CG-CE2 3.96Å; L1504-F1506 HydrophobicContact CG-CZ 3.93Å; F1506-F1508 HydrophobicContact CB-CD2 4.32Å; F1506-F1508 HydrophobicContact CB-CE2 3.62Å; F1506-F1508 HydrophobicContact CB-CZ 4.26Å; F1506-I1513 HydrophobicContact CB-CB 4.5Å; F1506-I1513 PolarHBondContact N-O 3.35Å; F1506-I1513 PolarHBondContact O-N 3.12Å; F1506-T1515 HydrophobicContact CD2-CG2 4.29Å; F1506-T1515 HydrophobicContact CE2-CG2 4.01Å; F1506-L1526 HydrophobicContact CE2-CD1 4.19Å; F1506-L1526 HydrophobicContact CZ-CD1 4.03Å; F1506-I1687 HydrophobicContact CE1-CD1 4.41Å; F1506-I1687 HydrophobicContact CE1-CG2 4.14Å; F1506-I1687 HydrophobicContact CE2-CD1 4.47Å; F1506-I1687 HydrophobicContact CZ-CD1 4.24Å |
| 1507 | L | 64.4 | Low | 60.4 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 111 | 179.3 | -174 | 69.2 | 0 | 0 | 0 | 108.4 | I1487 H1488 L1512 L1534 W1629 N1632 I1633 L1636 | I1487-L1507 HydrophobicContact CG2-CD2 4.44Å; I1487-L1507 PolarHBondContact N-O 3.43Å; H1488-L1507 HydrophobicContact CB-CB 4.16Å; H1488-L1507 HydrophobicContact CB-CD2 4.25Å; H1488-L1507 PolarHBondContact N-O 3.35Å; H1488-L1507 PolarHBondContact O-N 2.84Å; L1507-L1512 HydrophobicContact CD1-CB 4.05Å; L1507-L1512 HydrophobicContact CD1-CD1 4.31Å; L1507-L1512 HydrophobicContact CD1-CG 4.35Å; L1507-L1534 HydrophobicContact CD1-CD1 3.78Å; L1507-W1629 HydrophobicContact CB-CZ3 4.06Å; L1507-N1632 HydrophobicContact CD2-CB 3.74Å; L1507-I1633 HydrophobicContact CD1-CG1 3.96Å; L1507-I1633 HydrophobicContact CD2-CG1 3.98Å; L1507-L1636 HydrophobicContact CD1-CD1 4.15Å; L1507-L1636 HydrophobicContact CD2-CD1 3.97Å; L1507-L1636 HydrophobicContact CG-CD1 3.89Å |
| 1508 | F | 63.2 | Low | 59.7 | Low | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.057 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 169.7 | 172.9 | -60 | -93.6 | 0 | 0 | 0 | 109.7 | H1484 P1485 L1486 F1506 D1510 R1511 I1513 | H1484-F1508 HydrophobicContact CB-CB 4.36Å; H1484-F1508 WeakPolarHBondContact O-CD1 3.29Å; P1485-F1508 WeakPolarHBondContact O-CA 3.41Å; L1486-F1508 HydrophobicContact CB-CD1 4.18Å; L1486-F1508 HydrophobicContact CB-CE1 4.04Å; L1486-F1508 HydrophobicContact CD1-CD1 4.14Å; L1486-F1508 HydrophobicContact CD1-CD2 4.32Å; L1486-F1508 HydrophobicContact CD1-CE1 3.87Å; L1486-F1508 HydrophobicContact CD1-CE2 4.05Å; L1486-F1508 HydrophobicContact CD1-CG 4.37Å; L1486-F1508 HydrophobicContact CD1-CZ 3.82Å; F1506-F1508 HydrophobicContact CB-CD2 4.32Å; F1506-F1508 HydrophobicContact CB-CE2 3.62Å; F1506-F1508 HydrophobicContact CB-CZ 4.26Å; F1508-D1510 PolarHBondContact O-N 3.3Å; F1508-D1510 VanDerWaalsContact O-N 3.08Å; F1508-R1511 PolarHBondContact N-O 3.17Å; F1508-R1511 PolarHBondContact O-N 3.26Å; F1508-I1513 HydrophobicContact CD2-CD1 3.96Å; F1508-I1513 HydrophobicContact CD2-CG1 4.02Å; F1508-I1513 HydrophobicContact CE2-CB 4.37Å; F1508-I1513 HydrophobicContact CE2-CD1 3.67Å; F1508-I1513 HydrophobicContact CE2-CG1 3.99Å |
| 1509 | T | 54.8 | Low | 58.8 | Low | 51 Ų | 51 | 44.7 Ų | 44.7 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -49.1 | -36.1 | -176.7 | 43.7 | 0 | 0 | 0 | 0 | 115.6 | H1484 P1485 I1487 | H1484-T1509 WeakPolarHBondContact CB-OG1 3.22Å; P1485-T1509 HydrophobicContact CG-CG2 3.67Å; P1485-T1509 PolarHBondContact O-N 2.98Å; I1487-T1509 HydrophobicContact CD1-CG2 3.9Å |
| 1510 | D | 55.8 | Low | 57.9 | Low | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -121.5 | -6.4 | -177.6 | 75.7 | -39.4 | 0 | 0 | 0 | 113.6 | H1484 F1508 T1533 L1534 | H1484-D1510 IonicContact CD2-OD1 2.65Å; H1484-D1510 IonicContact CG-OD1 2.88Å; F1508-D1510 PolarHBondContact O-N 3.3Å; F1508-D1510 VanDerWaalsContact O-N 3.08Å; D1510-T1533 CarbonylContact O-C 3.53Å; D1510-T1533 WeakPolarHBondContact O-CA 3.07Å; D1510-L1534 PolarHBondContact O-N 3.07Å |
| 1511 | R | 63.1 | Low | 56.1 | Low | 44 Ų | 44 | 45.3 Ų | 45.3 | 17% | 0.166 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 132.2 | -164.2 | -77.3 | 164.9 | -154.5 | -162 | 11.1 | 113.7 | S1480 F1508 I1531 I1532 T1533 | S1480-R1511 PolarHBondContact OG-NH1 3.1Å; S1480-R1511 VanDerWaalsContact OG-NH1 3.13Å; F1508-R1511 PolarHBondContact N-O 3.17Å; F1508-R1511 PolarHBondContact O-N 3.26Å; R1511-I1531 HydrophobicContact CB-CG2 4.14Å; R1511-I1531 HydrophobicContact CG-CG2 3.87Å; R1511-I1532 CarbonylContact C-O 3.59Å; R1511-I1532 VanDerWaalsContact CA-O 3.31Å; R1511-I1532 WeakPolarHBondContact CA-O 3.45Å; R1511-T1533 HydrophobicContact CG-CG2 4.07Å |
| 1512 | L | 74.6 | Confident | 54.8 | Low | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.5 | 166.5 | -174.2 | 160.6 | 0 | 0 | 0 | 109.6 | V1505 L1507 Y1514 I1532 L1534 L1564 F1618 I1633 | V1505-L1512 HydrophobicContact CG1-CD1 4.28Å; V1505-L1512 HydrophobicContact CG1-CD2 3.56Å; V1505-L1512 HydrophobicContact CG1-CG 3.76Å; L1507-L1512 HydrophobicContact CD1-CB 4.05Å; L1507-L1512 HydrophobicContact CD1-CD1 4.31Å; L1507-L1512 HydrophobicContact CD1-CG 4.35Å; L1512-Y1514 HydrophobicContact CD2-CD1 4.38Å; L1512-I1532 HydrophobicContact CD2-CD1 4.49Å; L1512-I1532 PolarHBondContact N-O 2.84Å; L1512-I1532 PolarHBondContact O-N 3.13Å; L1512-L1534 HydrophobicContact CB-CD2 4.05Å; L1512-L1564 HydrophobicContact CD1-CD2 4.13Å; L1512-F1618 HydrophobicContact CD2-CZ 4.39Å; L1512-I1633 HydrophobicContact CD1-CD1 4.13Å |
| 1513 | I | 61.2 | Low | 53.6 | Low | 16 Ų | 16 | 45.1 Ų | 45.1 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.6 | 179 | -52.9 | -169.3 | 0 | 0 | 0 | 108.8 | V1505 F1506 F1508 T1515 L1528 I1531 | V1505-I1513 WeakPolarHBondContact CA-O 3.32Å; F1506-I1513 HydrophobicContact CB-CB 4.5Å; F1506-I1513 PolarHBondContact N-O 3.35Å; F1506-I1513 PolarHBondContact O-N 3.12Å; F1508-I1513 HydrophobicContact CD2-CD1 3.96Å; F1508-I1513 HydrophobicContact CD2-CG1 4.02Å; F1508-I1513 HydrophobicContact CE2-CB 4.37Å; F1508-I1513 HydrophobicContact CE2-CD1 3.67Å; F1508-I1513 HydrophobicContact CE2-CG1 3.99Å; I1513-T1515 HydrophobicContact CG2-CG2 4.37Å; I1513-L1528 HydrophobicContact CG2-CD1 3.58Å; I1513-L1528 HydrophobicContact CG2-CG 4.34Å; I1513-I1531 HydrophobicContact CD1-CD1 4.21Å; I1513-I1531 HydrophobicContact CD1-CG1 4.02Å; I1513-I1531 HydrophobicContact CG1-CB 4.44Å; I1513-I1531 HydrophobicContact CG1-CG1 4Å; I1513-I1531 HydrophobicContact CG1-CG2 4.2Å; I1513-I1531 HydrophobicContact CG2-CG1 4.26Å |
| 1514 | Y | 69.4 | Low | 52 | Low | 11 Ų | 11 | 47.5 Ų | 47.5 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.9 | 174.4 | 75.5 | -85.8 | 0 | 0 | 0 | 113.3 | K1494 R1503 L1512 H1529 A1530 I1532 F1618 | K1494-Y1514 HydrophobicContact CD-CD2 4.31Å; K1494-Y1514 HydrophobicContact CD-CE2 3.64Å; K1494-Y1514 PolarHBondContact NZ-OH 3.1Å; R1503-Y1514 HydrophobicContact CB-CD2 4.22Å; R1503-Y1514 HydrophobicContact CG-CD2 3.93Å; L1512-Y1514 HydrophobicContact CD2-CD1 4.38Å; Y1514-H1529 HydrophobicContact CD2-CB 3.73Å; Y1514-H1529 HydrophobicContact CE2-CB 3.27Å; Y1514-H1529 PolarHBondContact O-N 3.34Å; Y1514-H1529 PolarHBondContact OH-O 2.95Å; Y1514-A1530 HydrophobicContact CD1-CB 4.31Å; Y1514-A1530 HydrophobicContact CE1-CB 3.53Å; Y1514-A1530 PolarHBondContact N-O 3.29Å; Y1514-A1530 VanDerWaalsContact N-O 3.13Å; Y1514-A1530 PolarHBondContact O-N 3.36Å; Y1514-I1532 HydrophobicContact CD1-CD1 4.49Å; Y1514-I1532 HydrophobicContact CE1-CD1 4.23Å; Y1514-F1618 HydrophobicContact CD1-CZ 4.1Å; Y1514-F1618 HydrophobicContact CG-CZ 4.33Å |
| 1515 | T | 59.5 | Low | 50.7 | Low | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 172.1 | -168 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | R1503 L1504 F1506 I1513 L1526 K1527 L1528 | R1503-T1515 WeakPolarHBondContact CD-O 2.89Å; L1504-T1515 PolarHBondContact N-O 2.8Å; L1504-T1515 PolarHBondContact O-N 2.94Å; L1504-T1515 PolarHBondContact O-OG1 2.88Å; F1506-T1515 HydrophobicContact CD2-CG2 4.29Å; F1506-T1515 HydrophobicContact CE2-CG2 4.01Å; I1513-T1515 HydrophobicContact CG2-CG2 4.37Å; T1515-L1526 HydrophobicContact CG2-CB 4.5Å; T1515-K1527 CarbonylContact C-O 3.59Å; T1515-K1527 WeakPolarHBondContact CA-O 3.39Å; T1515-K1527 VanDerWaalsContact CB-O 3.27Å; T1515-K1527 WeakPolarHBondContact CB-O 3.27Å; T1515-L1528 HydrophobicContact CG2-CD1 4.27Å |
| 1516 | S | 50.5 | Low | 49.7 | Very low | 31 Ų | 31 | 48.2 Ų | 48.2 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 142.2 | 160.9 | 73.1 | 0 | 0 | 0 | 0 | 110.1 | I1518 K1527 H1529 | S1516-I1518 PolarHBondContact O-N 3.48Å; S1516-K1527 PolarHBondContact N-O 3.41Å; S1516-K1527 WeakPolarHBondContact O-CA 3.42Å; S1516-K1527 WeakPolarHBondContact O-CB 3.41Å; S1516-K1527 PolarHBondContact O-N 2.87Å; S1516-H1529 PolarHBondContact OG-NE2 3.34Å |
| 1517 | R | 44.8 | Very low | 48.9 | Very low | 128 Ų | 128 | 51 Ų | 51 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 130.6 | 176.1 | -165.9 | 174.8 | -177.9 | 173.4 | 1.5 | 112.5 | R1519 G1523 Y1525 | R1517-R1519 PolarHBondContact O-N 3.47Å; R1517-G1523 PolarHBondContact NH2-O 3.16Å; R1517-Y1525 CarbonylContact C-O 3.58Å; R1517-Y1525 VanDerWaalsContact CA-O 3.29Å; R1517-Y1525 WeakPolarHBondContact CA-O 3.37Å; R1517-Y1525 WeakPolarHBondContact CG-O 3.5Å |
| 1518 | I | 39.6 | Very low | 47.9 | Very low | 39 Ų | 39 | 53.3 Ų | 53.3 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 123.3 | 168 | -59.3 | 176 | 0 | 0 | 0 | 107.2 | S1516 V1521 Y1525 K1527 T1680 | S1516-I1518 PolarHBondContact O-N 3.48Å; I1518-V1521 HydrophobicContact CG2-CG2 3.75Å; I1518-Y1525 PolarHBondContact N-O 2.69Å; I1518-K1527 HydrophobicContact CD1-CB 4.36Å; I1518-K1527 HydrophobicContact CG1-CB 3.68Å; I1518-K1527 HydrophobicContact CG1-CG 4.49Å; I1518-T1680 HydrophobicContact CD1-CG2 4.21Å |
| 1519 | R | 34.5 | Very low | 47.7 | Very low | 228 Ų | 228 | 54.5 Ų | 54.5 | 86% | 0.86 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 135.1 | 173.4 | -61.9 | -178.4 | 179.1 | -168.7 | -3.3 | 108.7 | R1517 | R1517-R1519 PolarHBondContact O-N 3.47Š|
| 1520 | G | 36.3 | Very low | 47.7 | Very low | 87 Ų | 87 | 52.8 Ų | 52.8 | 90% | 0.897 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | 12.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1521 | V | 30.1 | Very low | 47.9 | Very low | 58 Ų | 58 | 53.4 Ų | 53.4 | 35% | 0.352 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -121.2 | 137.6 | 173.3 | -162.8 | 0 | 0 | 0 | 0 | 109.8 | I1518 G1523 Y1525 | I1518-V1521 HydrophobicContact CG2-CG2 3.75Å; V1521-G1523 PolarHBondContact O-N 3.1Å; V1521-Y1525 HydrophobicContact CB-CD2 3.7Å; V1521-Y1525 HydrophobicContact CB-CE2 4Å; V1521-Y1525 HydrophobicContact CB-CG 4.31Å; V1521-Y1525 HydrophobicContact CG1-CD2 3.57Å; V1521-Y1525 HydrophobicContact CG1-CE1 4.5Å; V1521-Y1525 HydrophobicContact CG1-CE2 3.34Å; V1521-Y1525 HydrophobicContact CG1-CG 4.26Å |
| 1522 | A | 30.6 | Very low | 48.1 | Very low | 93 Ų | 93 | 52.2 Ų | 52.2 | 77% | 0.769 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -72.4 | 83.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1523 | G | 31.3 | Very low | 47.7 | Very low | 31 Ų | 31 | 55.4 Ų | 55.4 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 162.1 | -172.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1517 V1521 Y1525 | R1517-G1523 PolarHBondContact NH2-O 3.16Å; V1521-G1523 PolarHBondContact O-N 3.1Å; G1523-Y1525 PolarHBondContact O-N 3.26Å |
| 1524 | L | 36 | Very low | 47.7 | Very low | 80 Ų | 80 | 54.7 Ų | 54.7 | 42% | 0.419 | 31% | 0.307 | S | S | . | . | trans | -99.2 | 55 | 177.9 | -146.9 | 168.2 | 0 | 0 | 0 | 111.2 | L1526 F1684 | L1524-L1526 HydrophobicContact CD2-CD2 4.11Å; L1524-L1526 HydrophobicContact CD2-CG 4.31Å; L1524-L1526 PolarHBondContact O-N 2.86Å; L1524-F1684 HydrophobicContact CB-CD2 4.29Å; L1524-F1684 HydrophobicContact CB-CE1 4.49Å; L1524-F1684 HydrophobicContact CB-CE2 3.74Å; L1524-F1684 HydrophobicContact CB-CZ 3.85Å; L1524-F1684 HydrophobicContact CD1-CE2 4.07Å; L1524-F1684 HydrophobicContact CD1-CZ 4.28Å; L1524-F1684 HydrophobicContact CD2-CE2 4.11Å; L1524-F1684 HydrophobicContact CG-CE2 4.16Å; L1524-F1684 WeakPolarHBondContact O-CD2 3.22Å | ||
| 1525 | Y | 36.1 | Very low | 46.7 | Very low | 18 Ų | 18 | 58.1 Ų | 58.1 | 7% | 0.071 | 33% | 0.333 | C | S | . | . | trans | -74.4 | 119.7 | -176.5 | -68.4 | -87.9 | 0 | 0 | 0 | 112.1 | R1517 I1518 V1521 G1523 S1677 T1680 K1681 | R1517-Y1525 CarbonylContact C-O 3.58Å; R1517-Y1525 VanDerWaalsContact CA-O 3.29Å; R1517-Y1525 WeakPolarHBondContact CA-O 3.37Å; R1517-Y1525 WeakPolarHBondContact CG-O 3.5Å; I1518-Y1525 PolarHBondContact N-O 2.69Å; V1521-Y1525 HydrophobicContact CB-CD2 3.7Å; V1521-Y1525 HydrophobicContact CB-CE2 4Å; V1521-Y1525 HydrophobicContact CB-CG 4.31Å; V1521-Y1525 HydrophobicContact CG1-CD2 3.57Å; V1521-Y1525 HydrophobicContact CG1-CE1 4.5Å; V1521-Y1525 HydrophobicContact CG1-CE2 3.34Å; V1521-Y1525 HydrophobicContact CG1-CG 4.26Å; G1523-Y1525 PolarHBondContact O-N 3.26Å; Y1525-S1677 VanDerWaalsContact CE1-O 3.29Å; Y1525-S1677 WeakPolarHBondContact CE1-O 3.32Å; Y1525-T1680 HydrophobicContact CD1-CG2 3.78Å; Y1525-T1680 HydrophobicContact CG-CG2 4.26Å; Y1525-K1681 HydrophobicContact CE1-CB 4Å; Y1525-K1681 HydrophobicContact CE1-CD 4.15Å; Y1525-K1681 HydrophobicContact CE1-CG 3.75Å; Y1525-K1681 WeakPolarHBondContact OH-CD 2.94Å; Y1525-K1681 VanDerWaalsContact OH-CE 3.23Å; Y1525-K1681 WeakPolarHBondContact OH-CE 3.35Å | ||
| 1526 | L | 44.4 | Very low | 46.4 | Very low | 23 Ų | 23 | 63.7 Ų | 63.7 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111.5 | 178.7 | -65.7 | 178.2 | 0 | 0 | 0 | 112.5 | L1504 F1506 T1515 L1524 L1528 T1680 | L1504-L1526 HydrophobicContact CD2-CD1 3.9Å; L1504-L1526 HydrophobicContact CD2-CD2 4.05Å; F1506-L1526 HydrophobicContact CE2-CD1 4.19Å; F1506-L1526 HydrophobicContact CZ-CD1 4.03Å; T1515-L1526 HydrophobicContact CG2-CB 4.5Å; L1524-L1526 HydrophobicContact CD2-CD2 4.11Å; L1524-L1526 HydrophobicContact CD2-CG 4.31Å; L1524-L1526 PolarHBondContact O-N 2.86Å; L1526-L1528 PolarHBondContact O-N 3.32Å; L1526-T1680 VanDerWaalsContact O-CG2 3.27Å; L1526-T1680 WeakPolarHBondContact O-CG2 3.24Å |
| 1527 | K | 45.7 | Very low | 47 | Very low | 69 Ų | 69 | 62.5 Ų | 62.5 | 30% | 0.3 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 121.9 | 171.3 | -168.5 | 160.3 | -173.9 | 156.5 | 0 | 110 | T1515 S1516 I1518 H1529 | T1515-K1527 CarbonylContact C-O 3.59Å; T1515-K1527 WeakPolarHBondContact CA-O 3.39Å; T1515-K1527 VanDerWaalsContact CB-O 3.27Å; T1515-K1527 WeakPolarHBondContact CB-O 3.27Å; S1516-K1527 PolarHBondContact N-O 3.41Å; S1516-K1527 WeakPolarHBondContact O-CA 3.42Å; S1516-K1527 WeakPolarHBondContact O-CB 3.41Å; S1516-K1527 PolarHBondContact O-N 2.87Å; I1518-K1527 HydrophobicContact CD1-CB 4.36Å; I1518-K1527 HydrophobicContact CG1-CB 3.68Å; I1518-K1527 HydrophobicContact CG1-CG 4.49Å; K1527-H1529 PolarHBondContact O-CD2 3Å; K1527-H1529 VanDerWaalsContact O-CD2 3.24Å |
| 1528 | L | 45.3 | Very low | 47.8 | Very low | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 134 | 165.3 | -141.3 | 77.9 | 0 | 0 | 0 | 109.8 | I1513 T1515 L1526 I1531 | I1513-L1528 HydrophobicContact CG2-CD1 3.58Å; I1513-L1528 HydrophobicContact CG2-CG 4.34Å; T1515-L1528 HydrophobicContact CG2-CD1 4.27Å; L1526-L1528 PolarHBondContact O-N 3.32Å; L1528-I1531 HydrophobicContact CD2-CD1 4.11Å; L1528-I1531 HydrophobicContact CD2-CG1 4Å |
| 1529 | H | 58.9 | Low | 49 | Very low | 39 Ų | 39 | 59.9 Ų | 59.9 | 18% | 0.181 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -25.8 | 174 | -77.9 | -101.6 | 0 | 0 | 0 | 114.2 | R1503 Y1514 S1516 K1527 V1671 | R1503-H1529 PolarHBondContact NH1-CD2 2.8Å; R1503-H1529 PolarHBondContact NH1-CE1 3.46Å; R1503-H1529 PolarHBondContact NH1-ND1 3.04Å; R1503-H1529 VanDerWaalsContact NH1-ND1 3.1Å; R1503-H1529 PolarHBondContact NH1-NE2 3.05Å; R1503-H1529 VanDerWaalsContact NH1-NE2 3.15Å; Y1514-H1529 HydrophobicContact CD2-CB 3.73Å; Y1514-H1529 HydrophobicContact CE2-CB 3.27Å; Y1514-H1529 PolarHBondContact O-N 3.34Å; Y1514-H1529 PolarHBondContact OH-O 2.95Å; S1516-H1529 PolarHBondContact OG-NE2 3.34Å; K1527-H1529 PolarHBondContact O-CD2 3Å; K1527-H1529 VanDerWaalsContact O-CD2 3.24Å; H1529-V1671 WeakPolarHBondContact O-CG1 3.49Å |
| 1530 | A | 54.3 | Low | 50.2 | Low | 15 Ų | 15 | 51 Ų | 51 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 165.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y1514 I1532 | Y1514-A1530 HydrophobicContact CD1-CB 4.31Å; Y1514-A1530 HydrophobicContact CE1-CB 3.53Å; Y1514-A1530 PolarHBondContact N-O 3.29Å; Y1514-A1530 VanDerWaalsContact N-O 3.13Å; Y1514-A1530 PolarHBondContact O-N 3.36Å; A1530-I1532 HydrophobicContact CB-CG1 4.42Å |
| 1531 | I | 60.8 | Low | 51.4 | Low | 57 Ų | 57 | 52 Ų | 52 | 29% | 0.292 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.1 | 155.7 | -59.4 | 177.4 | 0 | 0 | 0 | 105.6 | L1477 R1511 I1513 L1528 | L1477-I1531 HydrophobicContact CD2-CD1 3.61Å; R1511-I1531 HydrophobicContact CB-CG2 4.14Å; R1511-I1531 HydrophobicContact CG-CG2 3.87Å; I1513-I1531 HydrophobicContact CD1-CD1 4.21Å; I1513-I1531 HydrophobicContact CD1-CG1 4.02Å; I1513-I1531 HydrophobicContact CG1-CB 4.44Å; I1513-I1531 HydrophobicContact CG1-CG1 4Å; I1513-I1531 HydrophobicContact CG1-CG2 4.2Å; I1513-I1531 HydrophobicContact CG2-CG1 4.26Å; L1528-I1531 HydrophobicContact CD2-CD1 4.11Å; L1528-I1531 HydrophobicContact CD2-CG1 4Å |
| 1532 | I | 66.5 | Low | 52.5 | Low | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.5 | 176.1 | -57.3 | 178.3 | 0 | 0 | 0 | 106.8 | R1511 L1512 Y1514 A1530 V1537 F1616 | R1511-I1532 CarbonylContact C-O 3.59Å; R1511-I1532 VanDerWaalsContact CA-O 3.31Å; R1511-I1532 WeakPolarHBondContact CA-O 3.45Å; L1512-I1532 HydrophobicContact CD2-CD1 4.49Å; L1512-I1532 PolarHBondContact N-O 2.84Å; L1512-I1532 PolarHBondContact O-N 3.13Å; Y1514-I1532 HydrophobicContact CD1-CD1 4.49Å; Y1514-I1532 HydrophobicContact CE1-CD1 4.23Å; A1530-I1532 HydrophobicContact CB-CG1 4.42Å; I1532-V1537 HydrophobicContact CG2-CG2 4.33Å; I1532-F1616 HydrophobicContact CD1-CD1 4.39Å; I1532-F1616 HydrophobicContact CD1-CD2 3.84Å; I1532-F1616 HydrophobicContact CD1-CE1 4.48Å; I1532-F1616 HydrophobicContact CD1-CE2 3.94Å; I1532-F1616 HydrophobicContact CD1-CG 4.07Å; I1532-F1616 HydrophobicContact CD1-CZ 4.26Å; I1532-F1616 HydrophobicContact CG1-CE2 4.5Å |
| 1533 | T | 64.9 | Low | 53.2 | Low | 68 Ų | 68 | 52.5 Ų | 52.5 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.9 | 168.3 | 47.5 | 0 | 0 | 0 | 0 | 109.4 | D1510 R1511 V1537 | D1510-T1533 CarbonylContact O-C 3.53Å; D1510-T1533 WeakPolarHBondContact O-CA 3.07Å; R1511-T1533 HydrophobicContact CG-CG2 4.07Å; T1533-V1537 WeakPolarHBondContact O-CG2 3.25Å |
| 1534 | L | 62.5 | Low | 53.2 | Low | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | trans | -83.9 | -15.9 | -176.7 | -62.4 | 175.1 | 0 | 0 | 0 | 112.9 | L1507 D1510 L1512 N1536 V1537 I1633 L1636 | L1507-L1534 HydrophobicContact CD1-CD1 3.78Å; D1510-L1534 PolarHBondContact O-N 3.07Å; L1512-L1534 HydrophobicContact CB-CD2 4.05Å; L1534-N1536 PolarHBondContact O-N 3.01Å; L1534-V1537 PolarHBondContact O-N 3.39Å; L1534-I1633 HydrophobicContact CD2-CG2 4.32Å; L1534-L1636 HydrophobicContact CD1-CB 3.7Å; L1534-L1636 HydrophobicContact CD1-CD1 3.9Å; L1534-L1636 HydrophobicContact CD1-CG 4.47Å | ||
| 1535 | S | 48.7 | Very low | 52.8 | Low | 84 Ų | 84 | 58.4 Ų | 58.4 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 130 | 168.8 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | V1537 | S1535-V1537 PolarHBondContact O-N 3.39Š|
| 1536 | N | 52.2 | Low | 52.4 | Low | 121 Ų | 121 | 65.9 Ų | 65.9 | 65% | 0.647 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 20.8 | -179.1 | -58 | -19.4 | 0 | 0 | 0 | 115.8 | L1534 | L1534-N1536 PolarHBondContact O-N 3.01Š|
| 1537 | V | 64.2 | Low | 51.6 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 134.3 | 168.2 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | I1532 T1533 L1534 S1535 L1564 S1637 N1639 | I1532-V1537 HydrophobicContact CG2-CG2 4.33Å; T1533-V1537 WeakPolarHBondContact O-CG2 3.25Å; L1534-V1537 PolarHBondContact O-N 3.39Å; S1535-V1537 PolarHBondContact O-N 3.39Å; V1537-L1564 HydrophobicContact CG1-CB 3.49Å; V1537-L1564 VanDerWaalsContact CG1-CB 3.49Å; V1537-S1637 PolarHBondContact O-OG 3.44Å; V1537-S1637 VanDerWaalsContact O-OG 3.1Å; V1537-N1639 PolarHBondContact O-ND2 3.22Å; V1537-N1639 VanDerWaalsContact O-ND2 3.14Å |
| 1538 | I | 61.2 | Low | 50.7 | Low | 73 Ų | 73 | 78.8 Ų | 78.8 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.8 | 168.9 | -58 | 174.9 | 0 | 0 | 0 | 107.9 | E1540 K1561 F1562 G1563 L1564 | I1538-E1540 HydrophobicContact CG2-CG 4.33Å; I1538-K1561 HydrophobicContact CD1-CB 3.86Å; I1538-K1561 HydrophobicContact CD1-CD 3.96Å; I1538-K1561 HydrophobicContact CG1-CB 4.32Å; I1538-K1561 HydrophobicContact CG1-CD 4.25Å; I1538-F1562 PolarHBondContact N-O 3.45Å; I1538-G1563 CarbonylContact O-C 3.6Å; I1538-G1563 WeakPolarHBondContact O-CA 3.5Å; I1538-L1564 PolarHBondContact O-N 3.23Å |
| 1539 | L | 64.8 | Low | 49.7 | Very low | 39 Ų | 39 | 80.6 Ų | 80.6 | 20% | 0.204 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 104.5 | 176.5 | -173.6 | 67.1 | 0 | 0 | 0 | 110.3 | L1564 V1566 I1630 I1633 | L1539-L1564 WeakPolarHBondContact CA-O 3.41Å; L1539-L1564 HydrophobicContact CD1-CB 4.46Å; L1539-L1564 HydrophobicContact CD1-CD2 4.05Å; L1539-L1564 HydrophobicContact CD1-CG 4.43Å; L1539-V1566 HydrophobicContact CD1-CG2 4.23Å; L1539-I1630 HydrophobicContact CD1-CD1 4Å; L1539-I1630 HydrophobicContact CD2-CD1 4.01Å; L1539-I1630 HydrophobicContact CG-CD1 4.01Å; L1539-I1633 HydrophobicContact CD1-CB 4.4Å; L1539-I1633 HydrophobicContact CD1-CG2 3.91Å; L1539-I1633 HydrophobicContact CD2-CB 4.27Å; L1539-I1633 HydrophobicContact CD2-CG2 4.15Å |
| 1540 | E | 58.5 | Low | 48.1 | Very low | 42 Ų | 42 | 86.6 Ų | 86.6 | 20% | 0.196 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 118.1 | 174.7 | -70.2 | 169.3 | -162.2 | 0 | 0 | 109.3 | I1538 L1564 V1565 V1566 R1615 | I1538-E1540 HydrophobicContact CG2-CG 4.33Å; E1540-L1564 PolarHBondContact N-O 3.06Å; E1540-V1565 HydrophobicContact CB-CB 4.29Å; E1540-V1565 HydrophobicContact CB-CG1 3.91Å; E1540-V1565 HydrophobicContact CB-CG2 4.1Å; E1540-V1565 WeakPolarHBondContact O-CA 3.41Å; E1540-V1565 WeakPolarHBondContact OE2-CG2 3.43Å; E1540-V1566 PolarHBondContact O-N 3.07Å; E1540-R1615 IonicContact OE1-CZ 3.42Å; E1540-R1615 IonicContact OE1-NE 3.48Å; E1540-R1615 PolarHBondContact OE1-NE 3.09Å; E1540-R1615 IonicContact OE1-NH1 2.88Å; E1540-R1615 PolarHBondContact OE1-NH1 3.16Å; E1540-R1615 IonicContact OE1-NH2 3.34Å; E1540-R1615 PolarHBondContact OE1-NH2 3.36Å; E1540-R1615 VanDerWaalsContact OE1-NH2 3.1Å; E1540-R1615 VanDerWaalsContact OE2-CD 3.31Å; E1540-R1615 WeakPolarHBondContact OE2-CD 3.32Å; E1540-R1615 IonicContact OE2-CZ 2.96Å; E1540-R1615 IonicContact OE2-NE 3.88Å; E1540-R1615 PolarHBondContact OE2-NE 2.98Å; E1540-R1615 IonicContact OE2-NH1 3.63Å; E1540-R1615 PolarHBondContact OE2-NH1 3.42Å; E1540-R1615 IonicContact OE2-NH2 2.65Å |
| 1541 | K | 61.8 | Low | 46.7 | Very low | 108 Ų | 108 | 90.2 Ų | 90.2 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | trans | -72.4 | 162.5 | 161.8 | -69.1 | -161.7 | -178 | -142 | 0 | 109.4 | Y1626 E1627 I1630 | K1541-Y1626 WeakPolarHBondContact CB-OH 3.21Å; K1541-E1627 IonicContact NZ-OE1 3.07Å; K1541-E1627 PolarHBondContact NZ-OE1 2.9Å; K1541-E1627 IonicContact NZ-OE2 2.83Å; K1541-E1627 PolarHBondContact NZ-OE2 3.34Å; K1541-I1630 HydrophobicContact CD-CG2 4.26Å; K1541-I1630 HydrophobicContact CG-CD1 4.07Å; K1541-I1630 HydrophobicContact CG-CG2 4.33Å | ||
| 1542 | N | 54.8 | Low | 45 | Very low | 43 Ų | 43 | 94.3 Ų | 94.3 | 23% | 0.23 | 52% | 0.519 | C | S | . | . | trans | -18.9 | 129.6 | -178.4 | -94.1 | 2.9 | 0 | 0 | 0 | 117.2 | S1544 T1567 Y1568 Y1626 | N1542-S1544 PolarHBondContact O-N 2.93Å; N1542-T1567 WeakPolarHBondContact OD1-CA 3.45Å; N1542-Y1568 WeakPolarHBondContact ND2-CD1 3.14Å; N1542-Y1568 WeakPolarHBondContact ND2-CE1 3.21Å; N1542-Y1568 WeakPolarHBondContact OD1-CD1 3.16Å; N1542-Y1568 PolarHBondContact OD1-N 2.69Å; N1542-Y1626 PolarHBondContact N-OH 3.35Å; N1542-Y1626 VanDerWaalsContact N-OH 3.11Å | ||
| 1543 | I | 44.1 | Very low | 43 | Very low | 118 Ų | 118 | 102.1 Ų | 102.1 | 61% | 0.605 | 56% | 0.555 | S | S | * | * | trans | -66 | 105.2 | 174.5 | -53.5 | 170 | 0 | 0 | 0 | 109.4 | V1565 | I1543-V1565 HydrophobicContact CG1-CG1 4.46Š| ||
| 1544 | S | 32.5 | Very low | 41 | Very low | 88 Ų | 88 | 105.2 Ų | 105.2 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | trans | -73.9 | 149.3 | 168.8 | 43.7 | 0 | 0 | 0 | 0 | 111.2 | N1542 E1546 | N1542-S1544 PolarHBondContact O-N 2.93Å; S1544-E1546 PolarHBondContact O-N 3.44Å | ||
| 1545 | N | 27.7 | Very low | 39 | Very low | 147 Ų | 147 | 110 Ų | 110 | 79% | 0.786 | 61% | 0.607 | S | S | * | * | trans | -91.7 | 81.2 | 175.7 | -68 | -34 | 0 | 0 | 0 | 109.7 | ||||
| 1546 | E | 26.5 | Very low | 37.8 | Very low | 174 Ų | 174 | 113 Ų | 113 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | trans | -104.3 | 152.8 | 167.4 | -74 | -179.3 | 154.9 | 0 | 0 | 111.2 | S1544 | S1544-E1546 PolarHBondContact O-N 3.44Š| ||
| 1547 | N | 27.8 | Very low | 36.4 | Very low | 162 Ų | 162 | 112.4 Ų | 112.4 | 87% | 0.866 | 62% | 0.622 | S | S | * | * | trans | -88.7 | 175.3 | -156.8 | -74.3 | -45.5 | 0 | 0 | 0 | 113.9 | A1549 | N1547-A1549 PolarHBondContact O-N 3.37Š| ||
| 1548 | Q | 26.7 | Very low | 34.4 | Very low | 201 Ų | 201 | 119.5 Ų | 119.5 | 94% | 0.939 | 66% | 0.656 | S | S | * | * | trans | -62.6 | 122.7 | 179.2 | -63.4 | 165.6 | -18.8 | 0 | 0 | 111.1 | ||||
| 1549 | A | 24.2 | Very low | 32.7 | Very low | 86 Ų | 86 | 127 Ų | 127 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | trans | -144 | 131.9 | 161 | 0 | 0 | 0 | 0 | 0 | 109.7 | N1547 | N1547-A1549 PolarHBondContact O-N 3.37Š| ||
| 1550 | N | 25.3 | Very low | 30.7 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 88% | 0.882 | 71% | 0.707 | S | S | * | * | trans | 49.9 | 125 | 160.4 | -56.9 | 0.8 | 0 | 0 | 0 | 120 | ||||
| 1551 | S | 25.7 | Very low | 29.6 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -79.7 | -177.8 | 159.3 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1552 | D | 24 | Very low | 28.7 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | 64.9 | 98.2 | 161.1 | -43.2 | -50.1 | 0 | 0 | 0 | 114.8 | ||||
| 1553 | E | 24.7 | Very low | 28.3 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | -141.9 | 162.7 | 62 | -74.2 | -172.5 | 147.5 | 0 | 0 | 114.7 | |||||
| 1554 | V | 23.3 | Very low | 29.1 | Very low | 134 Ų | 134 | 128 Ų | 128 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | trans | -115.6 | 83.9 | 176.6 | -176 | 0 | 0 | 0 | 0 | 110.2 | D1556 | V1554-D1556 PolarHBondContact O-N 2.71Š| ||
| 1555 | S | 20.2 | Very low | 30.4 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | trans | -84.9 | 99.7 | 171.7 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | S1557 | S1555-S1557 PolarHBondContact O-N 3.49Š| ||
| 1556 | D | 24.4 | Very low | 32 | Very low | 148 Ų | 148 | 117 Ų | 117 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | trans | -70.9 | 81.6 | -176.6 | -111.9 | -32.1 | 0 | 0 | 0 | 112.4 | V1554 | V1554-D1556 PolarHBondContact O-N 2.71Š| ||
| 1557 | S | 22.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 109.7 Ų | 109.7 | 76% | 0.755 | 59% | 0.587 | S | S | * | * | trans | -111.7 | 110.5 | 164.4 | 62 | 0 | 0 | 0 | 0 | 110.6 | S1555 Y1559 | S1555-S1557 PolarHBondContact O-N 3.49Å; S1557-Y1559 PolarHBondContact O-N 3.03Å | ||
| 1558 | M | 21.3 | Very low | 34.8 | Very low | 156 Ų | 156 | 105 Ų | 105 | 77% | 0.768 | 56% | 0.557 | S | S | * | * | trans | -80.1 | 109.2 | -169.9 | -61.1 | -173.7 | -170.6 | 0 | 0 | 112.4 | ||||
| 1559 | Y | 25.6 | Very low | 35.7 | Very low | 229 Ų | 229 | 100.5 Ų | 100.5 | 90% | 0.898 | 55% | 0.548 | S | S | * | . | trans | -163.7 | 69.6 | 140.1 | -80.1 | -52.1 | 0 | 0 | 0 | 111.6 | S1557 K1561 | S1557-Y1559 PolarHBondContact O-N 3.03Å; Y1559-K1561 PolarHBondContact O-N 2.86Å | ||
| 1560 | L | 24.2 | Very low | 36.1 | Very low | 140 Ų | 140 | 99.9 Ų | 99.9 | 73% | 0.733 | 54% | 0.539 | S | S | * | . | trans | -57.4 | 96.2 | -177.9 | -78.4 | 163.5 | 0 | 0 | 0 | 114.2 | K1614 | L1560-K1614 HydrophobicContact CB-CD 4.23Å; L1560-K1614 PolarHBondContact O-NZ 3.47Å | ||
| 1561 | K | 34.4 | Very low | 36.1 | Very low | 138 Ų | 138 | 103.3 Ų | 103.3 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | trans | -53.6 | 160.1 | 173.5 | -69.9 | 178.8 | 177.4 | 176.8 | 0 | 113.4 | I1538 Y1559 | I1538-K1561 HydrophobicContact CD1-CB 3.86Å; I1538-K1561 HydrophobicContact CD1-CD 3.96Å; I1538-K1561 HydrophobicContact CG1-CB 4.32Å; I1538-K1561 HydrophobicContact CG1-CD 4.25Å; Y1559-K1561 PolarHBondContact O-N 2.86Å | ||
| 1562 | F | 42.6 | Very low | 36.1 | Very low | 85 Ų | 85 | 103.9 Ų | 103.9 | 37% | 0.373 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145 | 176.3 | -74.7 | -89.7 | 0 | 0 | 0 | 111.3 | I1538 K1614 | I1538-F1562 PolarHBondContact N-O 3.45Å; F1562-K1614 HydrophobicContact CD1-CB 4.07Å; F1562-K1614 HydrophobicContact CD1-CD 4.46Å; F1562-K1614 HydrophobicContact CD1-CG 4.18Å; F1562-K1614 HydrophobicContact CE1-CB 4.37Å; F1562-K1614 HydrophobicContact CE1-CD 4.29Å; F1562-K1614 HydrophobicContact CE1-CG 4Å |
| 1563 | G | 47.1 | Very low | 36.2 | Very low | 6 Ų | 6 | 101.9 Ų | 101.9 | 6% | 0.062 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1538 K1614 R1615 F1616 | I1538-G1563 CarbonylContact O-C 3.6Å; I1538-G1563 WeakPolarHBondContact O-CA 3.5Å; G1563-K1614 PolarHBondContact N-O 3.25Å; G1563-K1614 VanDerWaalsContact N-O 3.14Å; G1563-R1615 CarbonylContact O-C 3.55Å; G1563-R1615 WeakPolarHBondContact O-CA 3.46Å; G1563-F1616 PolarHBondContact O-N 3.22Å |
| 1564 | L | 61.4 | Low | 36.1 | Very low | 4 Ų | 4 | 100.1 Ų | 100.1 | 2% | 0.021 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.2 | 165.7 | -173.5 | 76.8 | 0 | 0 | 0 | 107.2 | L1512 V1537 I1538 L1539 E1540 F1616 F1618 I1633 | L1512-L1564 HydrophobicContact CD1-CD2 4.13Å; V1537-L1564 HydrophobicContact CG1-CB 3.49Å; V1537-L1564 VanDerWaalsContact CG1-CB 3.49Å; I1538-L1564 PolarHBondContact O-N 3.23Å; L1539-L1564 WeakPolarHBondContact CA-O 3.41Å; L1539-L1564 HydrophobicContact CD1-CB 4.46Å; L1539-L1564 HydrophobicContact CD1-CD2 4.05Å; L1539-L1564 HydrophobicContact CD1-CG 4.43Å; E1540-L1564 PolarHBondContact N-O 3.06Å; L1564-F1616 HydrophobicContact CD1-CB 3.87Å; L1564-F1618 HydrophobicContact CD1-CD2 3.67Å; L1564-F1618 HydrophobicContact CD1-CE2 3.55Å; L1564-I1633 HydrophobicContact CD2-CD1 3.86Å; L1564-I1633 HydrophobicContact CD2-CG2 4.02Å |
| 1565 | V | 58.9 | Low | 36 | Very low | 1 Ų | 1 | 101.1 Ų | 101.1 | 1% | 0.006 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.3 | 176.7 | -160.5 | 0 | 0 | 0 | 0 | 107 | E1540 I1543 T1567 R1615 F1616 I1617 F1618 | E1540-V1565 HydrophobicContact CB-CB 4.29Å; E1540-V1565 HydrophobicContact CB-CG1 3.91Å; E1540-V1565 HydrophobicContact CB-CG2 4.1Å; E1540-V1565 WeakPolarHBondContact O-CA 3.41Å; E1540-V1565 WeakPolarHBondContact OE2-CG2 3.43Å; I1543-V1565 HydrophobicContact CG1-CG1 4.46Å; V1565-T1567 HydrophobicContact CG1-CG2 3.72Å; V1565-R1615 HydrophobicContact CG2-CB 4.23Å; V1565-F1616 PolarHBondContact N-O 3.16Å; V1565-I1617 HydrophobicContact CB-CB 4.38Å; V1565-I1617 HydrophobicContact CB-CG1 3.95Å; V1565-I1617 HydrophobicContact CB-CG2 4.42Å; V1565-I1617 HydrophobicContact CG2-CG1 3.86Å; V1565-I1617 CarbonylContact O-C 3.45Å; V1565-I1617 VanDerWaalsContact O-CA 3.3Å; V1565-I1617 WeakPolarHBondContact O-CA 3.42Å; V1565-F1618 PolarHBondContact O-N 3.27Å |
| 1566 | V | 62 | Low | 36.1 | Very low | 1 Ų | 1 | 106.4 Ų | 106.4 | 1% | 0.006 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141.1 | 163.6 | -165.6 | 0 | 0 | 0 | 0 | 106.4 | L1539 E1540 F1618 V1620 Y1626 I1630 I1633 | L1539-V1566 HydrophobicContact CD1-CG2 4.23Å; E1540-V1566 PolarHBondContact O-N 3.07Å; V1566-F1618 CarbonylContact C-O 3.52Å; V1566-F1618 WeakPolarHBondContact CA-O 3.47Å; V1566-V1620 HydrophobicContact CG1-CG2 3.48Å; V1566-V1620 VanDerWaalsContact CG1-CG2 3.48Å; V1566-Y1626 HydrophobicContact CB-CD2 4.34Å; V1566-Y1626 HydrophobicContact CB-CE2 4.24Å; V1566-Y1626 HydrophobicContact CG1-CD2 3.83Å; V1566-Y1626 HydrophobicContact CG1-CE2 4.24Å; V1566-Y1626 WeakPolarHBondContact O-CE2 3.37Å; V1566-I1630 HydrophobicContact CB-CD1 3.7Å; V1566-I1630 HydrophobicContact CB-CG1 4.09Å; V1566-I1630 HydrophobicContact CG2-CD1 3.85Å; V1566-I1630 HydrophobicContact CG2-CG1 4.44Å; V1566-I1633 HydrophobicContact CG2-CD1 4.34Å |
| 1567 | T | 52.2 | Low | 36.1 | Very low | 21 Ų | 21 | 107.1 Ų | 107.1 | 13% | 0.129 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 150.7 | -179.8 | 62 | 0 | 0 | 0 | 0 | 112.6 | N1542 V1565 I1617 F1618 G1619 V1620 | N1542-T1567 WeakPolarHBondContact OD1-CA 3.45Å; V1565-T1567 HydrophobicContact CG1-CG2 3.72Å; T1567-I1617 HydrophobicContact CG2-CG2 4.29Å; T1567-F1618 PolarHBondContact N-O 2.85Å; T1567-G1619 WeakPolarHBondContact O-CA 3.45Å; T1567-V1620 PolarHBondContact O-N 2.87Å |
| 1568 | Y | 61.2 | Low | 36.1 | Very low | 65 Ų | 65 | 106.2 Ų | 106.2 | 26% | 0.255 | 54% | 0.542 | S | S | . | . | trans | -128.4 | 163.9 | 165.7 | 76.8 | -79.1 | 0 | 0 | 0 | 111 | N1542 S1570 E1623 Y1626 | N1542-Y1568 WeakPolarHBondContact ND2-CD1 3.14Å; N1542-Y1568 WeakPolarHBondContact ND2-CE1 3.21Å; N1542-Y1568 WeakPolarHBondContact OD1-CD1 3.16Å; N1542-Y1568 PolarHBondContact OD1-N 2.69Å; Y1568-S1570 PolarHBondContact O-N 3.22Å; Y1568-E1623 HydrophobicContact CD2-CB 4.35Å; Y1568-E1623 HydrophobicContact CD2-CG 4.34Å; Y1568-E1623 HydrophobicContact CE2-CB 4.31Å; Y1568-E1623 HydrophobicContact CE2-CG 3.88Å; Y1568-E1623 VanDerWaalsContact CE2-OE1 3.24Å; Y1568-E1623 WeakPolarHBondContact CE2-OE1 3.28Å; Y1568-E1623 PolarHBondContact OH-OE1 3.01Å; Y1568-Y1626 AromaticContact CD1-CD1 3.5Å; Y1568-Y1626 HydrophobicContact CD1-CD1 3.5Å; Y1568-Y1626 VanDerWaalsContact CD1-CD1 3.5Å; Y1568-Y1626 AromaticContact CD1-CD2 3.69Å; Y1568-Y1626 HydrophobicContact CD1-CD2 3.69Å; Y1568-Y1626 AromaticContact CD1-CE1 3.6Å; Y1568-Y1626 HydrophobicContact CD1-CE1 3.6Å; Y1568-Y1626 AromaticContact CD1-CE2 3.76Å; Y1568-Y1626 HydrophobicContact CD1-CE2 3.76Å; Y1568-Y1626 AromaticContact CD1-CG 3.57Å; Y1568-Y1626 HydrophobicContact CD1-CG 3.57Å; Y1568-Y1626 AromaticContact CD1-CZ 3.73Å; Y1568-Y1626 AromaticContact CE1-CD1 3.78Å; Y1568-Y1626 HydrophobicContact CE1-CD1 3.78Å; Y1568-Y1626 AromaticContact CE1-CE1 3.6Å; Y1568-Y1626 HydrophobicContact CE1-CE1 3.6Å; Y1568-Y1626 HydrophobicContact CE1-CE2 4.47Å; Y1568-Y1626 HydrophobicContact CE1-CG 4.32Å; Y1568-Y1626 AromaticContact CE1-CZ 3.97Å; Y1568-Y1626 HydrophobicContact CG-CD1 4.39Å; Y1568-Y1626 HydrophobicContact CG-CD2 4.35Å; Y1568-Y1626 HydrophobicContact CG-CG 4.16Å | ||
| 1569 | S | 43.7 | Very low | 36.2 | Very low | 106 Ų | 106 | 106.5 Ų | 106.5 | 74% | 0.741 | 55% | 0.546 | S | S | * | . | trans | -96.1 | 79.8 | -174.9 | 174 | 0 | 0 | 0 | 0 | 111.4 | R1571 | S1569-R1571 PolarHBondContact O-N 3.24Š| ||
| 1570 | S | 34.4 | Very low | 36.1 | Very low | 73 Ų | 73 | 102.4 Ų | 102.4 | 51% | 0.51 | 55% | 0.545 | S | S | . | . | trans | -65.5 | 126.9 | 169.3 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | Y1568 | Y1568-S1570 PolarHBondContact O-N 3.22Š| ||
| 1571 | R | 25 | Very low | 35.9 | Very low | 237 Ų | 237 | 100 Ų | 100 | 89% | 0.894 | 54% | 0.54 | S | S | * | . | trans | -129.2 | 73.5 | 165.2 | -89.6 | -170.9 | 168.9 | -168.3 | -3.5 | 108.3 | S1569 | S1569-R1571 PolarHBondContact O-N 3.24Š| ||
| 1572 | S | 25.6 | Very low | 35.3 | Very low | 103 Ų | 103 | 100.7 Ų | 100.7 | 72% | 0.72 | 55% | 0.55 | S | S | * | . | trans | -78.7 | 137.1 | 161.5 | 39.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1573 | P | 24.9 | Very low | 34.3 | Very low | 102 Ų | 102 | 101.7 Ų | 101.7 | 66% | 0.662 | 57% | 0.568 | S | S | * | * | trans | -70.1 | 139.6 | 167.4 | 30.7 | -32.6 | 0 | 0 | 0 | 109 | H1575 | P1573-H1575 PolarHBondContact O-N 3.1Å; P1573-H1575 VanDerWaalsContact O-N 3.1Å | ||
| 1574 | V | 23.5 | Very low | 33.2 | Very low | 145 Ų | 145 | 107.1 Ų | 107.1 | 88% | 0.879 | 60% | 0.603 | S | S | * | * | trans | -68.5 | 110.2 | 171.8 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1575 | H | 21.9 | Very low | 31.5 | Very low | 155 Ų | 155 | 111.3 Ų | 111.3 | 72% | 0.718 | 63% | 0.631 | S | S | * | * | trans | -60 | 138.5 | 168.5 | -80.6 | -113.6 | 0 | 0 | 0 | 108.8 | P1573 L1577 | P1573-H1575 PolarHBondContact O-N 3.1Å; P1573-H1575 VanDerWaalsContact O-N 3.1Å; H1575-L1577 PolarHBondContact O-N 2.91Å | ||
| 1576 | K | 21.9 | Very low | 29.7 | Very low | 211 Ų | 211 | 114.3 Ų | 114.3 | 92% | 0.917 | 65% | 0.649 | S | S | * | * | trans | -61.7 | 109.2 | 161.4 | -72.4 | -174.6 | 174.3 | -173 | 0 | 106.9 | ||||
| 1577 | L | 24 | Very low | 27.9 | Very low | 163 Ų | 163 | 117.8 Ų | 117.8 | 85% | 0.853 | 67% | 0.667 | S | S | * | * | trans | -73.2 | 130.9 | 172.2 | -148.4 | 74.8 | 0 | 0 | 0 | 107.8 | H1575 | H1575-L1577 PolarHBondContact O-N 2.91Š| ||
| 1578 | S | 22.2 | Very low | 26.5 | Very low | 90 Ų | 90 | 121.9 Ų | 121.9 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | -75.5 | 127.3 | -178.3 | 50 | 0 | 0 | 0 | 0 | 111.3 | V1580 | S1578-V1580 PolarHBondContact O-N 2.83Š| ||
| 1579 | D | 22.8 | Very low | 24.7 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 87% | 0.866 | 70% | 0.701 | S | S | * | * | trans | 32.7 | 86.1 | 140.4 | -46.9 | -34.7 | 0 | 0 | 0 | 116.6 | ||||
| 1580 | V | 23.8 | Very low | 23.8 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 87% | 0.867 | 70% | 0.699 | S | S | * | * | trans | -106 | 119.6 | 155.5 | 179 | 0 | 0 | 0 | 0 | 107.3 | S1578 | S1578-V1580 PolarHBondContact O-N 2.83Š| ||
| 1581 | S | 21.1 | Very low | 23.2 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 62% | 0.622 | 70% | 0.703 | S | S | * | * | trans | -85.6 | 154.1 | -174.3 | 51 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1582 | N | 21.8 | Very low | 23.2 | Very low | 152 Ų | 152 | 119.8 Ų | 119.8 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | 71.3 | 137.4 | 168.1 | -46.5 | -29.8 | 0 | 0 | 0 | 115.4 | ||||
| 1583 | S | 21.7 | Very low | 23.1 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | cis | -164.6 | 136.3 | -10.8 | 43.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1584 | C | 24.2 | Very low | 23 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | trans | -78.3 | 151.5 | 167.5 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | V1586 | C1584-V1586 HydrophobicContact CB-CG2 4.48Š| ||
| 1585 | P | 23.9 | Very low | 22.9 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 60% | 0.597 | 70% | 0.697 | S | S | * | * | trans | -136.2 | -177.4 | 133.5 | 39.7 | -30.2 | 0 | 0 | 0 | 114.9 | Q697 | Q697-P1585 PolarHBondContact N-O 3.48Š| ||
| 1586 | V | 23 | Very low | 22.9 | Very low | 63 Ų | 63 | 121.5 Ų | 121.5 | 38% | 0.382 | 70% | 0.704 | S | S | . | * | -174.5 | 97.8 | -77 | 147.2 | 0 | 0 | 0 | 0 | 111.1 | N695 C1584 | N695-V1586 VanDerWaalsContact CB-C 3.44Å; N695-V1586 HydrophobicContact CB-CB 3.72Å; N695-V1586 HydrophobicContact CB-CG1 3.51Å; N695-V1586 HydrophobicContact CB-CG2 3.78Å; N695-V1586 VanDerWaalsContact ND2-CG1 3.27Å; N695-V1586 WeakPolarHBondContact ND2-CG1 3.44Å; N695-V1586 WeakPolarHBondContact O-CG2 3.46Å; C1584-V1586 HydrophobicContact CB-CG2 4.48Å | |||
| 1587 | N | 23.1 | Very low | 22.9 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 40% | 0.396 | 70% | 0.704 | S | S | . | * | trans | -163.1 | 159.8 | 166.7 | -82.6 | -44.3 | 0 | 0 | 0 | 112.8 | N695 T696 Q697 | N695-N1587 WeakPolarHBondContact CA-O 3.49Å; N695-N1587 VanDerWaalsContact CG-C 3.45Å; N695-N1587 WeakPolarHBondContact ND2-CA 3.47Å; N695-N1587 WeakPolarHBondContact OD1-CA 3.33Å; N695-N1587 PolarHBondContact OD1-O 3.3Å; T696-N1587 CarbonylContact C-O 3.56Å; T696-N1587 VanDerWaalsContact C-O 3.3Å; T696-N1587 VanDerWaalsContact CA-O 3.3Å; T696-N1587 WeakPolarHBondContact CA-O 3.46Å; T696-N1587 WeakPolarHBondContact CB-O 3.42Å; T696-N1587 CarbonylContact O-C 3.53Å; T696-N1587 WeakPolarHBondContact O-CA 3.22Å; T696-N1587 VanDerWaalsContact O-CB 3.3Å; T696-N1587 WeakPolarHBondContact O-CB 3.45Å; T696-N1587 PolarHBondContact O-N 3.31Å; T696-N1587 PolarHBondContact OG1-O 3.28Å; Q697-N1587 HydrophobicContact CB-CB 4.29Å; Q697-N1587 PolarHBondContact NE2-ND2 2.9Å | ||
| 1588 | Q | 23 | Very low | 22.8 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 51% | 0.505 | 70% | 0.7 | S | S | . | * | trans | -80.9 | 172.8 | -151.7 | -111 | 125 | 50.4 | 0 | 0 | 115.1 | Y694 N695 | Y694-Q1588 PolarHBondContact O-NE2 3.48Å; N695-Q1588 VanDerWaalsContact OD1-CA 3.26Å; N695-Q1588 WeakPolarHBondContact OD1-CA 3.47Å; N695-Q1588 WeakPolarHBondContact OD1-CB 3.44Å; N695-Q1588 WeakPolarHBondContact OD1-CG 3.33Å; N695-Q1588 PolarHBondContact OD1-N 2.93Å; N695-Q1588 PolarHBondContact OD1-NE2 3.33Å | ||
| 1589 | D | 24 | Very low | 22.8 | Very low | 112 Ų | 112 | 119.6 Ų | 119.6 | 60% | 0.599 | 70% | 0.703 | S | S | * | * | -163 | 144.3 | 74.8 | -102.9 | -33 | 0 | 0 | 0 | 119.3 | |||||
| 1590 | T | 24 | Very low | 22.7 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | trans | 45 | 105.5 | 150.9 | 60.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 1591 | A | 22.8 | Very low | 22.5 | Very low | 72 Ų | 72 | 121.4 Ų | 121.4 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | 14.1 | 135.5 | 128.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1592 | T | 24.7 | Very low | 22.6 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 87% | 0.871 | 72% | 0.715 | S | S | * | * | -161.5 | 162.4 | 78.2 | 20.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1593 | S | 22.3 | Very low | 22.6 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | -82.2 | 139.7 | -176.3 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1594 | N | 24.1 | Very low | 22.6 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | 172.1 | 148.2 | 107.3 | -89.8 | -32 | 0 | 0 | 0 | 114.3 | |||||
| 1595 | S | 20.9 | Very low | 22.4 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | -30.1 | 124.2 | 171.1 | 53.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1596 | F | 22.1 | Very low | 22.3 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 87% | 0.868 | 71% | 0.712 | S | S | * | * | trans | -134 | 124.7 | 145.9 | -100 | -82.9 | 0 | 0 | 0 | 110.9 | V1598 | F1596-V1598 PolarHBondContact O-N 2.88Š| ||
| 1597 | Q | 21 | Very low | 22.3 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 93% | 0.925 | 73% | 0.73 | S | S | * | * | trans | -70.4 | 118.3 | 163.2 | -70.1 | 178.7 | -18.9 | 0 | 0 | 108.3 | ||||
| 1598 | V | 22.3 | Very low | 22.3 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -111.1 | 133.4 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | F1596 | F1596-V1598 PolarHBondContact O-N 2.88Š| ||
| 1599 | S | 21.6 | Very low | 22.6 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -75.7 | 160.8 | -165 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | T1601 | S1599-T1601 PolarHBondContact O-N 3.32Š| ||
| 1600 | K | 20.8 | Very low | 22.7 | Very low | 217 Ų | 217 | 148.8 Ų | 148.8 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | trans | -56.7 | 86.3 | -178.6 | -64.2 | 166.3 | -180 | 167.1 | 0 | 112.8 | ||||
| 1601 | T | 21.5 | Very low | 23.1 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -84 | 127.2 | 170.3 | 49 | 0 | 0 | 0 | 0 | 111 | S1599 S1603 | S1599-T1601 PolarHBondContact O-N 3.32Å; T1601-S1603 PolarHBondContact O-N 3Å | ||
| 1602 | K | 21.7 | Very low | 23.5 | Very low | 204 Ų | 204 | 153.9 Ų | 153.9 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -77.3 | 85 | -177.4 | -71.3 | 173.1 | 178.8 | 167.8 | 0 | 110.7 | Q1604 | K1602-Q1604 PolarHBondContact O-N 3.18Š| ||
| 1603 | S | 21.6 | Very low | 24.1 | Very low | 112 Ų | 112 | 158.1 Ų | 158.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -63.9 | 100.2 | 175.9 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | T1601 | T1601-S1603 PolarHBondContact O-N 3Š| ||
| 1604 | Q | 22.6 | Very low | 25.2 | Very low | 140 Ų | 140 | 157.4 Ų | 157.4 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | trans | -85.8 | 119.1 | 168.6 | -70.6 | -179 | -29.9 | 0 | 0 | 109 | K1602 Y1606 | K1602-Q1604 PolarHBondContact O-N 3.18Å; Q1604-Y1606 HydrophobicContact CB-CD2 4.14Å; Q1604-Y1606 HydrophobicContact CB-CE2 4.04Å; Q1604-Y1606 WeakPolarHBondContact O-CD2 3.34Å; Q1604-Y1606 PolarHBondContact O-N 3.18Å | ||
| 1605 | C | 20.2 | Very low | 26.9 | Very low | 105 Ų | 105 | 155.8 Ų | 155.8 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | trans | -67.9 | 87 | -178.8 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | Y1607 | C1605-Y1607 HydrophobicContact CB-CD2 4.49Å; C1605-Y1607 HydrophobicContact CB-CE2 4.22Å; C1605-Y1607 PolarHBondContact O-N 2.85Å; C1605-Y1607 VanDerWaalsContact O-N 3.08Å | ||
| 1606 | Y | 21.9 | Very low | 29.2 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | trans | -77.6 | 82.5 | 177.2 | -88.7 | -84.8 | 0 | 0 | 0 | 112.5 | Q1604 R1608 | Q1604-Y1606 HydrophobicContact CB-CD2 4.14Å; Q1604-Y1606 HydrophobicContact CB-CE2 4.04Å; Q1604-Y1606 WeakPolarHBondContact O-CD2 3.34Å; Q1604-Y1606 PolarHBondContact O-N 3.18Å; Y1606-R1608 PolarHBondContact O-N 2.83Å | ||
| 1607 | Y | 23 | Very low | 31.6 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | trans | -62.1 | 101.8 | 170.6 | -76.5 | -83.5 | 0 | 0 | 0 | 111.7 | C1605 L1609 | C1605-Y1607 HydrophobicContact CB-CD2 4.49Å; C1605-Y1607 HydrophobicContact CB-CE2 4.22Å; C1605-Y1607 PolarHBondContact O-N 2.85Å; C1605-Y1607 VanDerWaalsContact O-N 3.08Å; Y1607-L1609 VanDerWaalsContact C-N 3.25Å; Y1607-L1609 PolarHBondContact O-N 3.19Å | ||
| 1608 | R | 22.9 | Very low | 34.4 | Very low | 210 Ų | 210 | 136.3 Ų | 136.3 | 79% | 0.792 | 63% | 0.634 | S | S | * | * | trans | -84.9 | 35.4 | -166.8 | -143 | 178.9 | -163.2 | -166.8 | 6.3 | 114.8 | Y1606 R1610 | Y1606-R1608 PolarHBondContact O-N 2.83Å; R1608-R1610 VanDerWaalsContact C-N 3.35Å; R1608-R1610 PolarHBondContact O-N 2.86Å | ||
| 1609 | L | 28.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | trans | -68.1 | 72.6 | -170.9 | -65.1 | 176.5 | 0 | 0 | 0 | 114.6 | Y1607 | Y1607-L1609 VanDerWaalsContact C-N 3.25Å; Y1607-L1609 PolarHBondContact O-N 3.19Å | ||
| 1610 | R | 27.8 | Very low | 39.1 | Very low | 214 Ų | 214 | 126.8 Ų | 126.8 | 81% | 0.808 | 57% | 0.573 | S | S | * | * | trans | -81.3 | -13.8 | -172.7 | -80.5 | -174.8 | 169.8 | -175.5 | -2.8 | 116.7 | R1608 | R1608-R1610 VanDerWaalsContact C-N 3.35Å; R1608-R1610 PolarHBondContact O-N 2.86Å | ||
| 1611 | K | 30.8 | Very low | 40.5 | Very low | 206 Ų | 206 | 124.5 Ų | 124.5 | 90% | 0.896 | 57% | 0.566 | S | S | * | * | trans | -99.7 | -15.2 | -169.2 | -75.1 | -173.7 | 175.9 | -179.9 | 0 | 117.5 | R1613 | K1611-R1613 VanDerWaalsContact C-N 3.27Å; K1611-R1613 PolarHBondContact O-N 3.01Å | ||
| 1612 | H | 31.6 | Very low | 42 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 39% | 0.394 | 55% | 0.552 | S | S | . | * | trans | -73.9 | 40.1 | -170.5 | -58.3 | -70.4 | 0 | 0 | 0 | 117.7 | K1614 R1615 | H1612-K1614 PolarHBondContact O-N 3.18Å; H1612-R1615 HydrophobicContact CB-CB 4.44Å; H1612-R1615 PolarHBondContact O-N 3.45Å | ||
| 1613 | R | 36.6 | Very low | 43.9 | Very low | 230 Ų | 230 | 118.4 Ų | 118.4 | 87% | 0.868 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -13.1 | 179.3 | -83.2 | -167.3 | -178.5 | -170.5 | 4.8 | 115.2 | K1611 | K1611-R1613 VanDerWaalsContact C-N 3.27Å; K1611-R1613 PolarHBondContact O-N 3.01Å |
| 1614 | K | 46.2 | Very low | 45.4 | Very low | 80 Ų | 80 | 119 Ų | 119 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 4.1 | -179.5 | -71.9 | -169.2 | 165.6 | -169.5 | 0 | 115.6 | L1560 F1562 G1563 H1612 | L1560-K1614 HydrophobicContact CB-CD 4.23Å; L1560-K1614 PolarHBondContact O-NZ 3.47Å; F1562-K1614 HydrophobicContact CD1-CB 4.07Å; F1562-K1614 HydrophobicContact CD1-CD 4.46Å; F1562-K1614 HydrophobicContact CD1-CG 4.18Å; F1562-K1614 HydrophobicContact CE1-CB 4.37Å; F1562-K1614 HydrophobicContact CE1-CD 4.29Å; F1562-K1614 HydrophobicContact CE1-CG 4Å; G1563-K1614 PolarHBondContact N-O 3.25Å; G1563-K1614 VanDerWaalsContact N-O 3.14Å; H1612-K1614 PolarHBondContact O-N 3.18Å |
| 1615 | R | 59.3 | Low | 47 | Very low | 109 Ų | 109 | 115.4 Ų | 115.4 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.8 | 176.3 | -64.8 | -166.6 | -175.5 | 170.8 | 4.3 | 112.2 | E1540 G1563 V1565 H1612 | E1540-R1615 IonicContact OE1-CZ 3.42Å; E1540-R1615 IonicContact OE1-NE 3.48Å; E1540-R1615 PolarHBondContact OE1-NE 3.09Å; E1540-R1615 IonicContact OE1-NH1 2.88Å; E1540-R1615 PolarHBondContact OE1-NH1 3.16Å; E1540-R1615 IonicContact OE1-NH2 3.34Å; E1540-R1615 PolarHBondContact OE1-NH2 3.36Å; E1540-R1615 VanDerWaalsContact OE1-NH2 3.1Å; E1540-R1615 VanDerWaalsContact OE2-CD 3.31Å; E1540-R1615 WeakPolarHBondContact OE2-CD 3.32Å; E1540-R1615 IonicContact OE2-CZ 2.96Å; E1540-R1615 IonicContact OE2-NE 3.88Å; E1540-R1615 PolarHBondContact OE2-NE 2.98Å; E1540-R1615 IonicContact OE2-NH1 3.63Å; E1540-R1615 PolarHBondContact OE2-NH1 3.42Å; E1540-R1615 IonicContact OE2-NH2 2.65Å; G1563-R1615 CarbonylContact O-C 3.55Å; G1563-R1615 WeakPolarHBondContact O-CA 3.46Å; V1565-R1615 HydrophobicContact CG2-CB 4.23Å; H1612-R1615 HydrophobicContact CB-CB 4.44Å; H1612-R1615 PolarHBondContact O-N 3.45Å |
| 1616 | F | 68.9 | Low | 49.5 | Very low | 54 Ų | 54 | 110.7 Ų | 110.7 | 24% | 0.237 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 102.9 | 173.4 | -73.5 | -72.2 | 0 | 0 | 0 | 110 | I1532 G1563 L1564 V1565 F1618 | I1532-F1616 HydrophobicContact CD1-CD1 4.39Å; I1532-F1616 HydrophobicContact CD1-CD2 3.84Å; I1532-F1616 HydrophobicContact CD1-CE1 4.48Å; I1532-F1616 HydrophobicContact CD1-CE2 3.94Å; I1532-F1616 HydrophobicContact CD1-CG 4.07Å; I1532-F1616 HydrophobicContact CD1-CZ 4.26Å; I1532-F1616 HydrophobicContact CG1-CE2 4.5Å; G1563-F1616 PolarHBondContact O-N 3.22Å; L1564-F1616 HydrophobicContact CD1-CB 3.87Å; V1565-F1616 PolarHBondContact N-O 3.16Å; F1616-F1618 HydrophobicContact CB-CE2 4.12Å |
| 1617 | I | 73.7 | Confident | 51.7 | Low | 37 Ų | 37 | 104.3 Ų | 104.3 | 19% | 0.19 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.5 | -179.9 | -54.5 | 161.1 | 0 | 0 | 0 | 110.3 | Y1495 F1500 V1565 T1567 | Y1495-I1617 WeakPolarHBondContact CB-O 3.42Å; Y1495-I1617 HydrophobicContact CD1-CD1 4.17Å; Y1495-I1617 PolarHBondContact N-O 3.06Å; F1500-I1617 HydrophobicContact CE1-CG2 4.24Å; F1500-I1617 HydrophobicContact CZ-CG2 4.4Å; V1565-I1617 HydrophobicContact CB-CB 4.38Å; V1565-I1617 HydrophobicContact CB-CG1 3.95Å; V1565-I1617 HydrophobicContact CB-CG2 4.42Å; V1565-I1617 HydrophobicContact CG2-CG1 3.86Å; V1565-I1617 CarbonylContact O-C 3.45Å; V1565-I1617 VanDerWaalsContact O-CA 3.3Å; V1565-I1617 WeakPolarHBondContact O-CA 3.42Å; T1567-I1617 HydrophobicContact CG2-CG2 4.29Å |
| 1618 | F | 79.1 | Confident | 53.9 | Low | 2 Ų | 2 | 97.5 Ų | 97.5 | 1% | 0.009 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.4 | 174.4 | -72.2 | -91.7 | 0 | 0 | 0 | 110.5 | L1492 N1493 K1494 V1505 L1512 Y1514 L1564 V1565 V1566 T1567 F1616 | L1492-F1618 HydrophobicContact CB-CB 4.46Å; L1492-F1618 HydrophobicContact CB-CD1 3.73Å; L1492-F1618 HydrophobicContact CB-CE1 4.46Å; L1492-F1618 HydrophobicContact CD1-CB 4.27Å; L1492-F1618 HydrophobicContact CD1-CD1 4.01Å; L1492-F1618 HydrophobicContact CD1-CG 4.27Å; N1493-F1618 CarbonylContact O-C 3.56Å; N1493-F1618 WeakPolarHBondContact O-CA 3.3Å; K1494-F1618 HydrophobicContact CB-CD1 3.79Å; K1494-F1618 HydrophobicContact CB-CE1 3.63Å; K1494-F1618 HydrophobicContact CB-CZ 4.36Å; K1494-F1618 HydrophobicContact CD-CE1 4.33Å; K1494-F1618 HydrophobicContact CD-CZ 4.27Å; K1494-F1618 HydrophobicContact CG-CD1 3.98Å; K1494-F1618 HydrophobicContact CG-CE1 3.65Å; K1494-F1618 HydrophobicContact CG-CE2 4.39Å; K1494-F1618 HydrophobicContact CG-CZ 3.88Å; V1505-F1618 HydrophobicContact CG2-CE1 4.27Å; L1512-F1618 HydrophobicContact CD2-CZ 4.39Å; Y1514-F1618 HydrophobicContact CD1-CZ 4.1Å; Y1514-F1618 HydrophobicContact CG-CZ 4.33Å; L1564-F1618 HydrophobicContact CD1-CD2 3.67Å; L1564-F1618 HydrophobicContact CD1-CE2 3.55Å; V1565-F1618 PolarHBondContact O-N 3.27Å; V1566-F1618 CarbonylContact C-O 3.52Å; V1566-F1618 WeakPolarHBondContact CA-O 3.47Å; T1567-F1618 PolarHBondContact N-O 2.85Å; F1616-F1618 HydrophobicContact CB-CE2 4.12Å |
| 1619 | G | 71 | Confident | 56.2 | Low | 9 Ų | 9 | 87.8 Ų | 87.8 | 9% | 0.093 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 138.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1493 T1567 | N1493-G1619 WeakPolarHBondContact CB-O 3.32Å; N1493-G1619 PolarHBondContact N-O 2.87Å; N1493-G1619 PolarHBondContact O-N 3.1Å; T1567-G1619 WeakPolarHBondContact O-CA 3.45Å |
| 1620 | V | 70.9 | Confident | 58.3 | Low | 17 Ų | 17 | 82.1 Ų | 82.1 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | trans | -116.4 | 148.6 | 178.8 | -157.7 | 0 | 0 | 0 | 0 | 110 | L1492 V1566 T1567 D1625 Y1626 | L1492-V1620 HydrophobicContact CD2-CG1 4.4Å; L1492-V1620 HydrophobicContact CD2-CG2 3.96Å; V1566-V1620 HydrophobicContact CG1-CG2 3.48Å; V1566-V1620 VanDerWaalsContact CG1-CG2 3.48Å; T1567-V1620 PolarHBondContact O-N 2.87Å; V1620-D1625 HydrophobicContact CG1-CB 3.4Å; V1620-Y1626 HydrophobicContact CG2-CD2 4.45Å | ||
| 1621 | Q | 51.1 | Low | 60.3 | Low | 168 Ų | 168 | 75 Ų | 75 | 79% | 0.785 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -86.5 | -31.2 | -177.8 | -69.5 | -173.8 | -45.8 | 0 | 0 | 113.5 | ||
| 1622 | N | 52.9 | Low | 62.2 | Low | 88 Ų | 88 | 66.8 Ų | 66.8 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -115.6 | 142.3 | -177.6 | -52.8 | -43.7 | 0 | 0 | 0 | 109.8 | L1624 D1625 Y1626 | N1622-L1624 VanDerWaalsContact C-N 3.34Å; N1622-D1625 HydrophobicContact CB-CB 4.11Å; N1622-D1625 WeakPolarHBondContact CB-OD2 3.46Å; N1622-D1625 PolarHBondContact ND2-OD2 2.84Å; N1622-D1625 PolarHBondContact O-N 3.46Å; N1622-Y1626 PolarHBondContact O-N 3.02Å |
| 1623 | E | 61.4 | Low | 64 | Low | 114 Ų | 114 | 62.8 Ų | 62.8 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 176.9 | -172.8 | 164.7 | -147.5 | 0 | 0 | 112.1 | Y1568 Y1626 E1627 | Y1568-E1623 HydrophobicContact CD2-CB 4.35Å; Y1568-E1623 HydrophobicContact CD2-CG 4.34Å; Y1568-E1623 HydrophobicContact CE2-CB 4.31Å; Y1568-E1623 HydrophobicContact CE2-CG 3.88Å; Y1568-E1623 VanDerWaalsContact CE2-OE1 3.24Å; Y1568-E1623 WeakPolarHBondContact CE2-OE1 3.28Å; Y1568-E1623 PolarHBondContact OH-OE1 3.01Å; E1623-Y1626 WeakPolarHBondContact O-CB 3.48Å; E1623-Y1626 PolarHBondContact O-N 3.44Å; E1623-E1627 PolarHBondContact O-N 3.34Å |
| 1624 | L | 53.7 | Low | 65.6 | Low | 124 Ų | 124 | 53.6 Ų | 53.6 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.4 | -39.5 | 172.5 | -175.1 | 66.7 | 0 | 0 | 0 | 112.7 | N1622 T1628 | N1622-L1624 VanDerWaalsContact C-N 3.34Å; L1624-T1628 WeakPolarHBondContact O-CB 3.46Å; L1624-T1628 VanDerWaalsContact O-CG2 3.29Å; L1624-T1628 WeakPolarHBondContact O-CG2 3.41Å; L1624-T1628 PolarHBondContact O-N 2.98Å; L1624-T1628 PolarHBondContact O-OG1 2.88Å |
| 1625 | D | 55.4 | Low | 66.5 | Low | 65 Ų | 65 | 57.1 Ų | 57.1 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 173.4 | -69.3 | -32.3 | 0 | 0 | 0 | 110.5 | V1620 N1622 T1628 W1629 | V1620-D1625 HydrophobicContact CG1-CB 3.4Å; N1622-D1625 HydrophobicContact CB-CB 4.11Å; N1622-D1625 WeakPolarHBondContact CB-OD2 3.46Å; N1622-D1625 PolarHBondContact ND2-OD2 2.84Å; N1622-D1625 PolarHBondContact O-N 3.46Å; D1625-T1628 WeakPolarHBondContact CA-OG1 3.33Å; D1625-T1628 PolarHBondContact O-N 3.49Å; D1625-T1628 PolarHBondContact O-OG1 2.96Å; D1625-T1628 VanDerWaalsContact O-OG1 3.07Å; D1625-W1629 WeakPolarHBondContact O-CB 3.49Å; D1625-W1629 VanDerWaalsContact O-CD1 3.22Å; D1625-W1629 PolarHBondContact O-N 3.31Å |
| 1626 | Y | 72.6 | Confident | 66.6 | Low | 6 Ų | 6 | 54 Ų | 54 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -51.7 | 175.7 | 165 | -90.4 | 0 | 0 | 0 | 111.4 | K1541 N1542 V1566 Y1568 V1620 N1622 E1623 W1629 I1630 | K1541-Y1626 WeakPolarHBondContact CB-OH 3.21Å; N1542-Y1626 PolarHBondContact N-OH 3.35Å; N1542-Y1626 VanDerWaalsContact N-OH 3.11Å; V1566-Y1626 HydrophobicContact CB-CD2 4.34Å; V1566-Y1626 HydrophobicContact CB-CE2 4.24Å; V1566-Y1626 HydrophobicContact CG1-CD2 3.83Å; V1566-Y1626 HydrophobicContact CG1-CE2 4.24Å; V1566-Y1626 WeakPolarHBondContact O-CE2 3.37Å; Y1568-Y1626 AromaticContact CD1-CD1 3.5Å; Y1568-Y1626 HydrophobicContact CD1-CD1 3.5Å; Y1568-Y1626 VanDerWaalsContact CD1-CD1 3.5Å; Y1568-Y1626 AromaticContact CD1-CD2 3.69Å; Y1568-Y1626 HydrophobicContact CD1-CD2 3.69Å; Y1568-Y1626 AromaticContact CD1-CE1 3.6Å; Y1568-Y1626 HydrophobicContact CD1-CE1 3.6Å; Y1568-Y1626 AromaticContact CD1-CE2 3.76Å; Y1568-Y1626 HydrophobicContact CD1-CE2 3.76Å; Y1568-Y1626 AromaticContact CD1-CG 3.57Å; Y1568-Y1626 HydrophobicContact CD1-CG 3.57Å; Y1568-Y1626 AromaticContact CD1-CZ 3.73Å; Y1568-Y1626 AromaticContact CE1-CD1 3.78Å; Y1568-Y1626 HydrophobicContact CE1-CD1 3.78Å; Y1568-Y1626 AromaticContact CE1-CE1 3.6Å; Y1568-Y1626 HydrophobicContact CE1-CE1 3.6Å; Y1568-Y1626 HydrophobicContact CE1-CE2 4.47Å; Y1568-Y1626 HydrophobicContact CE1-CG 4.32Å; Y1568-Y1626 AromaticContact CE1-CZ 3.97Å; Y1568-Y1626 HydrophobicContact CG-CD1 4.39Å; Y1568-Y1626 HydrophobicContact CG-CD2 4.35Å; Y1568-Y1626 HydrophobicContact CG-CG 4.16Å; V1620-Y1626 HydrophobicContact CG2-CD2 4.45Å; N1622-Y1626 PolarHBondContact O-N 3.02Å; E1623-Y1626 WeakPolarHBondContact O-CB 3.48Å; E1623-Y1626 PolarHBondContact O-N 3.44Å; Y1626-W1629 PolarHBondContact O-N 3.42Å; Y1626-I1630 HydrophobicContact CD1-CG1 4.5Å; Y1626-I1630 HydrophobicContact CD2-CG1 4.33Å; Y1626-I1630 HydrophobicContact CE1-CG1 4.18Å; Y1626-I1630 HydrophobicContact CE2-CD1 4.48Å; Y1626-I1630 HydrophobicContact CE2-CG1 3.99Å; Y1626-I1630 VanDerWaalsContact O-CB 3.31Å; Y1626-I1630 WeakPolarHBondContact O-CB 3.31Å; Y1626-I1630 WeakPolarHBondContact O-CG1 3.45Å; Y1626-I1630 PolarHBondContact O-N 2.84Å |
| 1627 | E | 68.9 | Low | 66.5 | Low | 60 Ų | 60 | 51.8 Ų | 51.8 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.9 | -34.7 | 178.8 | -84.1 | -60.5 | 134.1 | 0 | 0 | 112.1 | K1541 E1623 N1631 | K1541-E1627 IonicContact NZ-OE1 3.07Å; K1541-E1627 PolarHBondContact NZ-OE1 2.9Å; K1541-E1627 IonicContact NZ-OE2 2.83Å; K1541-E1627 PolarHBondContact NZ-OE2 3.34Å; E1623-E1627 PolarHBondContact O-N 3.34Å; E1627-N1631 WeakPolarHBondContact O-CB 3.48Å; E1627-N1631 VanDerWaalsContact O-CG 3.29Å; E1627-N1631 PolarHBondContact O-N 3.41Å; E1627-N1631 PolarHBondContact O-ND2 2.76Å; E1627-N1631 PolarHBondContact OE2-ND2 3.32Å |
| 1628 | T | 68.6 | Low | 65.4 | Low | 49 Ų | 49 | 52.5 Ų | 52.5 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 173.9 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | L1624 D1625 N1632 | L1624-T1628 WeakPolarHBondContact O-CB 3.46Å; L1624-T1628 VanDerWaalsContact O-CG2 3.29Å; L1624-T1628 WeakPolarHBondContact O-CG2 3.41Å; L1624-T1628 PolarHBondContact O-N 2.98Å; L1624-T1628 PolarHBondContact O-OG1 2.88Å; D1625-T1628 WeakPolarHBondContact CA-OG1 3.33Å; D1625-T1628 PolarHBondContact O-N 3.49Å; D1625-T1628 PolarHBondContact O-OG1 2.96Å; D1625-T1628 VanDerWaalsContact O-OG1 3.07Å; T1628-N1632 VanDerWaalsContact O-CB 3.23Å; T1628-N1632 WeakPolarHBondContact O-CB 3.43Å; T1628-N1632 PolarHBondContact O-N 3.44Å; T1628-N1632 PolarHBondContact O-ND2 2.82Å; T1628-N1632 VanDerWaalsContact O-ND2 3.09Å |
| 1629 | W | 71.4 | Confident | 63.6 | Low | 6 Ų | 6 | 56.6 Ų | 56.6 | 2% | 0.023 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 173.5 | -85.1 | 93.2 | 0 | 0 | 0 | 112.4 | H1488 L1492 V1505 L1507 D1625 Y1626 N1631 N1632 I1633 | H1488-W1629 AromaticContact CD2-CD2 3.71Å; H1488-W1629 AromaticContact CD2-CE2 3.32Å; H1488-W1629 AromaticContact CD2-CH2 3.89Å; H1488-W1629 AromaticContact CD2-CZ2 3.44Å; H1488-W1629 VanDerWaalsContact CD2-CZ2 3.44Å; H1488-W1629 WeakPolarHBondContact CD2-CZ2 3.32Å; H1488-W1629 AromaticContact CD2-NE1 3.62Å; H1488-W1629 AromaticContact NE2-CD1 3.89Å; H1488-W1629 AromaticContact NE2-CE2 3.58Å; H1488-W1629 AromaticContact NE2-CZ2 3.92Å; H1488-W1629 AromaticContact NE2-NE1 3.34Å; H1488-W1629 PolarHBondContact NE2-NE1 2.81Å; L1492-W1629 HydrophobicContact CD1-CD2 3.79Å; L1492-W1629 HydrophobicContact CD1-CE3 3.84Å; L1492-W1629 HydrophobicContact CD1-CG 4.38Å; L1492-W1629 HydrophobicContact CD1-CH2 4.22Å; L1492-W1629 HydrophobicContact CD1-CZ2 4.16Å; L1492-W1629 HydrophobicContact CD1-CZ3 4.05Å; L1492-W1629 HydrophobicContact CD2-CD2 4.07Å; L1492-W1629 HydrophobicContact CD2-CG 4.02Å; L1492-W1629 HydrophobicContact CG-CD2 4.21Å; L1492-W1629 HydrophobicContact CG-CZ2 4.11Å; V1505-W1629 HydrophobicContact CB-CH2 3.73Å; V1505-W1629 HydrophobicContact CB-CZ2 4.3Å; V1505-W1629 HydrophobicContact CB-CZ3 4.39Å; V1505-W1629 HydrophobicContact CG1-CH2 3.66Å; V1505-W1629 HydrophobicContact CG1-CZ3 3.86Å; L1507-W1629 HydrophobicContact CB-CZ3 4.06Å; D1625-W1629 WeakPolarHBondContact O-CB 3.49Å; D1625-W1629 VanDerWaalsContact O-CD1 3.22Å; D1625-W1629 PolarHBondContact O-N 3.31Å; Y1626-W1629 PolarHBondContact O-N 3.42Å; W1629-N1631 PolarHBondContact O-N 2.8Å; W1629-N1632 PolarHBondContact O-N 3.42Å; W1629-I1633 HydrophobicContact CE3-CD1 4.05Å; W1629-I1633 WeakPolarHBondContact O-CD1 3.49Å; W1629-I1633 VanDerWaalsContact O-CG1 3.28Å; W1629-I1633 WeakPolarHBondContact O-CG1 3.43Å; W1629-I1633 PolarHBondContact O-N 3.43Å |
| 1630 | I | 72.9 | Confident | 61.7 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.3 | -50.6 | 175.2 | -80 | -66.2 | 0 | 0 | 0 | 111.1 | L1539 K1541 V1566 Y1626 N1632 I1633 S1634 | L1539-I1630 HydrophobicContact CD1-CD1 4Å; L1539-I1630 HydrophobicContact CD2-CD1 4.01Å; L1539-I1630 HydrophobicContact CG-CD1 4.01Å; K1541-I1630 HydrophobicContact CD-CG2 4.26Å; K1541-I1630 HydrophobicContact CG-CD1 4.07Å; K1541-I1630 HydrophobicContact CG-CG2 4.33Å; V1566-I1630 HydrophobicContact CB-CD1 3.7Å; V1566-I1630 HydrophobicContact CB-CG1 4.09Å; V1566-I1630 HydrophobicContact CG2-CD1 3.85Å; V1566-I1630 HydrophobicContact CG2-CG1 4.44Å; Y1626-I1630 HydrophobicContact CD1-CG1 4.5Å; Y1626-I1630 HydrophobicContact CD2-CG1 4.33Å; Y1626-I1630 HydrophobicContact CE1-CG1 4.18Å; Y1626-I1630 HydrophobicContact CE2-CD1 4.48Å; Y1626-I1630 HydrophobicContact CE2-CG1 3.99Å; Y1626-I1630 VanDerWaalsContact O-CB 3.31Å; Y1626-I1630 WeakPolarHBondContact O-CB 3.31Å; Y1626-I1630 WeakPolarHBondContact O-CG1 3.45Å; Y1626-I1630 PolarHBondContact O-N 2.84Å; I1630-N1632 VanDerWaalsContact C-N 3.32Å; I1630-N1632 PolarHBondContact O-N 2.92Å; I1630-I1633 PolarHBondContact O-N 3.28Å; I1630-S1634 WeakPolarHBondContact O-CB 3.32Å; I1630-S1634 PolarHBondContact O-N 3.32Å; I1630-S1634 PolarHBondContact O-OG 2.9Å |
| 1631 | N | 69.7 | Low | 59.7 | Low | 66 Ų | 66 | 66.3 Ų | 66.3 | 35% | 0.353 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.2 | -17.9 | -177 | -69.8 | -56.7 | 0 | 0 | 0 | 113.9 | E1627 W1629 S1634 K1635 | E1627-N1631 WeakPolarHBondContact O-CB 3.48Å; E1627-N1631 VanDerWaalsContact O-CG 3.29Å; E1627-N1631 PolarHBondContact O-N 3.41Å; E1627-N1631 PolarHBondContact O-ND2 2.76Å; E1627-N1631 PolarHBondContact OE2-ND2 3.32Å; W1629-N1631 PolarHBondContact O-N 2.8Å; N1631-S1634 WeakPolarHBondContact CA-OG 3.2Å; N1631-S1634 PolarHBondContact O-OG 3.33Å; N1631-K1635 WeakPolarHBondContact O-CD 3.26Å; N1631-K1635 WeakPolarHBondContact O-CE 3.47Å; N1631-K1635 VanDerWaalsContact O-CG 3.23Å; N1631-K1635 WeakPolarHBondContact O-CG 3.44Å |
| 1632 | N | 69.7 | Low | 58.6 | Low | 32 Ų | 32 | 63.6 Ų | 63.6 | 17% | 0.171 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -85 | -29.8 | 170.5 | -72.3 | -24.2 | 0 | 0 | 0 | 112.1 | L1507 T1628 W1629 I1630 L1636 | L1507-N1632 HydrophobicContact CD2-CB 3.74Å; T1628-N1632 VanDerWaalsContact O-CB 3.23Å; T1628-N1632 WeakPolarHBondContact O-CB 3.43Å; T1628-N1632 PolarHBondContact O-N 3.44Å; T1628-N1632 PolarHBondContact O-ND2 2.82Å; T1628-N1632 VanDerWaalsContact O-ND2 3.09Å; W1629-N1632 PolarHBondContact O-N 3.42Å; I1630-N1632 VanDerWaalsContact C-N 3.32Å; I1630-N1632 PolarHBondContact O-N 2.92Å; N1632-L1636 WeakPolarHBondContact O-CD1 3.26Å; N1632-L1636 WeakPolarHBondContact O-CG 3.39Å |
| 1633 | I | 70.1 | Confident | 57.4 | Low | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80.9 | -40.3 | 176.2 | -64.5 | 160.2 | 0 | 0 | 0 | 111.5 | L1507 L1512 L1534 L1539 L1564 V1566 W1629 I1630 K1635 L1636 S1637 | L1507-I1633 HydrophobicContact CD1-CG1 3.96Å; L1507-I1633 HydrophobicContact CD2-CG1 3.98Å; L1512-I1633 HydrophobicContact CD1-CD1 4.13Å; L1534-I1633 HydrophobicContact CD2-CG2 4.32Å; L1539-I1633 HydrophobicContact CD1-CB 4.4Å; L1539-I1633 HydrophobicContact CD1-CG2 3.91Å; L1539-I1633 HydrophobicContact CD2-CB 4.27Å; L1539-I1633 HydrophobicContact CD2-CG2 4.15Å; L1564-I1633 HydrophobicContact CD2-CD1 3.86Å; L1564-I1633 HydrophobicContact CD2-CG2 4.02Å; V1566-I1633 HydrophobicContact CG2-CD1 4.34Å; W1629-I1633 HydrophobicContact CE3-CD1 4.05Å; W1629-I1633 WeakPolarHBondContact O-CD1 3.49Å; W1629-I1633 VanDerWaalsContact O-CG1 3.28Å; W1629-I1633 WeakPolarHBondContact O-CG1 3.43Å; W1629-I1633 PolarHBondContact O-N 3.43Å; I1630-I1633 PolarHBondContact O-N 3.28Å; I1633-K1635 VanDerWaalsContact C-N 3.33Å; I1633-K1635 PolarHBondContact O-N 2.97Å; I1633-L1636 PolarHBondContact O-N 3.46Å; I1633-S1637 PolarHBondContact O-N 3.42Å |
| 1634 | S | 70.2 | Confident | 55.6 | Low | 37 Ų | 37 | 65.5 Ų | 65.5 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | -179.3 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | I1630 N1631 L1636 S1637 | I1630-S1634 WeakPolarHBondContact O-CB 3.32Å; I1630-S1634 PolarHBondContact O-N 3.32Å; I1630-S1634 PolarHBondContact O-OG 2.9Å; N1631-S1634 WeakPolarHBondContact CA-OG 3.2Å; N1631-S1634 PolarHBondContact O-OG 3.33Å; S1634-L1636 PolarHBondContact O-N 2.81Å; S1634-L1636 VanDerWaalsContact O-N 3.08Å; S1634-S1637 PolarHBondContact O-N 2.93Å; S1634-S1637 VanDerWaalsContact O-N 3.17Å |
| 1635 | K | 65.5 | Low | 54.2 | Low | 155 Ų | 155 | 64.2 Ų | 64.2 | 67% | 0.674 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -23.8 | 173.6 | -71.1 | 170.8 | -168.4 | 163.3 | 0 | 114.7 | N1631 I1633 | N1631-K1635 WeakPolarHBondContact O-CD 3.26Å; N1631-K1635 WeakPolarHBondContact O-CE 3.47Å; N1631-K1635 VanDerWaalsContact O-CG 3.23Å; N1631-K1635 WeakPolarHBondContact O-CG 3.44Å; I1633-K1635 VanDerWaalsContact C-N 3.33Å; I1633-K1635 PolarHBondContact O-N 2.97Å |
| 1636 | L | 61.9 | Low | 52.8 | Low | 42 Ų | 42 | 67.5 Ų | 67.5 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -10.8 | -175 | -53.5 | 174.5 | 0 | 0 | 0 | 112.6 | I1487 L1507 L1534 N1632 I1633 S1634 G1638 | I1487-L1636 HydrophobicContact CD1-CD1 3.62Å; I1487-L1636 HydrophobicContact CD1-CD2 3.55Å; I1487-L1636 HydrophobicContact CD1-CG 4.17Å; L1507-L1636 HydrophobicContact CD1-CD1 4.15Å; L1507-L1636 HydrophobicContact CD2-CD1 3.97Å; L1507-L1636 HydrophobicContact CG-CD1 3.89Å; L1534-L1636 HydrophobicContact CD1-CB 3.7Å; L1534-L1636 HydrophobicContact CD1-CD1 3.9Å; L1534-L1636 HydrophobicContact CD1-CG 4.47Å; N1632-L1636 WeakPolarHBondContact O-CD1 3.26Å; N1632-L1636 WeakPolarHBondContact O-CG 3.39Å; I1633-L1636 PolarHBondContact O-N 3.46Å; S1634-L1636 PolarHBondContact O-N 2.81Å; S1634-L1636 VanDerWaalsContact O-N 3.08Å; L1636-G1638 VanDerWaalsContact C-N 3.25Å; L1636-G1638 PolarHBondContact O-N 2.98Å |
| 1637 | S | 64.7 | Low | 50.4 | Low | 8 Ų | 8 | 72.5 Ų | 72.5 | 6% | 0.056 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -79.4 | -2.3 | -173.3 | -164.6 | 0 | 0 | 0 | 0 | 113.9 | V1537 I1633 S1634 N1639 | V1537-S1637 PolarHBondContact O-OG 3.44Å; V1537-S1637 VanDerWaalsContact O-OG 3.1Å; I1633-S1637 PolarHBondContact O-N 3.42Å; S1634-S1637 PolarHBondContact O-N 2.93Å; S1634-S1637 VanDerWaalsContact O-N 3.17Å; S1637-N1639 PolarHBondContact O-N 3.23Å; S1637-N1639 PolarHBondContact O-ND2 3.47Å; S1637-N1639 PolarHBondContact OG-ND2 3.3Å |
| 1638 | G | 51.6 | Low | 48.2 | Very low | 53 Ų | 53 | 77.8 Ų | 77.8 | 55% | 0.546 | 47% | 0.468 | S | S | . | . | trans | 70.1 | -24.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | L1636 N1640 A1641 | L1636-G1638 VanDerWaalsContact C-N 3.25Å; L1636-G1638 PolarHBondContact O-N 2.98Å; G1638-N1640 PolarHBondContact O-N 2.88Å; G1638-A1641 WeakPolarHBondContact O-CB 3.42Å; G1638-A1641 PolarHBondContact O-N 2.82Å | ||
| 1639 | N | 42.1 | Very low | 46 | Very low | 88 Ų | 88 | 81.1 Ų | 81.1 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -3.4 | -169.7 | -61.6 | -39.4 | 0 | 0 | 0 | 115.9 | V1537 S1637 A1641 | V1537-N1639 PolarHBondContact O-ND2 3.22Å; V1537-N1639 VanDerWaalsContact O-ND2 3.14Å; S1637-N1639 PolarHBondContact O-N 3.23Å; S1637-N1639 PolarHBondContact O-ND2 3.47Å; S1637-N1639 PolarHBondContact OG-ND2 3.3Å; N1639-A1641 VanDerWaalsContact C-N 3.28Å |
| 1640 | N | 30.9 | Very low | 43.7 | Very low | 141 Ų | 141 | 88.4 Ų | 88.4 | 75% | 0.754 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.6 | 171.1 | -73.2 | 36.6 | 0 | 0 | 0 | 113 | G1638 T1642 | G1638-N1640 PolarHBondContact O-N 2.88Å; N1640-T1642 PolarHBondContact O-N 3.41Å |
| 1641 | A | 28 | Very low | 41.2 | Very low | 89 Ų | 89 | 99.9 Ų | 99.9 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | trans | -79 | 38.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1638 N1639 | G1638-A1641 WeakPolarHBondContact O-CB 3.42Å; G1638-A1641 PolarHBondContact O-N 2.82Å; N1639-A1641 VanDerWaalsContact C-N 3.28Å | ||
| 1642 | T | 28.7 | Very low | 38.9 | Very low | 110 Ų | 110 | 102 Ų | 102 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | trans | -91.4 | 116.9 | 163.3 | 51.9 | 0 | 0 | 0 | 0 | 107.7 | N1640 | N1640-T1642 PolarHBondContact O-N 3.41Š| ||
| 1643 | N | 27 | Very low | 36.7 | Very low | 147 Ų | 147 | 108.6 Ų | 108.6 | 79% | 0.786 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 99.4 | 61.4 | -171.7 | -53.7 | -11.2 | 0 | 0 | 0 | 115 | ||
| 1644 | A | 24.7 | Very low | 34.4 | Very low | 95 Ų | 95 | 114.8 Ų | 114.8 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | trans | -146.3 | 122.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1645 | D | 23.7 | Very low | 32.1 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | trans | -85.2 | 174.3 | -158.8 | -68.7 | -83.4 | 0 | 0 | 0 | 115.6 | K711 S1647 | K711-D1645 IonicContact NZ-OD1 2.65Å; K711-D1645 PolarHBondContact NZ-OD1 3.09Å; D1645-S1647 PolarHBondContact O-N 3.41Å | ||
| 1646 | T | 25.7 | Very low | 30 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 82% | 0.816 | 68% | 0.682 | S | S | * | * | trans | -54.9 | 121.6 | -173.1 | 49 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1647 | S | 23.3 | Very low | 28.1 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | -179.8 | 123.6 | 128.4 | 41.7 | 0 | 0 | 0 | 0 | 112.8 | D1645 | D1645-S1647 PolarHBondContact O-N 3.41Š| |||
| 1648 | L | 21.4 | Very low | 26.1 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | trans | 179.8 | 90.8 | 132.6 | -98.7 | 163.6 | 0 | 0 | 0 | 110.1 | ||||
| 1649 | T | 22.5 | Very low | 24.7 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | -41.8 | 143.2 | 171.8 | 47.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1650 | H | 22.8 | Very low | 23.9 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 73% | 0.731 | 76% | 0.762 | S | S | * | * | trans | 40.9 | 104.7 | 145.6 | -71.8 | -95.1 | 0 | 0 | 0 | 118.8 | N1652 | H1650-N1652 PolarHBondContact ND1-OD1 3.49Š| ||
| 1651 | R | 20.4 | Very low | 23.4 | Very low | 242 Ų | 242 | 135.3 Ų | 135.3 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | -108.6 | 133.9 | 128.1 | -82.7 | -172.7 | 167 | -170.9 | -4.1 | 108.2 | D1653 | R1651-D1653 PolarHBondContact O-N 3.33Š| |||
| 1652 | N | 22.2 | Very low | 23.1 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | trans | -79.1 | 112.7 | -170.2 | -70.4 | -18 | 0 | 0 | 0 | 111.7 | H1650 N1654 | H1650-N1652 PolarHBondContact ND1-OD1 3.49Å; N1652-N1654 HydrophobicContact CB-CB 4.24Å; N1652-N1654 PolarHBondContact O-N 3.26Å | ||
| 1653 | D | 22.6 | Very low | 22.8 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | -72.7 | 68.8 | 157.5 | -74.2 | -41.4 | 0 | 0 | 0 | 109.8 | R1651 | R1651-D1653 PolarHBondContact O-N 3.33Š| ||
| 1654 | N | 22.4 | Very low | 22.5 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -99.8 | 118.8 | 178.7 | -90.6 | -5.7 | 0 | 0 | 0 | 111.9 | N1652 | N1652-N1654 HydrophobicContact CB-CB 4.24Å; N1652-N1654 PolarHBondContact O-N 3.26Å | ||
| 1655 | A | 22.1 | Very low | 22.5 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 59.5 | 75.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1656 | I | 22.4 | Very low | 22.4 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | -114.5 | 134.6 | 128.4 | -63.6 | -177 | 0 | 0 | 0 | 107.1 | |||||
| 1657 | S | 20.9 | Very low | 22.3 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 163 | -162.8 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | H1659 | S1657-H1659 PolarHBondContact O-N 2.91Š| ||
| 1658 | N | 23.8 | Very low | 22.3 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -62 | 100.5 | 174.1 | -72.4 | -50.2 | 0 | 0 | 0 | 112 | V1660 | N1658-V1660 HydrophobicContact CB-CG2 4.32Š| ||
| 1659 | H | 21.5 | Very low | 22.5 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -110.3 | 73.5 | 153.2 | -115.9 | -82.4 | 0 | 0 | 0 | 109.9 | S1657 L1661 | S1657-H1659 PolarHBondContact O-N 2.91Å; H1659-L1661 VanDerWaalsContact C-N 3.31Å; H1659-L1661 PolarHBondContact O-N 3.05Å | ||
| 1660 | V | 24.9 | Very low | 22.6 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | trans | -73.9 | 82.7 | 178.5 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | N1658 | N1658-V1660 HydrophobicContact CB-CG2 4.32Š| ||
| 1661 | L | 21 | Very low | 22.7 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -86.5 | 113.2 | 169.5 | -144.5 | 78 | 0 | 0 | 0 | 109.6 | H1659 | H1659-L1661 VanDerWaalsContact C-N 3.31Å; H1659-L1661 PolarHBondContact O-N 3.05Å | ||
| 1662 | Q | 22.1 | Very low | 22.9 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | trans | -78.3 | 151 | 176.3 | -66.6 | -171.8 | 0.4 | 0 | 0 | 111.5 | ||||
| 1663 | S | 20.9 | Very low | 23 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 70.1 | 141.1 | -169.3 | 84.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1664 | S | 21.1 | Very low | 23.3 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | cis | -113.8 | 145.9 | 12.2 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | Y1666 | S1664-Y1666 PolarHBondContact O-N 3.14Š| ||
| 1665 | K | 24.9 | Very low | 23.9 | Very low | 195 Ų | 195 | 134.9 Ų | 134.9 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | -78.4 | 110.4 | -178.2 | -59.7 | 155.3 | 179.8 | 162.7 | 0 | 110.1 | ||||
| 1666 | Y | 22.1 | Very low | 24.3 | Very low | 223 Ų | 223 | 133.4 Ų | 133.4 | 88% | 0.875 | 71% | 0.713 | S | S | * | * | trans | -155.8 | 2.6 | 155 | -94.6 | -50.7 | 0 | 0 | 0 | 119.1 | S1664 | S1664-Y1666 PolarHBondContact O-N 3.14Š| ||
| 1667 | T | 23.7 | Very low | 25 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -109.9 | 169.3 | 166.8 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1668 | V | 23.2 | Very low | 25.5 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 73.6 | 122.6 | -168 | -170.7 | 0 | 0 | 0 | 0 | 114.3 | G1670 | V1668-G1670 PolarHBondContact O-N 3.24Å; V1668-G1670 VanDerWaalsContact O-N 3.09Å |
| 1669 | S | 25.2 | Very low | 25.9 | Very low | 109 Ų | 109 | 120.2 Ų | 120.2 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 63.6 | -5.6 | -176.7 | 77.2 | 0 | 0 | 0 | 0 | 118.1 | V1671 | S1669-V1671 PolarHBondContact O-N 2.8Š|
| 1670 | G | 23.5 | Very low | 26.7 | Very low | 57 Ų | 57 | 112.9 Ų | 112.9 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | trans | -71.3 | 108.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1668 T1672 | V1668-G1670 PolarHBondContact O-N 3.24Å; V1668-G1670 VanDerWaalsContact O-N 3.09Å; G1670-T1672 PolarHBondContact O-N 3.3Å; G1670-T1672 VanDerWaalsContact O-N 3.13Å | ||
| 1671 | V | 25.5 | Very low | 27.2 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 44% | 0.442 | 61% | 0.607 | S | S | . | * | trans | -64.8 | 108.6 | 172.8 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | H1529 S1669 R1673 | H1529-V1671 WeakPolarHBondContact O-CG1 3.49Å; S1669-V1671 PolarHBondContact O-N 2.8Å; V1671-R1673 HydrophobicContact CG1-CG 4.26Å; V1671-R1673 PolarHBondContact O-N 3.43Å | ||
| 1672 | T | 25.5 | Very low | 27.8 | Very low | 109 Ų | 109 | 109.4 Ų | 109.4 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | trans | -69.2 | 115.8 | 174.5 | 41.9 | 0 | 0 | 0 | 0 | 110.8 | G1670 | G1670-T1672 PolarHBondContact O-N 3.3Å; G1670-T1672 VanDerWaalsContact O-N 3.13Å | ||
| 1673 | R | 24.4 | Very low | 28.3 | Very low | 185 Ų | 185 | 102.7 Ų | 102.7 | 70% | 0.698 | 56% | 0.555 | S | S | * | * | trans | -106.4 | 77 | -177.1 | -70.3 | 177.1 | 172.9 | 170.6 | 0.3 | 111.1 | V1671 | V1671-R1673 HydrophobicContact CG1-CG 4.26Å; V1671-R1673 PolarHBondContact O-N 3.43Å | ||
| 1674 | L | 29.2 | Very low | 29 | Very low | 51 Ų | 51 | 101 Ų | 101 | 27% | 0.267 | 53% | 0.533 | S | S | . | . | trans | -58.5 | 145.1 | 171.1 | -78.8 | 74.2 | 0 | 0 | 0 | 110.2 | L1470 I1473 I1679 | L1470-L1674 HydrophobicContact CD2-CD2 3.93Å; L1470-L1674 HydrophobicContact CD2-CG 4.24Å; I1473-L1674 HydrophobicContact CB-CD2 4.38Å; I1473-L1674 HydrophobicContact CG2-CD1 4.24Å; I1473-L1674 HydrophobicContact CG2-CD2 3.66Å; L1674-I1679 HydrophobicContact CD2-CD1 3.72Å | ||
| 1675 | R | 33.3 | Very low | 29.8 | Very low | 216 Ų | 216 | 99 Ų | 99 | 82% | 0.815 | 52% | 0.516 | S | S | * | . | trans | -105.6 | -20 | -176 | -67.2 | -168.4 | -174.4 | -165.7 | 6.6 | 113.5 | ||||
| 1676 | D | 31.4 | Very low | 30.1 | Very low | 67 Ų | 67 | 90.8 Ų | 90.8 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | trans | -76.7 | 134.6 | -160.1 | -68.4 | -73.2 | 0 | 0 | 0 | 115.5 | S1678 T1680 | D1676-S1678 VanDerWaalsContact C-N 3.3Å; D1676-T1680 PolarHBondContact O-N 3.41Å; D1676-T1680 PolarHBondContact O-OG1 2.79Å | ||
| 1677 | S | 37 | Very low | 30.5 | Very low | 57 Ų | 57 | 81.5 Ų | 81.5 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.6 | -27.2 | 179.4 | 76.3 | 0 | 0 | 0 | 0 | 111.8 | Y1525 T1680 K1681 | Y1525-S1677 VanDerWaalsContact CE1-O 3.29Å; Y1525-S1677 WeakPolarHBondContact CE1-O 3.32Å; S1677-T1680 CarbonylContact O-C 3.59Å; S1677-T1680 PolarHBondContact O-N 3.31Å; S1677-K1681 WeakPolarHBondContact O-CB 3.3Å; S1677-K1681 PolarHBondContact O-N 2.78Å |
| 1678 | S | 31.9 | Very low | 31 | Very low | 74 Ų | 74 | 78.3 Ų | 78.3 | 52% | 0.517 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60 | -58.6 | 177.2 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | D1676 T1680 K1681 L1682 | D1676-S1678 VanDerWaalsContact C-N 3.3Å; S1678-T1680 PolarHBondContact O-N 2.91Å; S1678-K1681 CarbonylContact O-C 3.51Å; S1678-K1681 WeakPolarHBondContact O-CA 3.45Å; S1678-K1681 VanDerWaalsContact O-CB 3.28Å; S1678-K1681 WeakPolarHBondContact O-CB 3.24Å; S1678-K1681 PolarHBondContact O-N 3.3Å; S1678-L1682 PolarHBondContact O-N 2.92Å |
| 1679 | I | 32.5 | Very low | 31.4 | Very low | 16 Ų | 16 | 77.5 Ų | 77.5 | 8% | 0.082 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.3 | -38.6 | 174.9 | -62.9 | 171.1 | 0 | 0 | 0 | 110.4 | L1470 L1477 L1674 K1681 L1682 I1683 | L1470-I1679 HydrophobicContact CD2-CD1 4.43Å; L1477-I1679 HydrophobicContact CD1-CG2 4.25Å; L1674-I1679 HydrophobicContact CD2-CD1 3.72Å; I1679-K1681 VanDerWaalsContact C-N 3.32Å; I1679-K1681 PolarHBondContact O-N 3.42Å; I1679-L1682 PolarHBondContact O-N 2.9Å; I1679-I1683 HydrophobicContact CG2-CD1 3.77Å; I1679-I1683 HydrophobicContact CG2-CG1 4.28Å; I1679-I1683 WeakPolarHBondContact O-CB 3.3Å; I1679-I1683 VanDerWaalsContact O-CG1 3.31Å; I1679-I1683 WeakPolarHBondContact O-CG1 3.37Å; I1679-I1683 PolarHBondContact O-N 3.13Å |
| 1680 | T | 37.5 | Very low | 31.5 | Very low | 16 Ų | 16 | 76.1 Ų | 76.1 | 10% | 0.098 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.1 | -30.2 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | I1518 Y1525 L1526 D1676 S1677 S1678 F1684 | I1518-T1680 HydrophobicContact CD1-CG2 4.21Å; Y1525-T1680 HydrophobicContact CD1-CG2 3.78Å; Y1525-T1680 HydrophobicContact CG-CG2 4.26Å; L1526-T1680 VanDerWaalsContact O-CG2 3.27Å; L1526-T1680 WeakPolarHBondContact O-CG2 3.24Å; D1676-T1680 PolarHBondContact O-N 3.41Å; D1676-T1680 PolarHBondContact O-OG1 2.79Å; S1677-T1680 CarbonylContact O-C 3.59Å; S1677-T1680 PolarHBondContact O-N 3.31Å; S1678-T1680 PolarHBondContact O-N 2.91Å; T1680-F1684 WeakPolarHBondContact O-CB 3.49Å; T1680-F1684 PolarHBondContact O-N 3.24Å |
| 1681 | K | 35.8 | Very low | 31.7 | Very low | 126 Ų | 126 | 76.5 Ų | 76.5 | 55% | 0.548 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.1 | -43.8 | 171.6 | -130.1 | 174.3 | -177 | 177.6 | 0 | 110.4 | Y1525 S1677 S1678 I1679 F1684 T1685 | Y1525-K1681 HydrophobicContact CE1-CB 4Å; Y1525-K1681 HydrophobicContact CE1-CD 4.15Å; Y1525-K1681 HydrophobicContact CE1-CG 3.75Å; Y1525-K1681 WeakPolarHBondContact OH-CD 2.94Å; Y1525-K1681 VanDerWaalsContact OH-CE 3.23Å; Y1525-K1681 WeakPolarHBondContact OH-CE 3.35Å; S1677-K1681 WeakPolarHBondContact O-CB 3.3Å; S1677-K1681 PolarHBondContact O-N 2.78Å; S1678-K1681 CarbonylContact O-C 3.51Å; S1678-K1681 WeakPolarHBondContact O-CA 3.45Å; S1678-K1681 VanDerWaalsContact O-CB 3.28Å; S1678-K1681 WeakPolarHBondContact O-CB 3.24Å; S1678-K1681 PolarHBondContact O-N 3.3Å; I1679-K1681 VanDerWaalsContact C-N 3.32Å; I1679-K1681 PolarHBondContact O-N 3.42Å; K1681-F1684 WeakPolarHBondContact O-CB 3.38Å; K1681-F1684 PolarHBondContact O-N 2.8Å; K1681-F1684 VanDerWaalsContact O-N 3.17Å; K1681-T1685 PolarHBondContact O-N 3.35Å; K1681-T1685 PolarHBondContact O-OG1 3.43Å |
| 1682 | L | 33.1 | Very low | 31.8 | Very low | 65 Ų | 65 | 76.4 Ų | 76.4 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 178.9 | -158.4 | 87.7 | 0 | 0 | 0 | 111.6 | S1678 I1679 F1684 T1685 E1686 | S1678-L1682 PolarHBondContact O-N 2.92Å; I1679-L1682 PolarHBondContact O-N 2.9Å; L1682-F1684 VanDerWaalsContact C-N 3.3Å; L1682-F1684 PolarHBondContact O-N 2.83Å; L1682-T1685 WeakPolarHBondContact CA-OG1 3.37Å; L1682-T1685 PolarHBondContact O-N 3.08Å; L1682-T1685 PolarHBondContact O-OG1 2.82Å; L1682-E1686 VanDerWaalsContact O-CB 3.27Å; L1682-E1686 WeakPolarHBondContact O-CB 3.28Å; L1682-E1686 PolarHBondContact O-N 2.83Å |
| 1683 | I | 32 | Very low | 31.8 | Very low | 24 Ų | 24 | 75.2 Ų | 75.2 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 174.2 | -68.6 | 172.6 | 0 | 0 | 0 | 110.8 | L1477 I1481 I1679 I1687 | L1477-I1683 HydrophobicContact CD1-CD1 4.44Å; I1481-I1683 HydrophobicContact CD1-CD1 4.46Å; I1481-I1683 HydrophobicContact CD1-CG1 3.96Å; I1481-I1683 HydrophobicContact CD1-CG2 4.43Å; I1679-I1683 HydrophobicContact CG2-CD1 3.77Å; I1679-I1683 HydrophobicContact CG2-CG1 4.28Å; I1679-I1683 WeakPolarHBondContact O-CB 3.3Å; I1679-I1683 VanDerWaalsContact O-CG1 3.31Å; I1679-I1683 WeakPolarHBondContact O-CG1 3.37Å; I1679-I1683 PolarHBondContact O-N 3.13Å; I1683-I1687 HydrophobicContact CG2-CD1 3.57Å; I1683-I1687 HydrophobicContact CG2-CG1 4.14Å; I1683-I1687 VanDerWaalsContact O-CB 3.28Å; I1683-I1687 WeakPolarHBondContact O-CB 3.16Å; I1683-I1687 VanDerWaalsContact O-CG1 3.26Å; I1683-I1687 WeakPolarHBondContact O-CG1 3.38Å; I1683-I1687 PolarHBondContact O-N 3.45Å |
| 1684 | F | 35.5 | Very low | 31.8 | Very low | 78 Ų | 78 | 69.7 Ų | 69.7 | 34% | 0.342 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 175.2 | -177.8 | -103.8 | 0 | 0 | 0 | 112 | L1524 T1680 K1681 L1682 T1688 | L1524-F1684 HydrophobicContact CB-CD2 4.29Å; L1524-F1684 HydrophobicContact CB-CE1 4.49Å; L1524-F1684 HydrophobicContact CB-CE2 3.74Å; L1524-F1684 HydrophobicContact CB-CZ 3.85Å; L1524-F1684 HydrophobicContact CD1-CE2 4.07Å; L1524-F1684 HydrophobicContact CD1-CZ 4.28Å; L1524-F1684 HydrophobicContact CD2-CE2 4.11Å; L1524-F1684 HydrophobicContact CG-CE2 4.16Å; L1524-F1684 WeakPolarHBondContact O-CD2 3.22Å; T1680-F1684 WeakPolarHBondContact O-CB 3.49Å; T1680-F1684 PolarHBondContact O-N 3.24Å; K1681-F1684 WeakPolarHBondContact O-CB 3.38Å; K1681-F1684 PolarHBondContact O-N 2.8Å; K1681-F1684 VanDerWaalsContact O-N 3.17Å; L1682-F1684 VanDerWaalsContact C-N 3.3Å; L1682-F1684 PolarHBondContact O-N 2.83Å; F1684-T1688 VanDerWaalsContact O-CB 3.31Å; F1684-T1688 WeakPolarHBondContact O-CB 3.42Å; F1684-T1688 PolarHBondContact O-N 2.84Å; F1684-T1688 VanDerWaalsContact O-N 3.09Å; F1684-T1688 PolarHBondContact O-OG1 2.91Å |
| 1685 | T | 37.6 | Very low | 31.5 | Very low | 73 Ų | 73 | 74.3 Ų | 74.3 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 173 | 43.8 | 0 | 0 | 0 | 0 | 112.2 | K1681 L1682 T1688 Q1689 | K1681-T1685 PolarHBondContact O-N 3.35Å; K1681-T1685 PolarHBondContact O-OG1 3.43Å; L1682-T1685 WeakPolarHBondContact CA-OG1 3.37Å; L1682-T1685 PolarHBondContact O-N 3.08Å; L1682-T1685 PolarHBondContact O-OG1 2.82Å; T1685-T1688 CarbonylContact O-C 3.54Å; T1685-T1688 WeakPolarHBondContact O-CA 3.49Å; T1685-T1688 WeakPolarHBondContact O-CB 3.45Å; T1685-T1688 PolarHBondContact O-N 2.8Å; T1685-T1688 VanDerWaalsContact O-N 3.11Å; T1685-Q1689 WeakPolarHBondContact O-CG 3.48Å; T1685-Q1689 PolarHBondContact O-N 2.86Å; T1685-Q1689 PolarHBondContact O-OE1 3.46Å |
| 1686 | E | 31.9 | Very low | 31 | Very low | 21 Ų | 21 | 71 Ų | 71 | 10% | 0.098 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | -177.9 | -171 | 78.9 | -132 | 0 | 0 | 112 | Q1478 I1481 L1682 Q1689 R1690 | Q1478-E1686 PolarHBondContact NE2-OE2 2.81Å; I1481-E1686 HydrophobicContact CB-CG 4.35Å; I1481-E1686 HydrophobicContact CG2-CB 4.47Å; I1481-E1686 HydrophobicContact CG2-CG 3.48Å; I1481-E1686 VanDerWaalsContact CG2-CG 3.48Å; L1682-E1686 VanDerWaalsContact O-CB 3.27Å; L1682-E1686 WeakPolarHBondContact O-CB 3.28Å; L1682-E1686 PolarHBondContact O-N 2.83Å; E1686-Q1689 PolarHBondContact O-N 3.41Å; E1686-R1690 WeakPolarHBondContact O-CB 3.46Å; E1686-R1690 WeakPolarHBondContact O-CG 3.28Å; E1686-R1690 PolarHBondContact O-N 3.37Å; E1686-R1690 IonicContact OE1-NE 3.17Å; E1686-R1690 PolarHBondContact OE1-NE 2.99Å |
| 1687 | I | 31.6 | Very low | 30.6 | Very low | 28 Ų | 28 | 72.8 Ų | 72.8 | 14% | 0.144 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 171.5 | -68.7 | 175.9 | 0 | 0 | 0 | 110.8 | F1506 I1683 Q1689 R1690 C1691 | F1506-I1687 HydrophobicContact CE1-CD1 4.41Å; F1506-I1687 HydrophobicContact CE1-CG2 4.14Å; F1506-I1687 HydrophobicContact CE2-CD1 4.47Å; F1506-I1687 HydrophobicContact CZ-CD1 4.24Å; I1683-I1687 HydrophobicContact CG2-CD1 3.57Å; I1683-I1687 HydrophobicContact CG2-CG1 4.14Å; I1683-I1687 VanDerWaalsContact O-CB 3.28Å; I1683-I1687 WeakPolarHBondContact O-CB 3.16Å; I1683-I1687 VanDerWaalsContact O-CG1 3.26Å; I1683-I1687 WeakPolarHBondContact O-CG1 3.38Å; I1683-I1687 PolarHBondContact O-N 3.45Å; I1687-Q1689 VanDerWaalsContact C-N 3.33Å; I1687-Q1689 PolarHBondContact O-N 3.32Å; I1687-R1690 PolarHBondContact O-N 3.22Å; I1687-C1691 WeakPolarHBondContact O-CB 3.49Å; I1687-C1691 PolarHBondContact O-N 3.27Å; I1687-C1691 PolarHBondContact O-SG 3.39Å; I1687-C1691 VanDerWaalsContact O-SG 3.33Å |
| 1688 | T | 34.3 | Very low | 29.9 | Very low | 67 Ų | 67 | 79.3 Ų | 79.3 | 41% | 0.411 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.4 | -35.3 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | F1684 T1685 L1692 | F1684-T1688 VanDerWaalsContact O-CB 3.31Å; F1684-T1688 WeakPolarHBondContact O-CB 3.42Å; F1684-T1688 PolarHBondContact O-N 2.84Å; F1684-T1688 VanDerWaalsContact O-N 3.09Å; F1684-T1688 PolarHBondContact O-OG1 2.91Å; T1685-T1688 CarbonylContact O-C 3.54Å; T1685-T1688 WeakPolarHBondContact O-CA 3.49Å; T1685-T1688 WeakPolarHBondContact O-CB 3.45Å; T1685-T1688 PolarHBondContact O-N 2.8Å; T1685-T1688 VanDerWaalsContact O-N 3.11Å; T1688-L1692 WeakPolarHBondContact O-CD1 3.45Å; T1688-L1692 WeakPolarHBondContact O-CG 3.42Å |
| 1689 | Q | 30 | Very low | 29.4 | Very low | 115 Ų | 115 | 84.5 Ų | 84.5 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 172.3 | -72.5 | 164.6 | -60 | 0 | 0 | 111.8 | T1685 E1686 I1687 | T1685-Q1689 WeakPolarHBondContact O-CG 3.48Å; T1685-Q1689 PolarHBondContact O-N 2.86Å; T1685-Q1689 PolarHBondContact O-OE1 3.46Å; E1686-Q1689 PolarHBondContact O-N 3.41Å; I1687-Q1689 VanDerWaalsContact C-N 3.33Å; I1687-Q1689 PolarHBondContact O-N 3.32Å |
| 1690 | R | 28.9 | Very low | 28.9 | Very low | 81 Ų | 81 | 94.6 Ų | 94.6 | 31% | 0.306 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -86.1 | -27.8 | -173.1 | -73.9 | 176.4 | 167.8 | -90.8 | -29.1 | 115.3 | I1481 T1482 E1686 I1687 L1692 A1693 | I1481-R1690 WeakPolarHBondContact O-CD 3.37Å; I1481-R1690 VanDerWaalsContact O-CZ 3.29Å; I1481-R1690 PolarHBondContact O-NE 3.19Å; I1481-R1690 PolarHBondContact O-NH1 3.39Å; T1482-R1690 PolarHBondContact O-NH1 2.91Å; T1482-R1690 PolarHBondContact O-NH2 3.25Å; T1482-R1690 VanDerWaalsContact O-NH2 3.16Å; E1686-R1690 WeakPolarHBondContact O-CB 3.46Å; E1686-R1690 WeakPolarHBondContact O-CG 3.28Å; E1686-R1690 PolarHBondContact O-N 3.37Å; E1686-R1690 IonicContact OE1-NE 3.17Å; E1686-R1690 PolarHBondContact OE1-NE 2.99Å; I1687-R1690 PolarHBondContact O-N 3.22Å; R1690-L1692 PolarHBondContact O-N 2.97Å; R1690-A1693 PolarHBondContact O-N 2.95Å; R1690-A1693 VanDerWaalsContact O-N 3.14Å |
| 1691 | C | 27.4 | Very low | 28 | Very low | 64 Ų | 64 | 101.7 Ų | 101.7 | 43% | 0.432 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 0.6 | 171.1 | -69.9 | 0 | 0 | 0 | 0 | 114 | I1687 | I1687-C1691 WeakPolarHBondContact O-CB 3.49Å; I1687-C1691 PolarHBondContact O-N 3.27Å; I1687-C1691 PolarHBondContact O-SG 3.39Å; I1687-C1691 VanDerWaalsContact O-SG 3.33Å |
| 1692 | L | 26.3 | Very low | 27.3 | Very low | 71 Ų | 71 | 99.6 Ų | 99.6 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -8.5 | 173.8 | -60.4 | 169.5 | 0 | 0 | 0 | 113.5 | T1397 L1400 T1688 R1690 | T1397-L1692 HydrophobicContact CG2-CD2 4.5Å; L1400-L1692 HydrophobicContact CB-CD1 4.16Å; L1400-L1692 HydrophobicContact CD1-CD1 4.01Å; L1400-L1692 HydrophobicContact CD1-CD2 4.04Å; T1688-L1692 WeakPolarHBondContact O-CD1 3.45Å; T1688-L1692 WeakPolarHBondContact O-CG 3.42Å; R1690-L1692 PolarHBondContact O-N 2.97Å |
| 1693 | A | 25.4 | Very low | 26.7 | Very low | 85 Ų | 85 | 104.3 Ų | 104.3 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -113.7 | -2.7 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1690 | R1690-A1693 PolarHBondContact O-N 2.95Å; R1690-A1693 VanDerWaalsContact O-N 3.14Å |
| 1694 | S | 24.8 | Very low | 26.1 | Very low | 68 Ų | 68 | 107.9 Ų | 107.9 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | trans | -122 | 43.8 | -173.5 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | N1696 | S1694-N1696 PolarHBondContact O-N 3.4Š| ||
| 1695 | D | 22.6 | Very low | 25.4 | Very low | 149 Ų | 149 | 110.5 Ų | 110.5 | 80% | 0.797 | 59% | 0.586 | S | S | * | * | trans | -84.5 | 86 | 171 | -133.6 | -14.3 | 0 | 0 | 0 | 109.1 | ||||
| 1696 | N | 23.4 | Very low | 24.6 | Very low | 146 Ų | 146 | 114 Ų | 114 | 78% | 0.781 | 60% | 0.602 | S | S | * | * | trans | -143.3 | 97.8 | 167.6 | -110.3 | -31.5 | 0 | 0 | 0 | 111.8 | S1694 | S1694-N1696 PolarHBondContact O-N 3.4Š| ||
| 1697 | T | 22.8 | Very low | 24.1 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | trans | 30.2 | 122 | 150.3 | 61.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1698 | H | 23 | Very low | 23.6 | Very low | 193 Ų | 193 | 128.6 Ų | 128.6 | 89% | 0.894 | 67% | 0.673 | S | S | * | * | -157.3 | 153.6 | 110.4 | -97.6 | -63.9 | 0 | 0 | 0 | 111.8 | |||||
| 1699 | K | 21.8 | Very low | 22.9 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | trans | -88 | 136.9 | -177.5 | -56.6 | 168.2 | -177.4 | 171.5 | 0 | 110.7 | ||||
| 1700 | R | 20.3 | Very low | 22.6 | Very low | 228 Ų | 228 | 137.2 Ų | 137.2 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -173.2 | 113.2 | 144.6 | -95.3 | 148.7 | -162 | -146 | 4.1 | 105.4 | ||||
| 1701 | Q | 20.6 | Very low | 22.2 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 77% | 0.771 | 72% | 0.723 | S | S | * | * | 59.6 | 113.4 | 71.5 | -65.2 | 168.2 | -64.1 | 0 | 0 | 111.2 | |||||
| 1702 | S | 19.5 | Very low | 21.9 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 57% | 0.566 | 74% | 0.741 | S | S | * | * | cis | 117 | 81.2 | 8.9 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1703 | E | 20.8 | Very low | 21.7 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -159.8 | 131.3 | 159.2 | -99.2 | 128.5 | -138.5 | 0 | 0 | 105 | ||||
| 1704 | S | 20.3 | Very low | 21.5 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | 50.1 | 123.4 | 66.8 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1705 | V | 21.4 | Very low | 21.3 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | -141 | 161.6 | 57.2 | 163.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1706 | D | 20.4 | Very low | 21.1 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -71.5 | 143.3 | -178.9 | -55.6 | -96.5 | 0 | 0 | 0 | 115.4 | ||||
| 1707 | I | 19.9 | Very low | 21 | Very low | 165 Ų | 165 | 150 Ų | 150 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -133 | 125.2 | 163 | -61 | -178.9 | 0 | 0 | 0 | 109.9 | ||||
| 1708 | Q | 21.4 | Very low | 21 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -90.5 | 111 | 178.8 | -68 | -161.1 | 22.9 | 0 | 0 | 113.4 | ||||
| 1709 | R | 20.8 | Very low | 20.9 | Very low | 220 Ų | 220 | 149 Ų | 149 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | 8 | 124.9 | 140.1 | -60.3 | 171.2 | 177.1 | 161 | -1.3 | 117.4 | ||||
| 1710 | N | 22.8 | Very low | 21 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | -142.1 | 160.7 | 128 | -110.4 | -15.3 | 0 | 0 | 0 | 111.3 | K307 | K307-N1710 PolarHBondContact NZ-OD1 2.98Š| |||
| 1711 | S | 21.4 | Very low | 21.3 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -154.1 | 139.2 | -159.9 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1712 | Q | 21.3 | Very low | 21.7 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -165.9 | 138.7 | 152.8 | -112.3 | 169.7 | 26.8 | 0 | 0 | 112.4 | ||||
| 1713 | N | 21.6 | Very low | 22.4 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | 64.7 | 154.2 | 151.7 | -52.7 | -21.5 | 0 | 0 | 0 | 118 | ||||
| 1714 | S | 20.2 | Very low | 23.3 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | cis | -139 | 162.7 | 1.5 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1715 | T | 20.3 | Very low | 24.4 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | trans | -85.6 | 150.5 | -178.4 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1716 | S | 19.7 | Very low | 25.3 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | -177.8 | 167.8 | 126.9 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1717 | L | 21.3 | Very low | 26.4 | Very low | 158 Ų | 158 | 118.3 Ų | 118.3 | 83% | 0.827 | 64% | 0.638 | S | S | * | * | trans | 62.7 | 101.3 | 164.5 | -57 | 175.6 | 0 | 0 | 0 | 119.8 | ||||
| 1718 | I | 21.8 | Very low | 27.5 | Very low | 166 Ų | 166 | 114.2 Ų | 114.2 | 85% | 0.851 | 61% | 0.613 | S | S | * | * | trans | -172.5 | 129.3 | 131.3 | -97.1 | 153.7 | 0 | 0 | 0 | 109.5 | ||||
| 1719 | P | 21.4 | Very low | 28.7 | Very low | 109 Ų | 109 | 106 Ų | 106 | 71% | 0.708 | 58% | 0.576 | S | S | * | * | trans | -80.5 | 145.4 | 179.7 | -17 | 32.7 | 0 | 0 | 0 | 116.1 | ||||
| 1720 | T | 23.7 | Very low | 29.3 | Very low | 105 Ų | 105 | 104 Ų | 104 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | trans | 40.2 | 92.4 | 141 | 59.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1721 | F | 26.5 | Very low | 30 | Very low | 197 Ų | 197 | 103.1 Ų | 103.1 | 86% | 0.864 | 56% | 0.555 | S | S | * | * | trans | -144.8 | 72.1 | 133.5 | -94.6 | -69.9 | 0 | 0 | 0 | 108.2 | ||||
| 1722 | Q | 28.7 | Very low | 30.9 | Very low | 42 Ų | 42 | 101.4 Ų | 101.4 | 20% | 0.196 | 54% | 0.535 | C | S | . | . | trans | -78.6 | 148.4 | 174.8 | -71.9 | 167 | -33.9 | 0 | 0 | 110.3 | E1727 W1768 | Q1722-E1727 WeakPolarHBondContact CA-OE2 3.47Å; Q1722-W1768 HydrophobicContact CB-CH2 3.67Å; Q1722-W1768 HydrophobicContact CB-CZ2 4.27Å; Q1722-W1768 HydrophobicContact CG-CH2 4.3Å | ||
| 1723 | N | 34 | Very low | 31.3 | Very low | 65 Ų | 65 | 101.9 Ų | 101.9 | 35% | 0.348 | 54% | 0.537 | S | S | . | . | trans | 147.9 | 73.1 | 140.1 | -71.9 | -24.1 | 0 | 0 | 0 | 113.2 | E1727 S1750 G1751 W1768 | N1723-E1727 PolarHBondContact N-OE2 2.98Å; N1723-S1750 WeakPolarHBondContact CA-OG 3.18Å; N1723-S1750 VanDerWaalsContact CG-C 3.5Å; N1723-S1750 PolarHBondContact ND2-O 2.95Å; N1723-S1750 PolarHBondContact OD1-O 3.17Å; N1723-S1750 VanDerWaalsContact OD1-O 3.11Å; N1723-S1750 PolarHBondContact OD1-OG 3.31Å; N1723-G1751 PolarHBondContact OD1-N 2.98Å; N1723-W1768 WeakPolarHBondContact OD1-CH2 3.29Å | ||
| 1724 | S | 41.2 | Very low | 32 | Very low | 49 Ų | 49 | 97.4 Ų | 97.4 | 34% | 0.343 | 52% | 0.521 | S | S | . | . | trans | -156.1 | 152.3 | 157.5 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | A1726 E1727 Y1728 | S1724-A1726 PolarHBondContact O-N 3.44Å; S1724-E1727 WeakPolarHBondContact O-CB 3.27Å; S1724-E1727 PolarHBondContact O-N 3.49Å; S1724-E1727 WeakPolarHBondContact OG-CB 3.11Å; S1724-E1727 PolarHBondContact OG-N 3.48Å; S1724-E1727 VanDerWaalsContact OG-N 3.07Å; S1724-Y1728 PolarHBondContact O-N 3.3Å; S1724-Y1728 VanDerWaalsContact O-N 3.1Å | ||
| 1725 | L | 43.5 | Very low | 32.6 | Very low | 33 Ų | 33 | 97.6 Ų | 97.6 | 17% | 0.173 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -59.8 | -33.1 | 171.9 | -165.9 | 74.9 | 0 | 0 | 0 | 111.1 | E1727 Y1728 C1729 I1736 T1744 E1748 | L1725-E1727 VanDerWaalsContact C-N 3.32Å; L1725-E1727 PolarHBondContact O-N 2.77Å; L1725-Y1728 PolarHBondContact O-N 3.22Å; L1725-C1729 WeakPolarHBondContact O-CB 3.2Å; L1725-C1729 PolarHBondContact O-N 3.13Å; L1725-I1736 HydrophobicContact CB-CD1 4.37Å; L1725-I1736 HydrophobicContact CD2-CD1 3.89Å; L1725-I1736 HydrophobicContact CD2-CG1 4.48Å; L1725-I1736 HydrophobicContact CG-CD1 4.03Å; L1725-T1744 HydrophobicContact CB-CG2 3.58Å; L1725-T1744 HydrophobicContact CD2-CG2 3.6Å; L1725-T1744 HydrophobicContact CG-CG2 4.21Å; L1725-E1748 WeakPolarHBondContact CB-OE2 3.48Å; L1725-E1748 WeakPolarHBondContact CD2-OE2 3.27Å |
| 1726 | A | 40.5 | Very low | 33.4 | Very low | 39 Ų | 39 | 93.7 Ų | 93.7 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1724 W1730 L1741 | S1724-A1726 PolarHBondContact O-N 3.44Å; A1726-W1730 WeakPolarHBondContact O-CB 3.44Å; A1726-W1730 PolarHBondContact O-N 2.9Å; A1726-L1741 HydrophobicContact CB-CD1 4.37Å |
| 1727 | E | 42 | Very low | 34.1 | Very low | 28 Ų | 28 | 90.4 Ų | 90.4 | 13% | 0.131 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 173.7 | -166.5 | -161.4 | 162.4 | 0 | 0 | 112.1 | Q1722 N1723 S1724 L1725 W1730 R1731 | Q1722-E1727 WeakPolarHBondContact CA-OE2 3.47Å; N1723-E1727 PolarHBondContact N-OE2 2.98Å; S1724-E1727 WeakPolarHBondContact O-CB 3.27Å; S1724-E1727 PolarHBondContact O-N 3.49Å; S1724-E1727 WeakPolarHBondContact OG-CB 3.11Å; S1724-E1727 PolarHBondContact OG-N 3.48Å; S1724-E1727 VanDerWaalsContact OG-N 3.07Å; L1725-E1727 VanDerWaalsContact C-N 3.32Å; L1725-E1727 PolarHBondContact O-N 2.77Å; E1727-W1730 HydrophobicContact CG-CE3 3.92Å; E1727-W1730 HydrophobicContact CG-CZ3 4.32Å; E1727-W1730 PolarHBondContact O-N 3.28Å; E1727-R1731 WeakPolarHBondContact O-CB 3.07Å; E1727-R1731 WeakPolarHBondContact O-CG 3.31Å; E1727-R1731 PolarHBondContact O-N 3.06Å; E1727-R1731 IonicContact OE1-CZ 2.87Å; E1727-R1731 VanDerWaalsContact OE1-CZ 3.23Å; E1727-R1731 IonicContact OE1-NE 2.75Å; E1727-R1731 PolarHBondContact OE1-NE 2.71Å; E1727-R1731 IonicContact OE1-NH2 3.19Å; E1727-R1731 PolarHBondContact OE1-NH2 3.45Å |
| 1728 | Y | 44.5 | Very low | 34.7 | Very low | 79 Ų | 79 | 87.1 Ų | 87.1 | 31% | 0.31 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 173.7 | 177.4 | -94.1 | 0 | 0 | 0 | 111 | S1724 L1725 W1730 R1731 Q1732 | S1724-Y1728 PolarHBondContact O-N 3.3Å; S1724-Y1728 VanDerWaalsContact O-N 3.1Å; L1725-Y1728 PolarHBondContact O-N 3.22Å; Y1728-W1730 VanDerWaalsContact C-N 3.35Å; Y1728-W1730 PolarHBondContact O-N 3.27Å; Y1728-R1731 PolarHBondContact O-N 3.16Å; Y1728-Q1732 HydrophobicContact CD1-CG 4.24Å; Y1728-Q1732 HydrophobicContact CD2-CG 4.33Å; Y1728-Q1732 HydrophobicContact CE1-CG 3.89Å; Y1728-Q1732 HydrophobicContact CE2-CG 3.99Å; Y1728-Q1732 HydrophobicContact CG-CG 4.45Å; Y1728-Q1732 WeakPolarHBondContact O-CB 3.47Å; Y1728-Q1732 VanDerWaalsContact O-CG 3.24Å; Y1728-Q1732 WeakPolarHBondContact O-CG 3.19Å; Y1728-Q1732 PolarHBondContact O-N 3.09Å |
| 1729 | C | 44.6 | Very low | 35.7 | Very low | 16 Ų | 16 | 83.2 Ų | 83.2 | 11% | 0.108 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 174.8 | -74.4 | 0 | 0 | 0 | 0 | 112.3 | L1725 Q1732 H1733 A1734 I1736 | L1725-C1729 WeakPolarHBondContact O-CB 3.2Å; L1725-C1729 PolarHBondContact O-N 3.13Å; C1729-Q1732 CarbonylContact O-C 3.5Å; C1729-Q1732 PolarHBondContact O-N 3.36Å; C1729-H1733 PolarHBondContact O-N 3.27Å; C1729-A1734 WeakPolarHBondContact CB-O 3.34Å; C1729-A1734 PolarHBondContact O-N 3.33Å; C1729-I1736 HydrophobicContact CB-CD1 4.08Å; C1729-I1736 HydrophobicContact CB-CG1 4.41Å |
| 1730 | W | 34.2 | Very low | 36.5 | Very low | 178 Ų | 178 | 83 Ų | 83 | 67% | 0.674 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | 174.9 | 175.5 | 60.7 | 0 | 0 | 0 | 112.8 | A1726 E1727 Y1728 H1733 | A1726-W1730 WeakPolarHBondContact O-CB 3.44Å; A1726-W1730 PolarHBondContact O-N 2.9Å; E1727-W1730 HydrophobicContact CG-CE3 3.92Å; E1727-W1730 HydrophobicContact CG-CZ3 4.32Å; E1727-W1730 PolarHBondContact O-N 3.28Å; Y1728-W1730 VanDerWaalsContact C-N 3.35Å; Y1728-W1730 PolarHBondContact O-N 3.27Å; W1730-H1733 PolarHBondContact O-N 2.78Å |
| 1731 | R | 38.3 | Very low | 37.1 | Very low | 125 Ų | 125 | 81.4 Ų | 81.4 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.8 | -31.9 | 176.2 | -72.5 | 177.7 | -176.8 | -95.1 | 3.1 | 113.5 | E1727 Y1728 H1733 | E1727-R1731 WeakPolarHBondContact O-CB 3.07Å; E1727-R1731 WeakPolarHBondContact O-CG 3.31Å; E1727-R1731 PolarHBondContact O-N 3.06Å; E1727-R1731 IonicContact OE1-CZ 2.87Å; E1727-R1731 VanDerWaalsContact OE1-CZ 3.23Å; E1727-R1731 IonicContact OE1-NE 2.75Å; E1727-R1731 PolarHBondContact OE1-NE 2.71Å; E1727-R1731 IonicContact OE1-NH2 3.19Å; E1727-R1731 PolarHBondContact OE1-NH2 3.45Å; Y1728-R1731 PolarHBondContact O-N 3.16Å; R1731-H1733 VanDerWaalsContact C-N 3.29Å |
| 1732 | Q | 38.9 | Very low | 37.6 | Very low | 66 Ų | 66 | 76.6 Ų | 76.6 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.5 | 176.4 | -63.8 | -72.7 | -15.2 | 0 | 0 | 112.8 | Y1728 C1729 A1734 H1785 | Y1728-Q1732 HydrophobicContact CD1-CG 4.24Å; Y1728-Q1732 HydrophobicContact CD2-CG 4.33Å; Y1728-Q1732 HydrophobicContact CE1-CG 3.89Å; Y1728-Q1732 HydrophobicContact CE2-CG 3.99Å; Y1728-Q1732 HydrophobicContact CG-CG 4.45Å; Y1728-Q1732 WeakPolarHBondContact O-CB 3.47Å; Y1728-Q1732 VanDerWaalsContact O-CG 3.24Å; Y1728-Q1732 WeakPolarHBondContact O-CG 3.19Å; Y1728-Q1732 PolarHBondContact O-N 3.09Å; C1729-Q1732 CarbonylContact O-C 3.5Å; C1729-Q1732 PolarHBondContact O-N 3.36Å; Q1732-A1734 HydrophobicContact CB-CB 4.26Å; Q1732-A1734 PolarHBondContact O-N 2.98Å; Q1732-A1734 VanDerWaalsContact O-N 3.09Å; Q1732-H1785 PolarHBondContact OE1-CE1 3.38Å; Q1732-H1785 VanDerWaalsContact OE1-CE1 3.28Å; Q1732-H1785 PolarHBondContact OE1-ND1 2.88Å |
| 1733 | H | 30.5 | Very low | 38.1 | Very low | 180 Ų | 180 | 79 Ų | 79 | 83% | 0.833 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 29.4 | -172.1 | -66.1 | -93.7 | 0 | 0 | 0 | 114.2 | C1729 W1730 R1731 | C1729-H1733 PolarHBondContact O-N 3.27Å; W1730-H1733 PolarHBondContact O-N 2.78Å; R1731-H1733 VanDerWaalsContact C-N 3.29Å |
| 1734 | A | 36.9 | Very low | 38.4 | Very low | 53 Ų | 53 | 76.9 Ų | 76.9 | 44% | 0.438 | 41% | 0.407 | S | S | . | . | trans | -97.6 | 146.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1729 Q1732 | C1729-A1734 WeakPolarHBondContact CB-O 3.34Å; C1729-A1734 PolarHBondContact O-N 3.33Å; Q1732-A1734 HydrophobicContact CB-CB 4.26Å; Q1732-A1734 PolarHBondContact O-N 2.98Å; Q1732-A1734 VanDerWaalsContact O-N 3.09Å | ||
| 1735 | S | 32 | Very low | 38.3 | Very low | 122 Ų | 122 | 79.6 Ų | 79.6 | 85% | 0.853 | 42% | 0.416 | S | S | * | . | trans | -80.5 | 151.3 | 178.1 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1736 | I | 37.7 | Very low | 38.2 | Very low | 50 Ų | 50 | 83.8 Ų | 83.8 | 26% | 0.256 | 44% | 0.439 | S | S | . | . | trans | -119.5 | 134.9 | 175.3 | -120.6 | 169.4 | 0 | 0 | 0 | 108.9 | L1725 C1729 K1740 L1741 | L1725-I1736 HydrophobicContact CB-CD1 4.37Å; L1725-I1736 HydrophobicContact CD2-CD1 3.89Å; L1725-I1736 HydrophobicContact CD2-CG1 4.48Å; L1725-I1736 HydrophobicContact CG-CD1 4.03Å; C1729-I1736 HydrophobicContact CB-CD1 4.08Å; C1729-I1736 HydrophobicContact CB-CG1 4.41Å; I1736-K1740 HydrophobicContact CG1-CB 4.5Å; I1736-L1741 HydrophobicContact CG2-CB 3.85Å; I1736-L1741 HydrophobicContact CG2-CD1 4.19Å | ||
| 1737 | A | 33.1 | Very low | 38.6 | Very low | 39 Ų | 39 | 84.8 Ų | 84.8 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | trans | -79 | 143.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1739 K1740 L1741 | A1737-I1739 VanDerWaalsContact C-N 3.28Å; A1737-I1739 HydrophobicContact CB-CG2 4.43Å; A1737-I1739 PolarHBondContact O-N 3.24Å; A1737-I1739 VanDerWaalsContact O-N 3.13Å; A1737-K1740 WeakPolarHBondContact O-CA 3.44Å; A1737-K1740 WeakPolarHBondContact O-CB 3.36Å; A1737-K1740 PolarHBondContact O-N 3.19Å; A1737-L1741 PolarHBondContact O-N 2.96Å | ||
| 1738 | S | 35.6 | Very low | 39 | Very low | 88 Ų | 88 | 84.9 Ų | 84.9 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -47.2 | -45.7 | -179.1 | 175.2 | 0 | 0 | 0 | 0 | 113.7 | K1740 L1741 L1742 | S1738-K1740 VanDerWaalsContact C-N 3.26Å; S1738-K1740 PolarHBondContact O-N 2.97Å; S1738-L1741 WeakPolarHBondContact O-CA 3.25Å; S1738-L1741 WeakPolarHBondContact O-CB 3.38Å; S1738-L1741 PolarHBondContact O-N 3.02Å; S1738-L1742 PolarHBondContact O-N 2.89Å |
| 1739 | I | 42.7 | Very low | 39.9 | Very low | 85 Ų | 85 | 81.6 Ų | 81.6 | 44% | 0.436 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.7 | -31.7 | 177.3 | -162 | 67.2 | 0 | 0 | 0 | 113.9 | A1737 N1743 | A1737-I1739 VanDerWaalsContact C-N 3.28Å; A1737-I1739 HydrophobicContact CB-CG2 4.43Å; A1737-I1739 PolarHBondContact O-N 3.24Å; A1737-I1739 VanDerWaalsContact O-N 3.13Å; I1739-N1743 PolarHBondContact O-N 3.36Å; I1739-N1743 PolarHBondContact O-OD1 3.36Å |
| 1740 | K | 37.7 | Very low | 41.1 | Very low | 105 Ų | 105 | 81.3 Ų | 81.3 | 46% | 0.457 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -76.7 | -40.7 | 173.1 | -70.8 | -167.6 | 171.4 | -169.7 | 0 | 110.8 | I1736 A1737 S1738 L1742 N1743 T1744 | I1736-K1740 HydrophobicContact CG1-CB 4.5Å; A1737-K1740 WeakPolarHBondContact O-CA 3.44Å; A1737-K1740 WeakPolarHBondContact O-CB 3.36Å; A1737-K1740 PolarHBondContact O-N 3.19Å; S1738-K1740 VanDerWaalsContact C-N 3.26Å; S1738-K1740 PolarHBondContact O-N 2.97Å; K1740-L1742 PolarHBondContact O-N 3.02Å; K1740-N1743 PolarHBondContact O-N 3.47Å; K1740-T1744 WeakPolarHBondContact O-CG2 3.46Å; K1740-T1744 PolarHBondContact O-N 3.33Å; K1740-T1744 PolarHBondContact O-OG1 3.25Å |
| 1741 | L | 36.4 | Very low | 43 | Very low | 71 Ų | 71 | 73 Ų | 73 | 37% | 0.372 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 175.2 | -170.9 | 68.5 | 0 | 0 | 0 | 111.6 | A1726 I1736 A1737 S1738 T1744 I1745 | A1726-L1741 HydrophobicContact CB-CD1 4.37Å; I1736-L1741 HydrophobicContact CG2-CB 3.85Å; I1736-L1741 HydrophobicContact CG2-CD1 4.19Å; A1737-L1741 PolarHBondContact O-N 2.96Å; S1738-L1741 WeakPolarHBondContact O-CA 3.25Å; S1738-L1741 WeakPolarHBondContact O-CB 3.38Å; S1738-L1741 PolarHBondContact O-N 3.02Å; L1741-T1744 WeakPolarHBondContact CA-OG1 3.46Å; L1741-T1744 PolarHBondContact O-N 3Å; L1741-T1744 PolarHBondContact O-OG1 3.01Å; L1741-I1745 WeakPolarHBondContact O-CG1 3.46Å |
| 1742 | L | 36.8 | Very low | 44.8 | Very low | 95 Ų | 95 | 69.3 Ų | 69.3 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -56.8 | 173.8 | -68.8 | 167.7 | 0 | 0 | 0 | 111.2 | S1738 K1740 T1744 I1745 | S1738-L1742 PolarHBondContact O-N 2.89Å; K1740-L1742 PolarHBondContact O-N 3.02Å; L1742-T1744 PolarHBondContact O-N 3Å; L1742-T1744 VanDerWaalsContact O-N 3.11Å; L1742-I1745 WeakPolarHBondContact O-CB 3.45Å; L1742-I1745 PolarHBondContact O-N 3.45Å |
| 1743 | N | 38.1 | Very low | 46.9 | Very low | 94 Ų | 94 | 66.3 Ų | 66.3 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.8 | -31.2 | 178.5 | -69.8 | 12.6 | 0 | 0 | 0 | 113.5 | I1739 K1740 I1745 D1746 N1747 | I1739-N1743 PolarHBondContact O-N 3.36Å; I1739-N1743 PolarHBondContact O-OD1 3.36Å; K1740-N1743 PolarHBondContact O-N 3.47Å; N1743-I1745 PolarHBondContact O-N 3.44Å; N1743-D1746 PolarHBondContact O-N 3.28Å; N1743-N1747 PolarHBondContact O-N 3.37Å |
| 1744 | T | 40.3 | Very low | 49.4 | Very low | 19 Ų | 19 | 59.7 Ų | 59.7 | 12% | 0.117 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.4 | -15 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 114.8 | L1725 K1740 L1741 L1742 E1748 | L1725-T1744 HydrophobicContact CB-CG2 3.58Å; L1725-T1744 HydrophobicContact CD2-CG2 3.6Å; L1725-T1744 HydrophobicContact CG-CG2 4.21Å; K1740-T1744 WeakPolarHBondContact O-CG2 3.46Å; K1740-T1744 PolarHBondContact O-N 3.33Å; K1740-T1744 PolarHBondContact O-OG1 3.25Å; L1741-T1744 WeakPolarHBondContact CA-OG1 3.46Å; L1741-T1744 PolarHBondContact O-N 3Å; L1741-T1744 PolarHBondContact O-OG1 3.01Å; L1742-T1744 PolarHBondContact O-N 3Å; L1742-T1744 VanDerWaalsContact O-N 3.11Å; T1744-E1748 HydrophobicContact CG2-CB 4.36Å; T1744-E1748 HydrophobicContact CG2-CG 4.13Å; T1744-E1748 WeakPolarHBondContact CG2-OE1 3.44Å; T1744-E1748 WeakPolarHBondContact CG2-OE2 3.38Å |
| 1745 | I | 39 | Very low | 51.5 | Low | 106 Ų | 106 | 62.5 Ų | 62.5 | 54% | 0.544 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -78.8 | -37.6 | 178.1 | -68.1 | 164.6 | 0 | 0 | 0 | 110.5 | L1741 L1742 N1743 | L1741-I1745 WeakPolarHBondContact O-CG1 3.46Å; L1742-I1745 WeakPolarHBondContact O-CB 3.45Å; L1742-I1745 PolarHBondContact O-N 3.45Å; N1743-I1745 PolarHBondContact O-N 3.44Å |
| 1746 | D | 42.5 | Very low | 53.4 | Low | 121 Ų | 121 | 58.2 Ų | 58.2 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -95.9 | -37.5 | -168.4 | -58.3 | -33.8 | 0 | 0 | 0 | 114 | N1743 | N1743-D1746 PolarHBondContact O-N 3.28Å |
| 1747 | N | 47.7 | Very low | 54.7 | Low | 61 Ų | 61 | 58 Ų | 58 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -132.1 | -3.1 | -166.3 | -75 | -77.3 | 0 | 0 | 0 | 116 | N1743 I1866 | N1743-N1747 PolarHBondContact O-N 3.37Å; N1747-I1866 HydrophobicContact CB-CD1 4.42Å; N1747-I1866 HydrophobicContact CB-CG1 4.45Å |
| 1748 | E | 51.7 | Low | 55.9 | Low | 30 Ų | 30 | 63.4 Ų | 63.4 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | trans | -96.5 | 130.7 | -178.2 | -63.2 | -163.4 | -157.5 | 0 | 0 | 113.5 | L1725 T1744 L1771 S1772 | L1725-E1748 WeakPolarHBondContact CB-OE2 3.48Å; L1725-E1748 WeakPolarHBondContact CD2-OE2 3.27Å; T1744-E1748 HydrophobicContact CG2-CB 4.36Å; T1744-E1748 HydrophobicContact CG2-CG 4.13Å; T1744-E1748 WeakPolarHBondContact CG2-OE1 3.44Å; T1744-E1748 WeakPolarHBondContact CG2-OE2 3.38Å; E1748-L1771 VanDerWaalsContact CA-O 3.3Å; E1748-L1771 WeakPolarHBondContact CA-O 3.31Å; E1748-S1772 VanDerWaalsContact OE2-CB 3.24Å; E1748-S1772 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 1749 | M | 63.6 | Low | 56.6 | Low | 10 Ų | 10 | 70 Ų | 70 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155.5 | 176.5 | -90.5 | -174.6 | 54 | 0 | 0 | 110.8 | I1770 L1771 R1858 W1859 S1862 | M1749-I1770 CarbonylContact O-C 3.5Å; M1749-I1770 WeakPolarHBondContact O-CA 3.47Å; M1749-L1771 HydrophobicContact CB-CB 4.17Å; M1749-L1771 HydrophobicContact CB-CD2 4.42Å; M1749-L1771 PolarHBondContact N-O 2.9Å; M1749-L1771 PolarHBondContact O-N 3.44Å; M1749-R1858 HydrophobicContact CE-CB 4.33Å; M1749-R1858 HydrophobicContact CE-CG 4.12Å; M1749-R1858 HydrophobicContact SD-CB 4.36Å; M1749-R1858 HydrophobicContact SD-CG 3.64Å; M1749-W1859 HydrophobicContact CB-CH2 4.5Å; M1749-W1859 HydrophobicContact CB-CZ3 4.43Å; M1749-W1859 HydrophobicContact CE-CB 4.42Å; M1749-W1859 HydrophobicContact CE-CD2 3.52Å; M1749-W1859 HydrophobicContact CE-CE3 4Å; M1749-W1859 HydrophobicContact CE-CG 3.7Å; M1749-W1859 HydrophobicContact CE-CZ2 4.25Å; M1749-S1862 PolarHBondContact SD-OG 3.38Å |
| 1750 | S | 69.6 | Low | 56.8 | Low | 10 Ų | 10 | 69.5 Ų | 69.5 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 169.9 | 161.4 | 35.2 | 0 | 0 | 0 | 0 | 109.8 | N1723 T1769 | N1723-S1750 WeakPolarHBondContact CA-OG 3.18Å; N1723-S1750 VanDerWaalsContact CG-C 3.5Å; N1723-S1750 PolarHBondContact ND2-O 2.95Å; N1723-S1750 PolarHBondContact OD1-O 3.17Å; N1723-S1750 VanDerWaalsContact OD1-O 3.11Å; N1723-S1750 PolarHBondContact OD1-OG 3.31Å; S1750-T1769 CarbonylContact C-O 3.56Å; S1750-T1769 WeakPolarHBondContact CA-O 3.3Å |
| 1751 | G | 72.9 | Confident | 57.2 | Low | 4 Ų | 4 | 68.2 Ų | 68.2 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.8 | 173 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | N1723 T1769 | N1723-G1751 PolarHBondContact OD1-N 2.98Å; G1751-T1769 PolarHBondContact N-O 2.94Å; G1751-T1769 PolarHBondContact O-N 3.29Å |
| 1752 | Y | 77.7 | Confident | 58.1 | Low | 46 Ų | 46 | 71.8 Ų | 71.8 | 18% | 0.18 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 136.4 | 171.2 | -68.4 | -73 | 0 | 0 | 0 | 111.4 | K1766 L1767 W1768 | Y1752-K1766 HydrophobicContact CD1-CD 4.09Å; Y1752-K1766 VanDerWaalsContact CD1-CE 3.4Å; Y1752-K1766 HydrophobicContact CD1-CG 3.66Å; Y1752-K1766 VanDerWaalsContact CD2-CE 3.47Å; Y1752-K1766 HydrophobicContact CE1-CD 4.49Å; Y1752-K1766 HydrophobicContact CE1-CG 4.31Å; Y1752-K1766 HydrophobicContact CG-CD 4.27Å; Y1752-K1766 HydrophobicContact CG-CG 4.12Å; Y1752-L1767 WeakPolarHBondContact CA-O 3.49Å; Y1752-W1768 HydrophobicContact CD1-CB 4.29Å; Y1752-W1768 AromaticContact CD1-CE3 3.81Å; Y1752-W1768 HydrophobicContact CD1-CE3 3.81Å; Y1752-W1768 AromaticContact CD2-CE3 3.79Å; Y1752-W1768 HydrophobicContact CD2-CE3 3.79Å; Y1752-W1768 AromaticContact CD2-CZ3 3.78Å; Y1752-W1768 HydrophobicContact CD2-CZ3 3.78Å; Y1752-W1768 HydrophobicContact CE1-CB 4.05Å; Y1752-W1768 AromaticContact CE1-CE3 3.72Å; Y1752-W1768 HydrophobicContact CE1-CE3 3.72Å; Y1752-W1768 AromaticContact CE2-CE3 3.67Å; Y1752-W1768 HydrophobicContact CE2-CE3 3.67Å; Y1752-W1768 AromaticContact CE2-CZ3 3.7Å; Y1752-W1768 HydrophobicContact CE2-CZ3 3.7Å; Y1752-W1768 AromaticContact CG-CE3 3.85Å; Y1752-W1768 HydrophobicContact CG-CE3 3.85Å; Y1752-W1768 HydrophobicContact CG-CZ3 4.23Å; Y1752-W1768 AromaticContact CZ-CE3 3.63Å |
| 1753 | L | 83.2 | Confident | 59 | Low | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139 | 162.9 | -75.9 | 173.9 | 0 | 0 | 0 | 108.2 | L1767 T1769 F1848 A1850 W1859 | L1753-L1767 PolarHBondContact N-O 3.36Å; L1753-L1767 PolarHBondContact O-N 2.81Å; L1753-T1769 HydrophobicContact CD1-CG2 4.15Å; L1753-F1848 HydrophobicContact CB-CD1 4.38Å; L1753-A1850 HydrophobicContact CD2-CB 4.03Å; L1753-W1859 HydrophobicContact CD1-CD2 3.92Å; L1753-W1859 HydrophobicContact CD1-CE3 4.12Å; L1753-W1859 HydrophobicContact CD1-CG 4.48Å; L1753-W1859 HydrophobicContact CD1-CH2 4.2Å; L1753-W1859 HydrophobicContact CD1-CZ2 3.99Å; L1753-W1859 HydrophobicContact CD1-CZ3 4.25Å; L1753-W1859 HydrophobicContact CD2-CD2 4.27Å; L1753-W1859 HydrophobicContact CD2-CG 4.09Å; L1753-W1859 HydrophobicContact CG-CD2 4.26Å; L1753-W1859 HydrophobicContact CG-CZ2 4.02Å |
| 1754 | F | 81.5 | Confident | 60.7 | Low | 41 Ų | 41 | 70.4 Ų | 70.4 | 18% | 0.18 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 114.5 | 170.1 | -61.2 | -84.9 | 0 | 0 | 0 | 108.9 | K1764 Q1765 K1766 F1848 Q1849 E1851 | F1754-K1764 HydrophobicContact CB-CB 4.3Å; F1754-K1764 HydrophobicContact CD1-CB 4.23Å; F1754-Q1765 CarbonylContact C-O 3.55Å; F1754-Q1765 WeakPolarHBondContact CA-O 3.48Å; F1754-K1766 HydrophobicContact CD1-CB 3.76Å; F1754-K1766 HydrophobicContact CD1-CG 4.13Å; F1754-K1766 HydrophobicContact CE1-CB 3.67Å; F1754-K1766 HydrophobicContact CE1-CD 3.79Å; F1754-K1766 HydrophobicContact CE1-CG 3.78Å; F1754-K1766 HydrophobicContact CZ-CD 4.06Å; F1754-K1766 HydrophobicContact CZ-CG 4.32Å; F1754-F1848 CarbonylContact O-C 3.51Å; F1754-F1848 WeakPolarHBondContact O-CA 3.34Å; F1754-Q1849 HydrophobicContact CB-CB 4.29Å; F1754-Q1849 PolarHBondContact N-O 3.07Å; F1754-Q1849 PolarHBondContact O-N 3.37Å; F1754-E1851 HydrophobicContact CE2-CG 3.65Å; F1754-E1851 HydrophobicContact CZ-CG 4.24Å |
| 1755 | R | 81.4 | Confident | 62.5 | Low | 112 Ų | 112 | 74.9 Ų | 74.9 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127.1 | 168.6 | -179.7 | -176.5 | 178.6 | -167.5 | 0.7 | 108.9 | Q1765 L1767 F1848 | R1755-Q1765 HydrophobicContact CB-CB 4.42Å; R1755-Q1765 PolarHBondContact N-O 3.32Å; R1755-Q1765 PolarHBondContact O-N 3.23Å; R1755-L1767 HydrophobicContact CB-CD1 3.96Å; R1755-F1848 HydrophobicContact CB-CD1 4.25Å; R1755-F1848 HydrophobicContact CB-CE1 4.14Å; R1755-F1848 HydrophobicContact CG-CE1 4.26Å |
| 1756 | L | 73.1 | Confident | 64.5 | Low | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 151.9 | 174.9 | -72.3 | 155.7 | 0 | 0 | 0 | 111.3 | K1764 I1836 H1847 | L1756-K1764 HydrophobicContact CD2-CD 4.29Å; L1756-K1764 HydrophobicContact CD2-CG 3.78Å; L1756-I1836 HydrophobicContact CD1-CD1 3.69Å; L1756-I1836 HydrophobicContact CD1-CG1 3.89Å; L1756-I1836 HydrophobicContact CD1-CG2 3.88Å; L1756-H1847 HydrophobicContact CB-CB 4.03Å; L1756-H1847 HydrophobicContact CD1-CB 4Å; L1756-H1847 PolarHBondContact N-O 2.82Å |
| 1757 | S | 64.6 | Low | 66.5 | Low | 46 Ų | 46 | 69 Ų | 69 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 156.7 | 169.7 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | R1759 T1761 | S1757-R1759 PolarHBondContact OG-N 2.74Å; S1757-R1759 VanDerWaalsContact OG-N 3.17Å; S1757-T1761 WeakPolarHBondContact CB-O 3.31Å; S1757-T1761 VanDerWaalsContact CB-OG1 3.24Å; S1757-T1761 WeakPolarHBondContact CB-OG1 3.15Å; S1757-T1761 PolarHBondContact OG-OG1 2.66Å |
| 1758 | K | 57.9 | Low | 68.2 | Low | 151 Ų | 151 | 67 Ų | 67 | 66% | 0.657 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -91.3 | -17 | 167.1 | -77 | -153.4 | 174.8 | -148.3 | 0 | 113.9 | D1845 | K1758-D1845 WeakPolarHBondContact CE-O 3.38Å; K1758-D1845 PolarHBondContact NZ-O 3.46Å |
| 1759 | R | 49.7 | Very low | 69.7 | Low | 227 Ų | 227 | 65.6 Ų | 65.6 | 86% | 0.857 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -106.8 | 44.6 | -167.8 | -75.2 | -171.8 | 166.6 | -173.1 | -4.8 | 113.2 | S1757 T1761 | S1757-R1759 PolarHBondContact OG-N 2.74Å; S1757-R1759 VanDerWaalsContact OG-N 3.17Å; R1759-T1761 PolarHBondContact O-N 3.28Å |
| 1760 | G | 47.3 | Very low | 70.4 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 67.2 | -22.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | N1762 | G1760-N1762 PolarHBondContact O-N 2.8Š|
| 1761 | T | 47 | Very low | 70.6 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 48% | 0.479 | 33% | 0.328 | S | S | . | . | trans | -61.9 | 123 | 178.4 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | S1757 R1759 S1763 | S1757-T1761 WeakPolarHBondContact CB-O 3.31Å; S1757-T1761 VanDerWaalsContact CB-OG1 3.24Å; S1757-T1761 WeakPolarHBondContact CB-OG1 3.15Å; S1757-T1761 PolarHBondContact OG-OG1 2.66Å; R1759-T1761 PolarHBondContact O-N 3.28Å; T1761-S1763 PolarHBondContact O-N 3.23Å; T1761-S1763 PolarHBondContact O-OG 2.92Å; T1761-S1763 PolarHBondContact OG1-OG 2.9Å | ||
| 1762 | N | 54.1 | Low | 70.1 | Confident | 146 Ų | 146 | 65.4 Ų | 65.4 | 78% | 0.781 | 33% | 0.328 | S | S | * | . | trans | -67.3 | 13.4 | 177 | -85.5 | -44 | 0 | 0 | 0 | 114.6 | G1760 K1764 | G1760-N1762 PolarHBondContact O-N 2.8Å; N1762-K1764 PolarHBondContact O-N 3.28Å | ||
| 1763 | S | 56.4 | Low | 69.3 | Low | 65 Ų | 65 | 67.5 Ų | 67.5 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | trans | -63.5 | 110.7 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | T1761 | T1761-S1763 PolarHBondContact O-N 3.23Å; T1761-S1763 PolarHBondContact O-OG 2.92Å; T1761-S1763 PolarHBondContact OG1-OG 2.9Å | ||
| 1764 | K | 72.8 | Confident | 68.5 | Low | 94 Ų | 94 | 69.9 Ų | 69.9 | 41% | 0.409 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 114.3 | 179.3 | -68 | 176.4 | -168.2 | -168.4 | 0 | 110.6 | F1754 L1756 N1762 | F1754-K1764 HydrophobicContact CB-CB 4.3Å; F1754-K1764 HydrophobicContact CD1-CB 4.23Å; L1756-K1764 HydrophobicContact CD2-CD 4.29Å; L1756-K1764 HydrophobicContact CD2-CG 3.78Å; N1762-K1764 PolarHBondContact O-N 3.28Å |
| 1765 | Q | 79 | Confident | 68 | Low | 114 Ų | 114 | 68 Ų | 68 | 53% | 0.533 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 111.3 | 175.7 | -72.1 | -176.3 | -15.7 | 0 | 0 | 110.4 | F1754 R1755 L1767 | F1754-Q1765 CarbonylContact C-O 3.55Å; F1754-Q1765 WeakPolarHBondContact CA-O 3.48Å; R1755-Q1765 HydrophobicContact CB-CB 4.42Å; R1755-Q1765 PolarHBondContact N-O 3.32Å; R1755-Q1765 PolarHBondContact O-N 3.23Å; Q1765-L1767 PolarHBondContact O-N 3.09Å |
| 1766 | K | 81.8 | Confident | 68.1 | Low | 88 Ų | 88 | 62.6 Ų | 62.6 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 114.3 | 175.2 | -172.3 | 170.3 | -175.3 | 163 | 0 | 110 | Y1752 F1754 E1851 | Y1752-K1766 HydrophobicContact CD1-CD 4.09Å; Y1752-K1766 VanDerWaalsContact CD1-CE 3.4Å; Y1752-K1766 HydrophobicContact CD1-CG 3.66Å; Y1752-K1766 VanDerWaalsContact CD2-CE 3.47Å; Y1752-K1766 HydrophobicContact CE1-CD 4.49Å; Y1752-K1766 HydrophobicContact CE1-CG 4.31Å; Y1752-K1766 HydrophobicContact CG-CD 4.27Å; Y1752-K1766 HydrophobicContact CG-CG 4.12Å; F1754-K1766 HydrophobicContact CD1-CB 3.76Å; F1754-K1766 HydrophobicContact CD1-CG 4.13Å; F1754-K1766 HydrophobicContact CE1-CB 3.67Å; F1754-K1766 HydrophobicContact CE1-CD 3.79Å; F1754-K1766 HydrophobicContact CE1-CG 3.78Å; F1754-K1766 HydrophobicContact CZ-CD 4.06Å; F1754-K1766 HydrophobicContact CZ-CG 4.32Å; K1766-E1851 WeakPolarHBondContact CE-OE1 3.44Å; K1766-E1851 IonicContact NZ-OE1 3.34Å; K1766-E1851 PolarHBondContact NZ-OE1 2.84Å |
| 1767 | L | 84.2 | Confident | 68.5 | Low | 16 Ų | 16 | 62.3 Ų | 62.3 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132 | -177.6 | -62 | 175.9 | 0 | 0 | 0 | 110.6 | Y1752 L1753 R1755 Q1765 T1769 F1778 L1788 | Y1752-L1767 WeakPolarHBondContact CA-O 3.49Å; L1753-L1767 PolarHBondContact N-O 3.36Å; L1753-L1767 PolarHBondContact O-N 2.81Å; R1755-L1767 HydrophobicContact CB-CD1 3.96Å; Q1765-L1767 PolarHBondContact O-N 3.09Å; L1767-T1769 PolarHBondContact O-N 3.11Å; L1767-T1769 PolarHBondContact O-OG1 3.21Å; L1767-F1778 HydrophobicContact CB-CD1 4.15Å; L1767-F1778 HydrophobicContact CD1-CB 4.37Å; L1767-F1778 HydrophobicContact CD1-CD1 4Å; L1767-F1778 HydrophobicContact CD1-CG 4.43Å; L1767-L1788 HydrophobicContact CD2-CD1 3.82Å |
| 1768 | W | 82.8 | Confident | 69.6 | Low | 18 Ų | 18 | 60.7 Ų | 60.7 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 115.6 | 168.8 | -175.7 | -102.3 | 0 | 0 | 0 | 109 | Q1722 N1723 Y1752 F1778 Y1779 | Q1722-W1768 HydrophobicContact CB-CH2 3.67Å; Q1722-W1768 HydrophobicContact CB-CZ2 4.27Å; Q1722-W1768 HydrophobicContact CG-CH2 4.3Å; N1723-W1768 WeakPolarHBondContact OD1-CH2 3.29Å; Y1752-W1768 HydrophobicContact CD1-CB 4.29Å; Y1752-W1768 AromaticContact CD1-CE3 3.81Å; Y1752-W1768 HydrophobicContact CD1-CE3 3.81Å; Y1752-W1768 AromaticContact CD2-CE3 3.79Å; Y1752-W1768 HydrophobicContact CD2-CE3 3.79Å; Y1752-W1768 AromaticContact CD2-CZ3 3.78Å; Y1752-W1768 HydrophobicContact CD2-CZ3 3.78Å; Y1752-W1768 HydrophobicContact CE1-CB 4.05Å; Y1752-W1768 AromaticContact CE1-CE3 3.72Å; Y1752-W1768 HydrophobicContact CE1-CE3 3.72Å; Y1752-W1768 AromaticContact CE2-CE3 3.67Å; Y1752-W1768 HydrophobicContact CE2-CE3 3.67Å; Y1752-W1768 AromaticContact CE2-CZ3 3.7Å; Y1752-W1768 HydrophobicContact CE2-CZ3 3.7Å; Y1752-W1768 AromaticContact CG-CE3 3.85Å; Y1752-W1768 HydrophobicContact CG-CE3 3.85Å; Y1752-W1768 HydrophobicContact CG-CZ3 4.23Å; Y1752-W1768 AromaticContact CZ-CE3 3.63Å; W1768-F1778 CarbonylContact O-C 3.54Å; W1768-F1778 WeakPolarHBondContact O-CA 3.26Å; W1768-Y1779 PolarHBondContact N-O 2.89Å; W1768-Y1779 PolarHBondContact O-N 3.43Å |
| 1769 | T | 83.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.2 | -172.8 | -49.6 | 0 | 0 | 0 | 0 | 110.2 | S1750 G1751 L1753 L1767 L1776 K1777 F1778 W1859 | S1750-T1769 CarbonylContact C-O 3.56Å; S1750-T1769 WeakPolarHBondContact CA-O 3.3Å; G1751-T1769 PolarHBondContact N-O 2.94Å; G1751-T1769 PolarHBondContact O-N 3.29Å; L1753-T1769 HydrophobicContact CD1-CG2 4.15Å; L1767-T1769 PolarHBondContact O-N 3.11Å; L1767-T1769 PolarHBondContact O-OG1 3.21Å; T1769-L1776 HydrophobicContact CG2-CB 4.15Å; T1769-L1776 HydrophobicContact CG2-CD2 3.91Å; T1769-K1777 CarbonylContact C-O 3.54Å; T1769-K1777 WeakPolarHBondContact CA-O 3.37Å; T1769-F1778 HydrophobicContact CG2-CD1 3.74Å; T1769-F1778 HydrophobicContact CG2-CE1 3.5Å; T1769-F1778 HydrophobicContact CG2-CG 4.47Å; T1769-F1778 HydrophobicContact CG2-CZ 4.06Å; T1769-F1778 VanDerWaalsContact OG1-CD1 3.24Å; T1769-F1778 WeakPolarHBondContact OG1-CD1 3.28Å; T1769-F1778 WeakPolarHBondContact OG1-CE1 3.43Å; T1769-W1859 HydrophobicContact CG2-CH2 3.8Å; T1769-W1859 HydrophobicContact CG2-CZ3 4.25Å |
| 1770 | I | 77.7 | Confident | 71.8 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124 | 175.5 | -48.8 | -176.6 | 0 | 0 | 0 | 108.9 | M1749 L1776 K1777 Y1779 | M1749-I1770 CarbonylContact O-C 3.5Å; M1749-I1770 WeakPolarHBondContact O-CA 3.47Å; I1770-L1776 CarbonylContact O-C 3.49Å; I1770-L1776 WeakPolarHBondContact O-CA 3.27Å; I1770-K1777 HydrophobicContact CB-CB 4.36Å; I1770-K1777 PolarHBondContact N-O 3.43Å; I1770-K1777 PolarHBondContact O-N 3.09Å; I1770-Y1779 HydrophobicContact CD1-CD2 4.27Å; I1770-Y1779 HydrophobicContact CD1-CE2 3.77Å; I1770-Y1779 HydrophobicContact CG1-CD2 4.35Å; I1770-Y1779 HydrophobicContact CG1-CE2 4.09Å |
| 1771 | L | 73.7 | Confident | 73 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 109.9 | 170.5 | -179 | 63.1 | 0 | 0 | 0 | 108.5 | E1748 M1749 C1775 L1776 L1793 W1859 I1863 I1866 | E1748-L1771 VanDerWaalsContact CA-O 3.3Å; E1748-L1771 WeakPolarHBondContact CA-O 3.31Å; M1749-L1771 HydrophobicContact CB-CB 4.17Å; M1749-L1771 HydrophobicContact CB-CD2 4.42Å; M1749-L1771 PolarHBondContact N-O 2.9Å; M1749-L1771 PolarHBondContact O-N 3.44Å; L1771-C1775 WeakPolarHBondContact CA-O 3.5Å; L1771-L1776 HydrophobicContact CB-CD2 4.05Å; L1771-L1776 HydrophobicContact CD1-CD2 3.77Å; L1771-L1776 HydrophobicContact CD1-CG 4.27Å; L1771-L1776 HydrophobicContact CG-CD2 4.45Å; L1771-L1793 HydrophobicContact CD1-CD1 3.75Å; L1771-W1859 HydrophobicContact CB-CZ3 3.96Å; L1771-I1863 HydrophobicContact CD2-CG1 4.42Å; L1771-I1866 HydrophobicContact CD1-CD1 3.78Å; L1771-I1866 HydrophobicContact CD2-CD1 3.79Å; L1771-I1866 HydrophobicContact CG-CD1 3.86Å |
| 1772 | S | 64.1 | Low | 73.7 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 159.9 | 167.4 | 84.5 | 0 | 0 | 0 | 0 | 110.5 | E1748 V1774 C1775 K1777 | E1748-S1772 VanDerWaalsContact OE2-CB 3.24Å; E1748-S1772 WeakPolarHBondContact OE2-CB 3.47Å; S1772-V1774 PolarHBondContact O-N 2.87Å; S1772-V1774 VanDerWaalsContact O-N 3.15Å; S1772-C1775 PolarHBondContact N-O 3.32Å; S1772-C1775 VanDerWaalsContact N-O 3.11Å; S1772-C1775 PolarHBondContact O-N 2.87Å; S1772-C1775 PolarHBondContact O-SG 3.27Å; S1772-K1777 PolarHBondContact OG-NZ 3.31Å |
| 1773 | D | 59.1 | Low | 73.8 | Confident | 90 Ų | 90 | 44.3 Ų | 44.3 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 35.3 | 177.4 | -38.7 | -76.6 | 0 | 0 | 0 | 113.8 | C1775 K1777 | D1773-C1775 VanDerWaalsContact C-N 3.26Å; D1773-C1775 PolarHBondContact O-N 3.3Å; D1773-K1777 IonicContact OD2-NZ 3.13Å; D1773-K1777 PolarHBondContact OD2-NZ 3.01Å |
| 1774 | V | 66.8 | Low | 73.9 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 30.6 | -176.9 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | S1772 L1793 I1866 | S1772-V1774 PolarHBondContact O-N 2.87Å; S1772-V1774 VanDerWaalsContact O-N 3.15Å; V1774-L1793 HydrophobicContact CG1-CB 4.04Å; V1774-L1793 PolarHBondContact O-N 2.91Å; V1774-I1866 HydrophobicContact CB-CG2 4.18Å; V1774-I1866 HydrophobicContact CG1-CG2 3.57Å; V1774-I1866 HydrophobicContact CG2-CG2 4.05Å |
| 1775 | C | 71 | Confident | 73.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147.9 | 173.6 | 66.3 | 0 | 0 | 0 | 0 | 114 | L1771 S1772 D1773 K1777 R1790 L1791 W1792 | L1771-C1775 WeakPolarHBondContact CA-O 3.5Å; S1772-C1775 PolarHBondContact N-O 3.32Å; S1772-C1775 VanDerWaalsContact N-O 3.11Å; S1772-C1775 PolarHBondContact O-N 2.87Å; S1772-C1775 PolarHBondContact O-SG 3.27Å; D1773-C1775 VanDerWaalsContact C-N 3.26Å; D1773-C1775 PolarHBondContact O-N 3.3Å; C1775-K1777 WeakPolarHBondContact SG-CE 3.35Å; C1775-R1790 HydrophobicContact CB-CG 3.89Å; C1775-L1791 CarbonylContact C-O 3.59Å; C1775-L1791 VanDerWaalsContact CA-O 3.29Å; C1775-L1791 WeakPolarHBondContact CA-O 3.47Å; C1775-L1791 WeakPolarHBondContact CB-O 3.39Å; C1775-W1792 HydrophobicContact CB-CD2 3.91Å; C1775-W1792 HydrophobicContact CB-CE3 3.63Å; C1775-W1792 HydrophobicContact CB-CG 4.3Å; C1775-W1792 HydrophobicContact CB-CZ3 4.19Å |
| 1776 | L | 83.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.3 | 170.2 | -64.9 | 168.2 | 0 | 0 | 0 | 108.9 | T1769 I1770 L1771 F1778 R1790 L1791 L1793 I1839 W1859 I1863 | T1769-L1776 HydrophobicContact CG2-CB 4.15Å; T1769-L1776 HydrophobicContact CG2-CD2 3.91Å; I1770-L1776 CarbonylContact O-C 3.49Å; I1770-L1776 WeakPolarHBondContact O-CA 3.27Å; L1771-L1776 HydrophobicContact CB-CD2 4.05Å; L1771-L1776 HydrophobicContact CD1-CD2 3.77Å; L1771-L1776 HydrophobicContact CD1-CG 4.27Å; L1771-L1776 HydrophobicContact CG-CD2 4.45Å; L1776-F1778 HydrophobicContact CB-CE2 3.79Å; L1776-F1778 HydrophobicContact CB-CZ 3.79Å; L1776-F1778 HydrophobicContact CD1-CZ 4.29Å; L1776-R1790 CarbonylContact O-C 3.55Å; L1776-R1790 VanDerWaalsContact O-CA 3.25Å; L1776-R1790 WeakPolarHBondContact O-CA 3.37Å; L1776-L1791 HydrophobicContact CB-CB 4.36Å; L1776-L1791 HydrophobicContact CD1-CD2 4.44Å; L1776-L1791 PolarHBondContact N-O 3.17Å; L1776-L1791 PolarHBondContact O-N 2.92Å; L1776-L1793 HydrophobicContact CD1-CD2 4.33Å; L1776-L1793 HydrophobicContact CG-CD1 4.41Å; L1776-I1839 HydrophobicContact CD1-CD1 3.6Å; L1776-W1859 HydrophobicContact CD2-CE3 4.2Å; L1776-W1859 HydrophobicContact CD2-CH2 4.38Å; L1776-W1859 HydrophobicContact CD2-CZ3 3.52Å; L1776-I1863 HydrophobicContact CD1-CD1 4.2Å; L1776-I1863 HydrophobicContact CD2-CD1 4.42Å |
| 1777 | K | 81.7 | Confident | 71.6 | Confident | 26 Ų | 26 | 44 Ų | 44 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.7 | -177.2 | -63.6 | 171.7 | -169.6 | 173.6 | 0 | 108.6 | T1769 I1770 S1772 D1773 C1775 Y1779 L1787 R1790 | T1769-K1777 CarbonylContact C-O 3.54Å; T1769-K1777 WeakPolarHBondContact CA-O 3.37Å; I1770-K1777 HydrophobicContact CB-CB 4.36Å; I1770-K1777 PolarHBondContact N-O 3.43Å; I1770-K1777 PolarHBondContact O-N 3.09Å; S1772-K1777 PolarHBondContact OG-NZ 3.31Å; D1773-K1777 IonicContact OD2-NZ 3.13Å; D1773-K1777 PolarHBondContact OD2-NZ 3.01Å; C1775-K1777 WeakPolarHBondContact SG-CE 3.35Å; K1777-Y1779 HydrophobicContact CB-CE2 3.93Å; K1777-L1787 HydrophobicContact CB-CD1 3.67Å; K1777-L1787 HydrophobicContact CG-CD1 4.41Å; K1777-R1790 HydrophobicContact CG-CG 4.26Å |
| 1778 | F | 86.5 | Confident | 71.2 | Confident | 11 Ų | 11 | 48 Ų | 48 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.8 | -172.7 | -58.3 | -87.5 | 0 | 0 | 0 | 111.8 | L1767 W1768 T1769 L1776 L1787 L1788 A1789 L1791 F1848 | L1767-F1778 HydrophobicContact CB-CD1 4.15Å; L1767-F1778 HydrophobicContact CD1-CB 4.37Å; L1767-F1778 HydrophobicContact CD1-CD1 4Å; L1767-F1778 HydrophobicContact CD1-CG 4.43Å; W1768-F1778 CarbonylContact O-C 3.54Å; W1768-F1778 WeakPolarHBondContact O-CA 3.26Å; T1769-F1778 HydrophobicContact CG2-CD1 3.74Å; T1769-F1778 HydrophobicContact CG2-CE1 3.5Å; T1769-F1778 HydrophobicContact CG2-CG 4.47Å; T1769-F1778 HydrophobicContact CG2-CZ 4.06Å; T1769-F1778 VanDerWaalsContact OG1-CD1 3.24Å; T1769-F1778 WeakPolarHBondContact OG1-CD1 3.28Å; T1769-F1778 WeakPolarHBondContact OG1-CE1 3.43Å; L1776-F1778 HydrophobicContact CB-CE2 3.79Å; L1776-F1778 HydrophobicContact CB-CZ 3.79Å; L1776-F1778 HydrophobicContact CD1-CZ 4.29Å; F1778-L1787 WeakPolarHBondContact O-CD1 3.39Å; F1778-L1788 WeakPolarHBondContact O-CB 3.49Å; F1778-L1788 PolarHBondContact O-N 3.11Å; F1778-A1789 HydrophobicContact CB-CB 4.28Å; F1778-A1789 HydrophobicContact CD2-CB 4.11Å; F1778-A1789 PolarHBondContact N-O 3.42Å; F1778-A1789 PolarHBondContact O-N 3.39Å; F1778-L1791 HydrophobicContact CE2-CB 4.02Å; F1778-F1848 HydrophobicContact CE1-CD1 4.4Å; F1778-F1848 AromaticContact CE1-CE1 3.55Å; F1778-F1848 HydrophobicContact CE1-CE1 3.55Å; F1778-F1848 AromaticContact CE1-CZ 3.91Å; F1778-F1848 HydrophobicContact CE1-CZ 3.91Å; F1778-F1848 AromaticContact CZ-CE1 3.71Å; F1778-F1848 HydrophobicContact CZ-CE1 3.71Å; F1778-F1848 AromaticContact CZ-CZ 3.54Å; F1778-F1848 HydrophobicContact CZ-CZ 3.54Å |
| 1779 | Y | 79.8 | Confident | 71.1 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 13% | 0.129 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.3 | -179.1 | -59.8 | -98.1 | 0 | 0 | 0 | 109.9 | W1768 I1770 K1777 H1784 L1787 | W1768-Y1779 PolarHBondContact N-O 2.89Å; W1768-Y1779 PolarHBondContact O-N 3.43Å; I1770-Y1779 HydrophobicContact CD1-CD2 4.27Å; I1770-Y1779 HydrophobicContact CD1-CE2 3.77Å; I1770-Y1779 HydrophobicContact CG1-CD2 4.35Å; I1770-Y1779 HydrophobicContact CG1-CE2 4.09Å; K1777-Y1779 HydrophobicContact CB-CE2 3.93Å; Y1779-H1784 WeakPolarHBondContact CD1-O 3.38Å; Y1779-L1787 HydrophobicContact CD1-CD1 4.35Å; Y1779-L1787 HydrophobicContact CD2-CD1 4.09Å; Y1779-L1787 HydrophobicContact CE1-CB 4.02Å; Y1779-L1787 HydrophobicContact CE1-CD1 3.89Å; Y1779-L1787 HydrophobicContact CE2-CD1 3.57Å; Y1779-L1787 HydrophobicContact CG-CD1 4.46Å; Y1779-L1787 VanDerWaalsContact CZ-CD1 3.47Å |
| 1780 | N | 75.3 | Confident | 70.9 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -69.9 | -42.2 | -179.6 | -160.2 | 27.8 | 0 | 0 | 0 | 111.5 | H1784 L1788 | N1780-H1784 PolarHBondContact ND2-NE2 3.33Å; N1780-L1788 HydrophobicContact CB-CD1 3.92Å; N1780-L1788 HydrophobicContact CB-CG 4.47Å |
| 1781 | S | 71.2 | Confident | 71.1 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -148 | 168.7 | 167.9 | 76.3 | 0 | 0 | 0 | 0 | 110.4 | N1783 H1784 | S1781-N1783 PolarHBondContact O-N 2.93Å; S1781-N1783 VanDerWaalsContact O-N 3.11Å; S1781-H1784 WeakPolarHBondContact O-CB 3.38Å; S1781-H1784 PolarHBondContact O-N 3.46Å; S1781-H1784 PolarHBondContact OG-ND1 3.03Å |
| 1782 | Y | 61.6 | Low | 71.3 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.4 | 179.2 | 66.7 | -89.8 | 0 | 0 | 0 | 114.9 | ||
| 1783 | N | 57.2 | Low | 71.8 | Confident | 93 Ų | 93 | 59.5 Ų | 59.5 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -8.6 | 176.2 | -79.8 | -12.2 | 0 | 0 | 0 | 113.4 | S1781 H1785 | S1781-N1783 PolarHBondContact O-N 2.93Å; S1781-N1783 VanDerWaalsContact O-N 3.11Å; N1783-H1785 PolarHBondContact O-N 3.23Å; N1783-H1785 VanDerWaalsContact O-N 3.12Å |
| 1784 | H | 59.4 | Low | 71.7 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 38% | 0.375 | 29% | 0.29 | S | S | . | . | trans | -74.3 | 106.4 | 177.7 | -80.8 | 63.9 | 0 | 0 | 0 | 110 | Y1779 N1780 S1781 K1786 | Y1779-H1784 WeakPolarHBondContact CD1-O 3.38Å; N1780-H1784 PolarHBondContact ND2-NE2 3.33Å; S1781-H1784 WeakPolarHBondContact O-CB 3.38Å; S1781-H1784 PolarHBondContact O-N 3.46Å; S1781-H1784 PolarHBondContact OG-ND1 3.03Å; H1784-K1786 PolarHBondContact O-N 3.42Å | ||
| 1785 | H | 55.3 | Low | 71.1 | Confident | 143 Ų | 143 | 58.2 Ų | 58.2 | 66% | 0.662 | 29% | 0.288 | S | S | * | . | trans | -60 | -17 | 173.2 | -57.6 | -91.1 | 0 | 0 | 0 | 113.4 | Q1732 N1783 | Q1732-H1785 PolarHBondContact OE1-CE1 3.38Å; Q1732-H1785 VanDerWaalsContact OE1-CE1 3.28Å; Q1732-H1785 PolarHBondContact OE1-ND1 2.88Å; N1783-H1785 PolarHBondContact O-N 3.23Å; N1783-H1785 VanDerWaalsContact O-N 3.12Å | ||
| 1786 | K | 59.7 | Low | 70.3 | Confident | 104 Ų | 104 | 65.1 Ų | 65.1 | 45% | 0.452 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -103.2 | 117.7 | -170.8 | -163.4 | 172.2 | -178.3 | 178.8 | 0 | 110.7 | H313 R314 H1784 | H313-K1786 PolarHBondContact O-NZ 3.37Å; R314-K1786 WeakPolarHBondContact O-CE 3.44Å; R314-K1786 PolarHBondContact O-NZ 2.99Å; H1784-K1786 PolarHBondContact O-N 3.42Å |
| 1787 | L | 68.3 | Low | 69.2 | Low | 27 Ų | 27 | 73.1 Ų | 73.1 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | trans | -67.3 | 130 | 178.9 | -174.3 | 73.3 | 0 | 0 | 0 | 110.9 | K1777 F1778 Y1779 A1789 R1790 | K1777-L1787 HydrophobicContact CB-CD1 3.67Å; K1777-L1787 HydrophobicContact CG-CD1 4.41Å; F1778-L1787 WeakPolarHBondContact O-CD1 3.39Å; Y1779-L1787 HydrophobicContact CD1-CD1 4.35Å; Y1779-L1787 HydrophobicContact CD2-CD1 4.09Å; Y1779-L1787 HydrophobicContact CE1-CB 4.02Å; Y1779-L1787 HydrophobicContact CE1-CD1 3.89Å; Y1779-L1787 HydrophobicContact CE2-CD1 3.57Å; Y1779-L1787 HydrophobicContact CG-CD1 4.46Å; Y1779-L1787 VanDerWaalsContact CZ-CD1 3.47Å; L1787-A1789 WeakPolarHBondContact CD1-O 3.44Å; L1787-R1790 HydrophobicContact CD2-CB 4.35Å | ||
| 1788 | L | 76 | Confident | 68.7 | Low | 99 Ų | 99 | 72.6 Ų | 72.6 | 52% | 0.518 | 36% | 0.355 | S | S | . | . | trans | -80.9 | -47.1 | 173.7 | -66.3 | 179.3 | 0 | 0 | 0 | 111.9 | L1767 F1778 N1780 | L1767-L1788 HydrophobicContact CD2-CD1 3.82Å; F1778-L1788 WeakPolarHBondContact O-CB 3.49Å; F1778-L1788 PolarHBondContact O-N 3.11Å; N1780-L1788 HydrophobicContact CB-CD1 3.92Å; N1780-L1788 HydrophobicContact CB-CG 4.47Å | ||
| 1789 | A | 81.2 | Confident | 68.4 | Low | 47 Ų | 47 | 75.4 Ų | 75.4 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 163.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1778 L1787 | F1778-A1789 HydrophobicContact CB-CB 4.28Å; F1778-A1789 HydrophobicContact CD2-CB 4.11Å; F1778-A1789 PolarHBondContact N-O 3.42Å; F1778-A1789 PolarHBondContact O-N 3.39Å; L1787-A1789 WeakPolarHBondContact CD1-O 3.44Å |
| 1790 | R | 79.8 | Confident | 68.6 | Low | 91 Ų | 91 | 75 Ų | 75 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.3 | 170.2 | -170.4 | -178.6 | -64.5 | -168.8 | 6.6 | 110.8 | C1775 L1776 K1777 L1787 W1792 | C1775-R1790 HydrophobicContact CB-CG 3.89Å; L1776-R1790 CarbonylContact O-C 3.55Å; L1776-R1790 VanDerWaalsContact O-CA 3.25Å; L1776-R1790 WeakPolarHBondContact O-CA 3.37Å; K1777-R1790 HydrophobicContact CG-CG 4.26Å; L1787-R1790 HydrophobicContact CD2-CB 4.35Å; R1790-W1792 VanDerWaalsContact NH1-CZ2 3.33Å |
| 1791 | L | 81.4 | Confident | 68.9 | Low | 18 Ų | 18 | 74.7 Ų | 74.7 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.2 | 170.3 | -174.4 | 63.4 | 0 | 0 | 0 | 108.5 | C1775 L1776 F1778 I1839 V1841 Y1846 F1848 | C1775-L1791 CarbonylContact C-O 3.59Å; C1775-L1791 VanDerWaalsContact CA-O 3.29Å; C1775-L1791 WeakPolarHBondContact CA-O 3.47Å; C1775-L1791 WeakPolarHBondContact CB-O 3.39Å; L1776-L1791 HydrophobicContact CB-CB 4.36Å; L1776-L1791 HydrophobicContact CD1-CD2 4.44Å; L1776-L1791 PolarHBondContact N-O 3.17Å; L1776-L1791 PolarHBondContact O-N 2.92Å; F1778-L1791 HydrophobicContact CE2-CB 4.02Å; L1791-I1839 HydrophobicContact CD2-CG2 4.33Å; L1791-V1841 HydrophobicContact CD1-CB 4.13Å; L1791-V1841 HydrophobicContact CD1-CG1 4.37Å; L1791-V1841 HydrophobicContact CD1-CG2 3.86Å; L1791-V1841 HydrophobicContact CD2-CG2 4.14Å; L1791-V1841 HydrophobicContact CG-CG2 4.15Å; L1791-Y1846 HydrophobicContact CD1-CD2 4.17Å; L1791-Y1846 HydrophobicContact CD1-CE2 3.73Å; L1791-Y1846 HydrophobicContact CD2-CD2 3.94Å; L1791-Y1846 HydrophobicContact CD2-CE2 4.36Å; L1791-Y1846 HydrophobicContact CD2-CG 4.25Å; L1791-F1848 HydrophobicContact CD2-CE2 4.48Å |
| 1792 | W | 78.1 | Confident | 69.3 | Low | 123 Ų | 123 | 76.3 Ų | 76.3 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.6 | 177.5 | -65 | 94.8 | 0 | 0 | 0 | 110.2 | C1775 R1790 | C1775-W1792 HydrophobicContact CB-CD2 3.91Å; C1775-W1792 HydrophobicContact CB-CE3 3.63Å; C1775-W1792 HydrophobicContact CB-CG 4.3Å; C1775-W1792 HydrophobicContact CB-CZ3 4.19Å; R1790-W1792 VanDerWaalsContact NH1-CZ2 3.33Å |
| 1793 | L | 74.3 | Confident | 69.8 | Low | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | trans | -97.8 | -13.4 | -176.4 | -57.7 | 172.7 | 0 | 0 | 0 | 112.9 | L1771 V1774 L1776 T1795 C1798 I1839 I1863 I1866 L1867 | L1771-L1793 HydrophobicContact CD1-CD1 3.75Å; V1774-L1793 HydrophobicContact CG1-CB 4.04Å; V1774-L1793 PolarHBondContact O-N 2.91Å; L1776-L1793 HydrophobicContact CD1-CD2 4.33Å; L1776-L1793 HydrophobicContact CG-CD1 4.41Å; L1793-T1795 PolarHBondContact O-N 3.44Å; L1793-C1798 WeakPolarHBondContact O-CB 3.4Å; L1793-I1839 HydrophobicContact CD2-CG2 4.21Å; L1793-I1863 HydrophobicContact CD1-CG1 4.35Å; L1793-I1863 HydrophobicContact CD1-CG2 4.24Å; L1793-I1863 HydrophobicContact CD2-CG2 4.43Å; L1793-I1866 HydrophobicContact CD1-CG2 4.38Å; L1793-L1867 HydrophobicContact CB-CD2 4.36Å; L1793-L1867 VanDerWaalsContact O-CD2 3.32Å; L1793-L1867 WeakPolarHBondContact O-CD2 3.21Å | ||
| 1794 | S | 57.7 | Low | 69.7 | Low | 70 Ų | 70 | 73.9 Ų | 73.9 | 49% | 0.49 | 37% | 0.373 | S | S | . | . | trans | -75.9 | 16.2 | -170.9 | 53.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1795 | T | 54.2 | Low | 68.8 | Low | 47 Ų | 47 | 73.6 Ų | 73.6 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -96.3 | 139.7 | -178.4 | 58.3 | 0 | 0 | 0 | 0 | 111 | L1793 R1797 C1798 | L1793-T1795 PolarHBondContact O-N 3.44Å; T1795-R1797 PolarHBondContact O-N 3.26Å; T1795-C1798 WeakPolarHBondContact O-CB 3.37Å; T1795-C1798 PolarHBondContact O-N 3.19Å; T1795-C1798 VanDerWaalsContact O-N 3.1Å |
| 1796 | N | 53.2 | Low | 67.9 | Low | 146 Ų | 146 | 71.3 Ų | 71.3 | 78% | 0.781 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 0.8 | 176.5 | -81.9 | 38.6 | 0 | 0 | 0 | 115.1 | R1874 | N1796-R1874 PolarHBondContact OD1-NH1 3.38Š|
| 1797 | R | 60.5 | Low | 66.4 | Low | 168 Ų | 168 | 71.8 Ų | 71.8 | 63% | 0.634 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | 43.5 | 176 | -59.7 | -177.3 | -177.6 | 176.7 | 0.8 | 110.7 | T1795 V1841 N1842 | T1795-R1797 PolarHBondContact O-N 3.26Å; R1797-V1841 WeakPolarHBondContact O-CA 3.27Å; R1797-N1842 PolarHBondContact O-N 2.94Å |
| 1798 | C | 72.4 | Confident | 64.4 | Low | 15 Ų | 15 | 78 Ų | 78 | 10% | 0.101 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 105.9 | 172.5 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | L1793 T1795 S1840 V1841 L1867 | L1793-C1798 WeakPolarHBondContact O-CB 3.4Å; T1795-C1798 WeakPolarHBondContact O-CB 3.37Å; T1795-C1798 PolarHBondContact O-N 3.19Å; T1795-C1798 VanDerWaalsContact O-N 3.1Å; C1798-S1840 VanDerWaalsContact CA-O 3.3Å; C1798-S1840 WeakPolarHBondContact CA-O 3.42Å; C1798-V1841 HydrophobicContact CB-CG2 4.45Å; C1798-L1867 HydrophobicContact CB-CD2 3.87Å |
| 1799 | T | 79 | Confident | 62.1 | Low | 70 Ų | 70 | 80.5 Ų | 80.5 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 157.2 | 169.6 | 64 | 0 | 0 | 0 | 0 | 110.7 | E1801 I1839 S1840 | T1799-E1801 PolarHBondContact OG1-OE1 2.83Å; T1799-I1839 WeakPolarHBondContact O-CA 3.29Å; T1799-S1840 PolarHBondContact N-O 3.33Å; T1799-S1840 PolarHBondContact O-N 3.42Å; T1799-S1840 WeakPolarHBondContact OG1-CB 3.28Å |
| 1800 | V | 85.6 | Confident | 59.4 | Low | 23 Ų | 23 | 87.9 Ų | 87.9 | 14% | 0.139 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.6 | 171.7 | 64.2 | 0 | 0 | 0 | 0 | 109.1 | I1837 K1838 I1839 F1860 I1863 S1864 L1867 | V1800-I1837 HydrophobicContact CG2-CG2 3.62Å; V1800-K1838 WeakPolarHBondContact CA-O 3.23Å; V1800-I1839 HydrophobicContact CG2-CG1 4.31Å; V1800-F1860 HydrophobicContact CG1-CE2 4.18Å; V1800-F1860 HydrophobicContact CG2-CD2 3.85Å; V1800-F1860 HydrophobicContact CG2-CE2 4.01Å; V1800-I1863 HydrophobicContact CB-CG2 4.04Å; V1800-I1863 HydrophobicContact CG1-CG2 4.15Å; V1800-I1863 HydrophobicContact CG2-CG2 4.06Å; V1800-S1864 VanDerWaalsContact CG1-OG 3.26Å; V1800-S1864 WeakPolarHBondContact CG1-OG 3.44Å; V1800-L1867 HydrophobicContact CB-CD1 4.2Å; V1800-L1867 HydrophobicContact CG1-CD1 3.79Å |
| 1801 | E | 81.7 | Confident | 56.8 | Low | 83 Ų | 83 | 86.1 Ų | 86.1 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.8 | -175.5 | -78.1 | 155.4 | -145.7 | 0 | 0 | 108.8 | T1799 K1838 | T1799-E1801 PolarHBondContact OG1-OE1 2.83Å; E1801-K1838 HydrophobicContact CB-CB 4.21Å; E1801-K1838 HydrophobicContact CB-CD 4.42Å; E1801-K1838 PolarHBondContact N-O 3.17Å; E1801-K1838 PolarHBondContact O-N 3.37Å; E1801-K1838 WeakPolarHBondContact OE2-CD 3.41Å; E1801-K1838 IonicContact OE2-NZ 3.59Å; E1801-K1838 PolarHBondContact OE2-NZ 3.3Å |
| 1802 | L | 79.5 | Confident | 54 | Low | 65 Ų | 65 | 94.9 Ų | 94.9 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109.2 | 174.2 | -170.5 | 72 | 0 | 0 | 0 | 108.8 | S1804 I1837 L1856 F1860 | L1802-S1804 PolarHBondContact O-N 2.84Å; L1802-I1837 HydrophobicContact CD1-CG1 4.05Å; L1802-L1856 HydrophobicContact CD1-CD2 3.71Å; L1802-L1856 HydrophobicContact CD1-CG 4.08Å; L1802-F1860 HydrophobicContact CB-CD2 4.36Å; L1802-F1860 HydrophobicContact CB-CE2 4.22Å |
| 1803 | I | 71.6 | Confident | 51.3 | Low | 68 Ų | 68 | 95.3 Ų | 95.3 | 35% | 0.349 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 110.1 | 173.6 | -52 | 175.9 | 0 | 0 | 0 | 107.3 | I1836 K1838 | I1803-I1836 HydrophobicContact CB-CB 4.37Å; I1803-I1836 HydrophobicContact CD1-CG2 4.49Å; I1803-I1836 PolarHBondContact N-O 2.97Å; I1803-I1836 PolarHBondContact O-N 2.79Å; I1803-K1838 HydrophobicContact CD1-CB 3.99Å; I1803-K1838 HydrophobicContact CD1-CD 4.16Å; I1803-K1838 HydrophobicContact CG1-CB 4.1Å; I1803-K1838 HydrophobicContact CG1-CD 4.5Å |
| 1804 | S | 55.7 | Low | 48.7 | Very low | 63 Ų | 63 | 99.8 Ų | 99.8 | 44% | 0.441 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102 | 131.3 | 162.4 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | L1802 N1806 D1834 | L1802-S1804 PolarHBondContact O-N 2.84Å; S1804-N1806 PolarHBondContact O-N 3.27Å; S1804-N1806 PolarHBondContact OG-N 3.31Å; S1804-N1806 PolarHBondContact OG-O 3.43Å; S1804-D1834 WeakPolarHBondContact CA-O 3.28Å |
| 1805 | A | 39.8 | Very low | 47.1 | Very low | 75 Ų | 75 | 102.3 Ų | 102.3 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -76.8 | -8.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | D1834 | A1805-D1834 HydrophobicContact CB-CB 3.94Š|
| 1806 | N | 35.6 | Very low | 45.5 | Very low | 95 Ų | 95 | 111 Ų | 111 | 51% | 0.508 | 60% | 0.601 | S | S | . | * | trans | -128.4 | 117.3 | -178.6 | -85.7 | -66.9 | 0 | 0 | 0 | 110.6 | S1804 D1834 | S1804-N1806 PolarHBondContact O-N 3.27Å; S1804-N1806 PolarHBondContact OG-N 3.31Å; S1804-N1806 PolarHBondContact OG-O 3.43Å; N1806-D1834 PolarHBondContact ND2-OD2 3.32Å | ||
| 1807 | S | 29.3 | Very low | 44 | Very low | 113 Ų | 113 | 113 Ų | 113 | 79% | 0.79 | 61% | 0.61 | S | S | * | * | trans | -90 | -7.9 | -174.7 | 56.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1808 | L | 26.6 | Very low | 42.3 | Very low | 159 Ų | 159 | 108.8 Ų | 108.8 | 83% | 0.832 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 7.6 | -166.8 | -73.8 | 168.2 | 0 | 0 | 0 | 116.1 | ||
| 1809 | L | 27 | Very low | 39.9 | Very low | 151 Ų | 151 | 114.7 Ų | 114.7 | 79% | 0.791 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 26.3 | -177.2 | -84.5 | 167 | 0 | 0 | 0 | 115.1 | G1811 | L1809-G1811 VanDerWaalsContact C-N 3.29Š|
| 1810 | Y | 25 | Very low | 37.3 | Very low | 202 Ų | 202 | 118.3 Ų | 118.3 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | trans | -95.6 | 28.7 | 162.6 | -102.6 | -95.7 | 0 | 0 | 0 | 112.8 | ||||
| 1811 | G | 23.7 | Very low | 34.4 | Very low | 54 Ų | 54 | 125.2 Ų | 125.2 | 56% | 0.557 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -93.3 | 151.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1809 C1813 | L1809-G1811 VanDerWaalsContact C-N 3.29Å; G1811-C1813 PolarHBondContact O-N 2.85Å |
| 1812 | Q | 23.8 | Very low | 31.7 | Very low | 201 Ų | 201 | 129.1 Ų | 129.1 | 94% | 0.939 | 71% | 0.709 | S | S | * | * | trans | -54.8 | 91 | -170.4 | -63.1 | 168.1 | -28.9 | 0 | 0 | 116.2 | S1814 | Q1812-S1814 PolarHBondContact O-N 2.85Š| ||
| 1813 | C | 20.7 | Very low | 29.1 | Very low | 133 Ų | 133 | 134 Ų | 134 | 90% | 0.899 | 74% | 0.735 | S | S | * | * | trans | -87.6 | 83.8 | 157.6 | -76.2 | 0 | 0 | 0 | 0 | 110.8 | G1811 | G1811-C1813 PolarHBondContact O-N 2.85Š| ||
| 1814 | S | 20.3 | Very low | 26.8 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | trans | -109 | 140.3 | 169.7 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | Q1812 | Q1812-S1814 PolarHBondContact O-N 2.85Š| ||
| 1815 | T | 23.2 | Very low | 25.3 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 71.1 | 161.4 | 175.4 | 79.5 | 0 | 0 | 0 | 0 | 118 | ||
| 1816 | R | 22.2 | Very low | 24.5 | Very low | 231 Ų | 231 | 152.5 Ų | 152.5 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | 65.7 | 56.5 | 167.3 | -58 | -174.7 | -176.7 | -163.6 | -0.4 | 118.2 | A1818 | R1816-A1818 PolarHBondContact O-N 3.28Š| ||
| 1817 | L | 21.8 | Very low | 24 | Very low | 188 Ų | 188 | 156.6 Ų | 156.6 | 98% | 0.984 | 81% | 0.807 | S | S | * | * | trans | -80.7 | 87.4 | 148.3 | -144 | 85.6 | 0 | 0 | 0 | 108.7 | ||||
| 1818 | A | 23.7 | Very low | 23.7 | Very low | 78 Ų | 78 | 159.2 Ų | 159.2 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | trans | -96.3 | 138.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1816 V1820 | R1816-A1818 PolarHBondContact O-N 3.28Å; A1818-V1820 PolarHBondContact O-N 3.06Å | ||
| 1819 | D | 22.9 | Very low | 23.7 | Very low | 140 Ų | 140 | 162.6 Ų | 162.6 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | trans | 20.6 | 66 | 159.2 | -80.8 | 19.5 | 0 | 0 | 0 | 119.6 | K1821 | D1819-K1821 VanDerWaalsContact C-N 3.33Å; D1819-K1821 PolarHBondContact O-N 3.16Å; D1819-K1821 VanDerWaalsContact O-N 3.11Å | ||
| 1820 | V | 24.8 | Very low | 23.6 | Very low | 145 Ų | 145 | 166.5 Ų | 166.5 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -79.9 | 86.2 | 156.2 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | A1818 | A1818-V1820 PolarHBondContact O-N 3.06Š| ||
| 1821 | K | 24.6 | Very low | 23.9 | Very low | 168 Ų | 168 | 162.7 Ų | 162.7 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -62.8 | 150.1 | 173.3 | -75.2 | 176.1 | -179.1 | 167.8 | 0 | 110.9 | D1819 N1823 | D1819-K1821 VanDerWaalsContact C-N 3.33Å; D1819-K1821 PolarHBondContact O-N 3.16Å; D1819-K1821 VanDerWaalsContact O-N 3.11Å; K1821-N1823 PolarHBondContact O-N 3.07Å | ||
| 1822 | H | 23.5 | Very low | 24.6 | Very low | 166 Ų | 166 | 165.4 Ų | 165.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -49.8 | 118 | -174.8 | -89.4 | -89.8 | 0 | 0 | 0 | 113.8 | ||||
| 1823 | N | 24.8 | Very low | 25.6 | Very low | 166 Ų | 166 | 159.7 Ų | 159.7 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -136.9 | 125.3 | 148.4 | -107.7 | -26.9 | 0 | 0 | 0 | 109.3 | K1821 | K1821-N1823 PolarHBondContact O-N 3.07Š| ||
| 1824 | Q | 23.2 | Very low | 27.1 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -103.5 | 75.9 | -170.9 | -70.6 | -173.4 | -10.2 | 0 | 0 | 111.8 | ||||
| 1825 | Q | 25.1 | Very low | 29.3 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -126.7 | 148.2 | 162.5 | -71 | -165.5 | -7.9 | 0 | 0 | 111.4 | Q1827 | Q1825-Q1827 PolarHBondContact O-N 3.3Š| ||
| 1826 | R | 22.7 | Very low | 31.9 | Very low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -87.5 | 109.9 | -165 | -60.5 | 175 | -175.7 | 168.4 | 1.7 | 110.3 | ||||
| 1827 | Q | 24.2 | Very low | 34.9 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 67% | 0.667 | S | S | * | * | trans | -105.9 | 131.8 | 158.2 | -68.8 | -168 | -5.3 | 0 | 0 | 109.7 | Q1825 Y1829 | Q1825-Q1827 PolarHBondContact O-N 3.3Å; Q1827-Y1829 PolarHBondContact O-N 2.83Å | ||
| 1828 | H | 24.9 | Very low | 37.9 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 78% | 0.782 | 63% | 0.628 | S | S | * | * | trans | -78.4 | 117.1 | -175.9 | -75.8 | -118.7 | 0 | 0 | 0 | 109.6 | R1830 | H1828-R1830 PolarHBondContact O-N 3.39Š| ||
| 1829 | Y | 25.3 | Very low | 40.9 | Very low | 229 Ų | 229 | 127.5 Ų | 127.5 | 90% | 0.898 | 60% | 0.598 | S | S | * | * | trans | -58.6 | 102 | 172.8 | -69.5 | -89 | 0 | 0 | 0 | 110.2 | Q1827 I1831 | Q1827-Y1829 PolarHBondContact O-N 2.83Å; Y1829-I1831 PolarHBondContact O-N 2.87Å | ||
| 1830 | R | 25.8 | Very low | 43.5 | Very low | 233 Ų | 233 | 121.3 Ų | 121.3 | 88% | 0.879 | 57% | 0.566 | S | S | * | * | trans | -61.9 | 123.4 | 171.2 | -72.2 | -177 | 173.9 | -179.6 | -2 | 108.3 | H1828 L1832 | H1828-R1830 PolarHBondContact O-N 3.39Å; R1830-L1832 PolarHBondContact O-N 2.95Å | ||
| 1831 | I | 31.7 | Very low | 46.2 | Very low | 122 Ų | 122 | 115 Ų | 115 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | trans | -76.4 | 108 | -176.2 | -58.2 | 170.5 | 0 | 0 | 0 | 108.2 | Y1829 | Y1829-I1831 PolarHBondContact O-N 2.87Š| ||
| 1832 | L | 36.7 | Very low | 48.5 | Very low | 112 Ų | 112 | 110.9 Ų | 110.9 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | trans | -62.1 | 132.6 | 177.5 | -78.1 | 83.9 | 0 | 0 | 0 | 110.5 | R1830 | R1830-L1832 PolarHBondContact O-N 2.95Š| ||
| 1833 | P | 45.1 | Very low | 50.8 | Low | 81 Ų | 81 | 109.5 Ų | 109.5 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -74.1 | -27.6 | -174.4 | 23.4 | -26.6 | 0 | 0 | 0 | 114.2 | H1835 Q1849 | P1833-H1835 PolarHBondContact O-N 3.06Å; P1833-Q1849 PolarHBondContact O-NE2 2.94Å |
| 1834 | D | 53.5 | Low | 53.2 | Low | 40 Ų | 40 | 107.8 Ų | 107.8 | 21% | 0.214 | 50% | 0.496 | C | S | . | . | trans | -69.3 | 19.8 | -162.2 | -51 | -0.3 | 0 | 0 | 0 | 117 | S1804 A1805 N1806 | S1804-D1834 WeakPolarHBondContact CA-O 3.28Å; A1805-D1834 HydrophobicContact CB-CB 3.94Å; N1806-D1834 PolarHBondContact ND2-OD2 3.32Å | ||
| 1835 | H | 65.9 | Low | 56 | Low | 50 Ų | 50 | 102.1 Ų | 102.1 | 23% | 0.231 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 80.9 | -161 | -79.7 | 82.6 | 0 | 0 | 0 | 111.3 | P1833 L1856 | P1833-H1835 PolarHBondContact O-N 3.06Å; H1835-L1856 HydrophobicContact CB-CD1 4.48Å; H1835-L1856 HydrophobicContact CB-CD2 3.64Å; H1835-L1856 VanDerWaalsContact O-CD1 3.28Å; H1835-L1856 WeakPolarHBondContact O-CD1 3.41Å |
| 1836 | I | 76.8 | Confident | 58.8 | Low | 37 Ų | 37 | 96.3 Ų | 96.3 | 19% | 0.19 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127 | -172.6 | -59.9 | 167.9 | 0 | 0 | 0 | 110.6 | L1756 I1803 H1847 | L1756-I1836 HydrophobicContact CD1-CD1 3.69Å; L1756-I1836 HydrophobicContact CD1-CG1 3.89Å; L1756-I1836 HydrophobicContact CD1-CG2 3.88Å; I1803-I1836 HydrophobicContact CB-CB 4.37Å; I1803-I1836 HydrophobicContact CD1-CG2 4.49Å; I1803-I1836 PolarHBondContact N-O 2.97Å; I1803-I1836 PolarHBondContact O-N 2.79Å; I1836-H1847 HydrophobicContact CG2-CB 4.04Å |
| 1837 | I | 85.7 | Confident | 61.8 | Low | 3 Ų | 3 | 87.6 Ų | 87.6 | 2% | 0.015 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124 | 167.1 | -59.3 | 167.9 | 0 | 0 | 0 | 107.9 | V1800 L1802 I1839 F1848 L1856 W1859 F1860 | V1800-I1837 HydrophobicContact CG2-CG2 3.62Å; L1802-I1837 HydrophobicContact CD1-CG1 4.05Å; I1837-I1839 HydrophobicContact CG2-CG1 3.93Å; I1837-F1848 PolarHBondContact N-O 3.48Å; I1837-F1848 PolarHBondContact O-N 2.79Å; I1837-L1856 HydrophobicContact CD1-CD1 3.98Å; I1837-L1856 HydrophobicContact CD1-CG 4.18Å; I1837-L1856 HydrophobicContact CG1-CD1 3.75Å; I1837-L1856 HydrophobicContact CG1-CG 4.02Å; I1837-W1859 HydrophobicContact CD1-CB 3.66Å; I1837-F1860 HydrophobicContact CD1-CB 4.28Å |
| 1838 | K | 84.6 | Confident | 64.8 | Low | 39 Ų | 39 | 79.3 Ų | 79.3 | 17% | 0.17 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.9 | 170.8 | -179.8 | -170.7 | 172.3 | -156 | 0 | 108.1 | V1800 E1801 I1803 S1840 D1845 Y1846 | V1800-K1838 WeakPolarHBondContact CA-O 3.23Å; E1801-K1838 HydrophobicContact CB-CB 4.21Å; E1801-K1838 HydrophobicContact CB-CD 4.42Å; E1801-K1838 PolarHBondContact N-O 3.17Å; E1801-K1838 PolarHBondContact O-N 3.37Å; E1801-K1838 WeakPolarHBondContact OE2-CD 3.41Å; E1801-K1838 IonicContact OE2-NZ 3.59Å; E1801-K1838 PolarHBondContact OE2-NZ 3.3Å; I1803-K1838 HydrophobicContact CD1-CB 3.99Å; I1803-K1838 HydrophobicContact CD1-CD 4.16Å; I1803-K1838 HydrophobicContact CG1-CB 4.1Å; I1803-K1838 HydrophobicContact CG1-CD 4.5Å; K1838-S1840 WeakPolarHBondContact CE-OG 3.45Å; K1838-D1845 VanDerWaalsContact CE-CG 3.43Å; K1838-D1845 WeakPolarHBondContact CE-OD2 3.25Å; K1838-D1845 HydrophobicContact CG-CB 4.46Å; K1838-D1845 IonicContact NZ-OD2 3.8Å; K1838-D1845 PolarHBondContact NZ-OD2 2.83Å; K1838-Y1846 WeakPolarHBondContact CA-O 3.48Å |
| 1839 | I | 87 | Confident | 67.5 | Low | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.6 | 173.6 | -47.8 | 179 | 0 | 0 | 0 | 107.3 | L1776 L1791 L1793 T1799 V1800 I1837 V1841 Y1846 F1848 I1863 | L1776-I1839 HydrophobicContact CD1-CD1 3.6Å; L1791-I1839 HydrophobicContact CD2-CG2 4.33Å; L1793-I1839 HydrophobicContact CD2-CG2 4.21Å; T1799-I1839 WeakPolarHBondContact O-CA 3.29Å; V1800-I1839 HydrophobicContact CG2-CG1 4.31Å; I1837-I1839 HydrophobicContact CG2-CG1 3.93Å; I1839-V1841 HydrophobicContact CG2-CG2 3.81Å; I1839-Y1846 PolarHBondContact N-O 3.13Å; I1839-Y1846 WeakPolarHBondContact O-CD2 3.2Å; I1839-Y1846 PolarHBondContact O-N 3.2Å; I1839-F1848 HydrophobicContact CD1-CD2 3.84Å; I1839-F1848 HydrophobicContact CD1-CE2 3.84Å; I1839-F1848 HydrophobicContact CG1-CD2 4.11Å; I1839-F1848 HydrophobicContact CG1-CE2 4.28Å; I1839-I1863 HydrophobicContact CD1-CD1 3.82Å |
| 1840 | S | 78.4 | Confident | 70 | Confident | 11 Ų | 11 | 61 Ų | 61 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 108 | -175.9 | -47.9 | 0 | 0 | 0 | 0 | 108.8 | C1798 T1799 K1838 D1845 | C1798-S1840 VanDerWaalsContact CA-O 3.3Å; C1798-S1840 WeakPolarHBondContact CA-O 3.42Å; T1799-S1840 PolarHBondContact N-O 3.33Å; T1799-S1840 PolarHBondContact O-N 3.42Å; T1799-S1840 WeakPolarHBondContact OG1-CB 3.28Å; K1838-S1840 WeakPolarHBondContact CE-OG 3.45Å; S1840-D1845 WeakPolarHBondContact CB-OD1 3.25Å; S1840-D1845 PolarHBondContact OG-OD1 2.79Å |
| 1841 | V | 80.2 | Confident | 72.2 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.5 | -175 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | L1791 R1797 C1798 I1839 N1843 K1844 Y1846 | L1791-V1841 HydrophobicContact CD1-CB 4.13Å; L1791-V1841 HydrophobicContact CD1-CG1 4.37Å; L1791-V1841 HydrophobicContact CD1-CG2 3.86Å; L1791-V1841 HydrophobicContact CD2-CG2 4.14Å; L1791-V1841 HydrophobicContact CG-CG2 4.15Å; R1797-V1841 WeakPolarHBondContact O-CA 3.27Å; C1798-V1841 HydrophobicContact CB-CG2 4.45Å; I1839-V1841 HydrophobicContact CG2-CG2 3.81Å; V1841-N1843 VanDerWaalsContact C-N 3.35Å; V1841-N1843 PolarHBondContact O-N 3.1Å; V1841-K1844 PolarHBondContact N-O 3.13Å; V1841-K1844 WeakPolarHBondContact O-CB 3.31Å; V1841-K1844 PolarHBondContact O-N 3.1Å; V1841-Y1846 HydrophobicContact CB-CE2 4.31Å |
| 1842 | N | 74.2 | Confident | 74 | Confident | 83 Ų | 83 | 51 Ų | 51 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 54.1 | -176.2 | -60.2 | -48.5 | 0 | 0 | 0 | 112 | R1797 K1844 | R1797-N1842 PolarHBondContact O-N 2.94Å; N1842-K1844 PolarHBondContact O-N 3.47Å; N1842-K1844 VanDerWaalsContact O-N 3.15Å |
| 1843 | N | 71.4 | Confident | 75.7 | Confident | 136 Ų | 136 | 48.6 Ų | 48.6 | 73% | 0.727 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 17.3 | -179.1 | -51.3 | 25.4 | 0 | 0 | 0 | 114.1 | V1841 | V1841-N1843 VanDerWaalsContact C-N 3.35Å; V1841-N1843 PolarHBondContact O-N 3.1Å |
| 1844 | K | 74.4 | Confident | 76.8 | Confident | 131 Ų | 131 | 51.9 Ų | 51.9 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 108.8 | 173.1 | -65.5 | -172.5 | 178.9 | -175.4 | 0 | 110.5 | V1841 N1842 Y1846 | V1841-K1844 PolarHBondContact N-O 3.13Å; V1841-K1844 WeakPolarHBondContact O-CB 3.31Å; V1841-K1844 PolarHBondContact O-N 3.1Å; N1842-K1844 PolarHBondContact O-N 3.47Å; N1842-K1844 VanDerWaalsContact O-N 3.15Å; K1844-Y1846 HydrophobicContact CB-CE2 3.98Å; K1844-Y1846 WeakPolarHBondContact O-CD2 3.35Å; K1844-Y1846 WeakPolarHBondContact O-CE2 3.44Å |
| 1845 | D | 82.4 | Confident | 77.6 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.7 | -179 | -58.6 | 4.8 | 0 | 0 | 0 | 111.4 | K1758 K1838 S1840 | K1758-D1845 WeakPolarHBondContact CE-O 3.38Å; K1758-D1845 PolarHBondContact NZ-O 3.46Å; K1838-D1845 VanDerWaalsContact CE-CG 3.43Å; K1838-D1845 WeakPolarHBondContact CE-OD2 3.25Å; K1838-D1845 HydrophobicContact CG-CB 4.46Å; K1838-D1845 IonicContact NZ-OD2 3.8Å; K1838-D1845 PolarHBondContact NZ-OD2 2.83Å; S1840-D1845 WeakPolarHBondContact CB-OD1 3.25Å; S1840-D1845 PolarHBondContact OG-OD1 2.79Å |
| 1846 | Y | 84.3 | Confident | 78.2 | Confident | 67 Ų | 67 | 49 Ų | 49 | 26% | 0.263 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.8 | 176 | -58.9 | -88.9 | 0 | 0 | 0 | 109.4 | L1791 K1838 I1839 V1841 K1844 F1848 | L1791-Y1846 HydrophobicContact CD1-CD2 4.17Å; L1791-Y1846 HydrophobicContact CD1-CE2 3.73Å; L1791-Y1846 HydrophobicContact CD2-CD2 3.94Å; L1791-Y1846 HydrophobicContact CD2-CE2 4.36Å; L1791-Y1846 HydrophobicContact CD2-CG 4.25Å; K1838-Y1846 WeakPolarHBondContact CA-O 3.48Å; I1839-Y1846 PolarHBondContact N-O 3.13Å; I1839-Y1846 WeakPolarHBondContact O-CD2 3.2Å; I1839-Y1846 PolarHBondContact O-N 3.2Å; V1841-Y1846 HydrophobicContact CB-CE2 4.31Å; K1844-Y1846 HydrophobicContact CB-CE2 3.98Å; K1844-Y1846 WeakPolarHBondContact O-CD2 3.35Å; K1844-Y1846 WeakPolarHBondContact O-CE2 3.44Å; Y1846-F1848 VanDerWaalsContact CB-CE2 3.44Å; Y1846-F1848 HydrophobicContact CG-CE2 4.48Å |
| 1847 | H | 85 | Confident | 78.1 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122 | -174.9 | -66.6 | 73.5 | 0 | 0 | 0 | 109.9 | L1756 I1836 | L1756-H1847 HydrophobicContact CB-CB 4.03Å; L1756-H1847 HydrophobicContact CD1-CB 4Å; L1756-H1847 PolarHBondContact N-O 2.82Å; I1836-H1847 HydrophobicContact CG2-CB 4.04Å |
| 1848 | F | 87.8 | Confident | 77.5 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.1 | -176.1 | -62.2 | -78.3 | 0 | 0 | 0 | 111.5 | L1753 F1754 R1755 F1778 L1791 I1837 I1839 Y1846 | L1753-F1848 HydrophobicContact CB-CD1 4.38Å; F1754-F1848 CarbonylContact O-C 3.51Å; F1754-F1848 WeakPolarHBondContact O-CA 3.34Å; R1755-F1848 HydrophobicContact CB-CD1 4.25Å; R1755-F1848 HydrophobicContact CB-CE1 4.14Å; R1755-F1848 HydrophobicContact CG-CE1 4.26Å; F1778-F1848 HydrophobicContact CE1-CD1 4.4Å; F1778-F1848 AromaticContact CE1-CE1 3.55Å; F1778-F1848 HydrophobicContact CE1-CE1 3.55Å; F1778-F1848 AromaticContact CE1-CZ 3.91Å; F1778-F1848 HydrophobicContact CE1-CZ 3.91Å; F1778-F1848 AromaticContact CZ-CE1 3.71Å; F1778-F1848 HydrophobicContact CZ-CE1 3.71Å; F1778-F1848 AromaticContact CZ-CZ 3.54Å; F1778-F1848 HydrophobicContact CZ-CZ 3.54Å; L1791-F1848 HydrophobicContact CD2-CE2 4.48Å; I1837-F1848 PolarHBondContact N-O 3.48Å; I1837-F1848 PolarHBondContact O-N 2.79Å; I1839-F1848 HydrophobicContact CD1-CD2 3.84Å; I1839-F1848 HydrophobicContact CD1-CE2 3.84Å; I1839-F1848 HydrophobicContact CG1-CD2 4.11Å; I1839-F1848 HydrophobicContact CG1-CE2 4.28Å; Y1846-F1848 VanDerWaalsContact CB-CE2 3.44Å; Y1846-F1848 HydrophobicContact CG-CE2 4.48Å |
| 1849 | Q | 82.4 | Confident | 77.5 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.4 | 170.4 | -179.3 | 170.7 | 32.9 | 0 | 0 | 109.7 | F1754 P1833 | F1754-Q1849 HydrophobicContact CB-CB 4.29Å; F1754-Q1849 PolarHBondContact N-O 3.07Å; F1754-Q1849 PolarHBondContact O-N 3.37Å; P1833-Q1849 PolarHBondContact O-NE2 2.94Å |
| 1850 | A | 77.9 | Confident | 77.2 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 158.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1753 N1852 L1855 L1856 | L1753-A1850 HydrophobicContact CD2-CB 4.03Å; A1850-N1852 PolarHBondContact O-N 3.22Å; A1850-L1855 HydrophobicContact CB-CB 4.09Å; A1850-L1856 HydrophobicContact CB-CB 3.94Å; A1850-L1856 HydrophobicContact CB-CD1 3.75Å; A1850-L1856 HydrophobicContact CB-CG 4.49Å |
| 1851 | E | 70.2 | Confident | 77.1 | Confident | 67 Ų | 67 | 62 Ų | 62 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -62.9 | -20.8 | 179.7 | -73 | 178.3 | 147.3 | 0 | 0 | 114.1 | F1754 K1766 L1855 | F1754-E1851 HydrophobicContact CE2-CG 3.65Å; F1754-E1851 HydrophobicContact CZ-CG 4.24Å; K1766-E1851 WeakPolarHBondContact CE-OE1 3.44Å; K1766-E1851 IonicContact NZ-OE1 3.34Å; K1766-E1851 PolarHBondContact NZ-OE1 2.84Å; E1851-L1855 HydrophobicContact CB-CD1 4.12Å |
| 1852 | N | 71.3 | Confident | 76.8 | Confident | 78 Ų | 78 | 62.3 Ų | 62.3 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -160.5 | 166.8 | 172.6 | 58.1 | 63.3 | 0 | 0 | 0 | 111.9 | A1850 Y1854 L1855 L1856 | A1850-N1852 PolarHBondContact O-N 3.22Å; N1852-Y1854 VanDerWaalsContact C-N 3.29Å; N1852-Y1854 PolarHBondContact O-N 2.65Å; N1852-Y1854 WeakPolarHBondContact OD1-CB 3.2Å; N1852-Y1854 PolarHBondContact OD1-N 3.02Å; N1852-L1855 PolarHBondContact O-N 2.88Å; N1852-L1855 PolarHBondContact OD1-N 3.38Å; N1852-L1856 WeakPolarHBondContact O-CB 3.24Å; N1852-L1856 PolarHBondContact O-N 3.48Å |
| 1853 | V | 70.4 | Confident | 77.1 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -31.5 | -177.6 | -172.9 | 0 | 0 | 0 | 0 | 113.1 | L1856 K1857 | V1853-L1856 WeakPolarHBondContact O-CB 3.47Å; V1853-L1856 PolarHBondContact O-N 3.16Å; V1853-K1857 PolarHBondContact O-N 2.95Å |
| 1854 | Y | 68.1 | Low | 77.3 | Confident | 151 Ų | 151 | 53.2 Ų | 53.2 | 59% | 0.592 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.1 | -48.9 | 175.6 | 167.8 | -93.3 | 0 | 0 | 0 | 111.3 | N1852 L1856 K1857 R1858 | N1852-Y1854 VanDerWaalsContact C-N 3.29Å; N1852-Y1854 PolarHBondContact O-N 2.65Å; N1852-Y1854 WeakPolarHBondContact OD1-CB 3.2Å; N1852-Y1854 PolarHBondContact OD1-N 3.02Å; Y1854-L1856 VanDerWaalsContact C-N 3.29Å; Y1854-L1856 PolarHBondContact O-N 3.41Å; Y1854-K1857 PolarHBondContact O-N 2.85Å; Y1854-R1858 WeakPolarHBondContact O-CB 3.32Å; Y1854-R1858 PolarHBondContact O-N 2.8Å; Y1854-R1858 PolarHBondContact OH-NH1 2.83Å |
| 1855 | L | 71.8 | Confident | 77 | Confident | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 174.9 | -72.7 | 173.5 | 0 | 0 | 0 | 111.2 | A1850 E1851 N1852 R1858 W1859 | A1850-L1855 HydrophobicContact CB-CB 4.09Å; E1851-L1855 HydrophobicContact CB-CD1 4.12Å; N1852-L1855 PolarHBondContact O-N 2.88Å; N1852-L1855 PolarHBondContact OD1-N 3.38Å; L1855-R1858 PolarHBondContact O-N 3.41Å; L1855-W1859 WeakPolarHBondContact O-CB 3.43Å; L1855-W1859 PolarHBondContact O-N 3.42Å |
| 1856 | L | 78.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58 | -54.8 | 175.5 | -163.1 | 86.2 | 0 | 0 | 0 | 111.7 | L1802 H1835 I1837 A1850 N1852 V1853 Y1854 R1858 W1859 F1860 | L1802-L1856 HydrophobicContact CD1-CD2 3.71Å; L1802-L1856 HydrophobicContact CD1-CG 4.08Å; H1835-L1856 HydrophobicContact CB-CD1 4.48Å; H1835-L1856 HydrophobicContact CB-CD2 3.64Å; H1835-L1856 VanDerWaalsContact O-CD1 3.28Å; H1835-L1856 WeakPolarHBondContact O-CD1 3.41Å; I1837-L1856 HydrophobicContact CD1-CD1 3.98Å; I1837-L1856 HydrophobicContact CD1-CG 4.18Å; I1837-L1856 HydrophobicContact CG1-CD1 3.75Å; I1837-L1856 HydrophobicContact CG1-CG 4.02Å; A1850-L1856 HydrophobicContact CB-CB 3.94Å; A1850-L1856 HydrophobicContact CB-CD1 3.75Å; A1850-L1856 HydrophobicContact CB-CG 4.49Å; N1852-L1856 WeakPolarHBondContact O-CB 3.24Å; N1852-L1856 PolarHBondContact O-N 3.48Å; V1853-L1856 WeakPolarHBondContact O-CB 3.47Å; V1853-L1856 PolarHBondContact O-N 3.16Å; Y1854-L1856 VanDerWaalsContact C-N 3.29Å; Y1854-L1856 PolarHBondContact O-N 3.41Å; L1856-R1858 PolarHBondContact O-N 3.25Å; L1856-W1859 PolarHBondContact O-N 3.43Å; L1856-F1860 WeakPolarHBondContact O-CB 3.13Å; L1856-F1860 PolarHBondContact O-N 3.08Å |
| 1857 | K | 75 | Confident | 75.3 | Confident | 109 Ų | 109 | 47.4 Ų | 47.4 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.2 | -35.9 | 176.8 | -74.4 | -175.8 | 175.5 | -176.8 | 0 | 111.7 | V1853 Y1854 N1861 | V1853-K1857 PolarHBondContact O-N 2.95Å; Y1854-K1857 PolarHBondContact O-N 2.85Å; K1857-N1861 VanDerWaalsContact O-CB 3.3Å; K1857-N1861 WeakPolarHBondContact O-CB 3.23Å; K1857-N1861 PolarHBondContact O-N 3.06Å; K1857-N1861 PolarHBondContact O-OD1 2.9Å |
| 1858 | R | 73.7 | Confident | 74 | Confident | 112 Ų | 112 | 48 Ų | 48 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.5 | -46.4 | 177.7 | -160.1 | -172.3 | 166.4 | 153.8 | -5.6 | 112.6 | M1749 Y1854 L1855 L1856 N1861 S1862 | M1749-R1858 HydrophobicContact CE-CB 4.33Å; M1749-R1858 HydrophobicContact CE-CG 4.12Å; M1749-R1858 HydrophobicContact SD-CB 4.36Å; M1749-R1858 HydrophobicContact SD-CG 3.64Å; Y1854-R1858 WeakPolarHBondContact O-CB 3.32Å; Y1854-R1858 PolarHBondContact O-N 2.8Å; Y1854-R1858 PolarHBondContact OH-NH1 2.83Å; L1855-R1858 PolarHBondContact O-N 3.41Å; L1856-R1858 PolarHBondContact O-N 3.25Å; R1858-N1861 PolarHBondContact O-N 2.84Å; R1858-S1862 PolarHBondContact O-N 3.11Å; R1858-S1862 PolarHBondContact O-OG 2.82Å |
| 1859 | W | 83 | Confident | 72 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 173.7 | -83.4 | 113.6 | 0 | 0 | 0 | 111.3 | M1749 L1753 T1769 L1771 L1776 I1837 L1855 L1856 S1862 I1863 | M1749-W1859 HydrophobicContact CB-CH2 4.5Å; M1749-W1859 HydrophobicContact CB-CZ3 4.43Å; M1749-W1859 HydrophobicContact CE-CB 4.42Å; M1749-W1859 HydrophobicContact CE-CD2 3.52Å; M1749-W1859 HydrophobicContact CE-CE3 4Å; M1749-W1859 HydrophobicContact CE-CG 3.7Å; M1749-W1859 HydrophobicContact CE-CZ2 4.25Å; L1753-W1859 HydrophobicContact CD1-CD2 3.92Å; L1753-W1859 HydrophobicContact CD1-CE3 4.12Å; L1753-W1859 HydrophobicContact CD1-CG 4.48Å; L1753-W1859 HydrophobicContact CD1-CH2 4.2Å; L1753-W1859 HydrophobicContact CD1-CZ2 3.99Å; L1753-W1859 HydrophobicContact CD1-CZ3 4.25Å; L1753-W1859 HydrophobicContact CD2-CD2 4.27Å; L1753-W1859 HydrophobicContact CD2-CG 4.09Å; L1753-W1859 HydrophobicContact CG-CD2 4.26Å; L1753-W1859 HydrophobicContact CG-CZ2 4.02Å; T1769-W1859 HydrophobicContact CG2-CH2 3.8Å; T1769-W1859 HydrophobicContact CG2-CZ3 4.25Å; L1771-W1859 HydrophobicContact CB-CZ3 3.96Å; L1776-W1859 HydrophobicContact CD2-CE3 4.2Å; L1776-W1859 HydrophobicContact CD2-CH2 4.38Å; L1776-W1859 HydrophobicContact CD2-CZ3 3.52Å; I1837-W1859 HydrophobicContact CD1-CB 3.66Å; L1855-W1859 WeakPolarHBondContact O-CB 3.43Å; L1855-W1859 PolarHBondContact O-N 3.42Å; L1856-W1859 PolarHBondContact O-N 3.43Å; W1859-S1862 PolarHBondContact O-N 3.43Å; W1859-I1863 HydrophobicContact CE3-CD1 4.32Å; W1859-I1863 WeakPolarHBondContact O-CB 3.33Å; W1859-I1863 WeakPolarHBondContact O-CD1 3.42Å; W1859-I1863 VanDerWaalsContact O-CG1 3.25Å; W1859-I1863 WeakPolarHBondContact O-CG1 3.23Å; W1859-I1863 PolarHBondContact O-N 3.49Å |
| 1860 | F | 82.1 | Confident | 70.2 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -51.9 | 176.3 | -178.1 | -94.8 | 0 | 0 | 0 | 111.1 | V1800 L1802 I1837 L1856 S1862 I1863 S1864 | V1800-F1860 HydrophobicContact CG1-CE2 4.18Å; V1800-F1860 HydrophobicContact CG2-CD2 3.85Å; V1800-F1860 HydrophobicContact CG2-CE2 4.01Å; L1802-F1860 HydrophobicContact CB-CD2 4.36Å; L1802-F1860 HydrophobicContact CB-CE2 4.22Å; I1837-F1860 HydrophobicContact CD1-CB 4.28Å; L1856-F1860 WeakPolarHBondContact O-CB 3.13Å; L1856-F1860 PolarHBondContact O-N 3.08Å; F1860-S1862 PolarHBondContact O-N 3.36Å; F1860-I1863 PolarHBondContact O-N 2.92Å; F1860-S1864 VanDerWaalsContact O-CB 3.28Å; F1860-S1864 WeakPolarHBondContact O-CB 3.36Å; F1860-S1864 PolarHBondContact O-N 2.95Å; F1860-S1864 PolarHBondContact O-OG 3.36Å |
| 1861 | N | 75.8 | Confident | 68.2 | Low | 89 Ų | 89 | 56.5 Ų | 56.5 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | -179.5 | -72.1 | 4.2 | 0 | 0 | 0 | 112.8 | K1857 R1858 S1864 N1865 | K1857-N1861 VanDerWaalsContact O-CB 3.3Å; K1857-N1861 WeakPolarHBondContact O-CB 3.23Å; K1857-N1861 PolarHBondContact O-N 3.06Å; K1857-N1861 PolarHBondContact O-OD1 2.9Å; R1858-N1861 PolarHBondContact O-N 2.84Å; N1861-S1864 PolarHBondContact O-N 2.77Å; N1861-N1865 VanDerWaalsContact O-CB 3.3Å; N1861-N1865 WeakPolarHBondContact O-CB 3.32Å; N1861-N1865 PolarHBondContact O-N 2.72Å; N1861-N1865 PolarHBondContact O-OD1 3.01Å |
| 1862 | S | 73.7 | Confident | 66.3 | Low | 19 Ų | 19 | 58.9 Ų | 58.9 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68 | -34.8 | 179.1 | -70.8 | 0 | 0 | 0 | 0 | 113 | M1749 R1858 W1859 F1860 I1866 | M1749-S1862 PolarHBondContact SD-OG 3.38Å; R1858-S1862 PolarHBondContact O-N 3.11Å; R1858-S1862 PolarHBondContact O-OG 2.82Å; W1859-S1862 PolarHBondContact O-N 3.43Å; F1860-S1862 PolarHBondContact O-N 3.36Å; S1862-I1866 VanDerWaalsContact O-CG1 3.32Å; S1862-I1866 WeakPolarHBondContact O-CG1 3.49Å; S1862-I1866 PolarHBondContact O-N 3.46Å |
| 1863 | I | 80 | Confident | 64.5 | Low | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.7 | -45.8 | 174.2 | -67.5 | 166.4 | 0 | 0 | 0 | 110.2 | L1771 L1776 L1793 V1800 I1839 W1859 F1860 N1865 I1866 L1867 | L1771-I1863 HydrophobicContact CD2-CG1 4.42Å; L1776-I1863 HydrophobicContact CD1-CD1 4.2Å; L1776-I1863 HydrophobicContact CD2-CD1 4.42Å; L1793-I1863 HydrophobicContact CD1-CG1 4.35Å; L1793-I1863 HydrophobicContact CD1-CG2 4.24Å; L1793-I1863 HydrophobicContact CD2-CG2 4.43Å; V1800-I1863 HydrophobicContact CB-CG2 4.04Å; V1800-I1863 HydrophobicContact CG1-CG2 4.15Å; V1800-I1863 HydrophobicContact CG2-CG2 4.06Å; I1839-I1863 HydrophobicContact CD1-CD1 3.82Å; W1859-I1863 HydrophobicContact CE3-CD1 4.32Å; W1859-I1863 WeakPolarHBondContact O-CB 3.33Å; W1859-I1863 WeakPolarHBondContact O-CD1 3.42Å; W1859-I1863 VanDerWaalsContact O-CG1 3.25Å; W1859-I1863 WeakPolarHBondContact O-CG1 3.23Å; W1859-I1863 PolarHBondContact O-N 3.49Å; F1860-I1863 PolarHBondContact O-N 2.92Å; I1863-N1865 PolarHBondContact O-N 3.35Å; I1863-I1866 PolarHBondContact O-N 3.24Å; I1863-L1867 HydrophobicContact CG2-CD1 4.02Å; I1863-L1867 WeakPolarHBondContact O-CG 3.49Å; I1863-L1867 PolarHBondContact O-N 3.05Å |
| 1864 | S | 76.9 | Confident | 62.5 | Low | 26 Ų | 26 | 61.5 Ų | 61.5 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.1 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | V1800 F1860 N1861 I1866 L1867 T1868 | V1800-S1864 VanDerWaalsContact CG1-OG 3.26Å; V1800-S1864 WeakPolarHBondContact CG1-OG 3.44Å; F1860-S1864 VanDerWaalsContact O-CB 3.28Å; F1860-S1864 WeakPolarHBondContact O-CB 3.36Å; F1860-S1864 PolarHBondContact O-N 2.95Å; F1860-S1864 PolarHBondContact O-OG 3.36Å; N1861-S1864 PolarHBondContact O-N 2.77Å; S1864-I1866 VanDerWaalsContact C-N 3.34Å; S1864-I1866 PolarHBondContact O-N 2.8Å; S1864-L1867 PolarHBondContact O-N 3.06Å; S1864-T1868 WeakPolarHBondContact O-CG2 3.21Å; S1864-T1868 PolarHBondContact O-N 3.32Å; S1864-T1868 PolarHBondContact O-OG1 3.28Å |
| 1865 | N | 66.4 | Low | 60.6 | Low | 85 Ų | 85 | 59.3 Ų | 59.3 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 176.8 | -74.7 | 1.4 | 0 | 0 | 0 | 112.3 | N1861 I1863 L1867 T1868 C1869 | N1861-N1865 VanDerWaalsContact O-CB 3.3Å; N1861-N1865 WeakPolarHBondContact O-CB 3.32Å; N1861-N1865 PolarHBondContact O-N 2.72Å; N1861-N1865 PolarHBondContact O-OD1 3.01Å; I1863-N1865 PolarHBondContact O-N 3.35Å; N1865-L1867 VanDerWaalsContact C-N 3.33Å; N1865-T1868 WeakPolarHBondContact CA-OG1 3.3Å; N1865-T1868 PolarHBondContact O-OG1 3.15Å; N1865-C1869 VanDerWaalsContact O-CB 3.24Å; N1865-C1869 WeakPolarHBondContact O-CB 3.47Å; N1865-C1869 PolarHBondContact O-N 3.44Å; N1865-C1869 PolarHBondContact O-SG 3.18Å |
| 1866 | I | 66 | Low | 58.6 | Low | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 175.5 | -76.3 | 171.4 | 0 | 0 | 0 | 110.9 | N1747 L1771 V1774 L1793 S1862 I1863 S1864 S1870 | N1747-I1866 HydrophobicContact CB-CD1 4.42Å; N1747-I1866 HydrophobicContact CB-CG1 4.45Å; L1771-I1866 HydrophobicContact CD1-CD1 3.78Å; L1771-I1866 HydrophobicContact CD2-CD1 3.79Å; L1771-I1866 HydrophobicContact CG-CD1 3.86Å; V1774-I1866 HydrophobicContact CB-CG2 4.18Å; V1774-I1866 HydrophobicContact CG1-CG2 3.57Å; V1774-I1866 HydrophobicContact CG2-CG2 4.05Å; L1793-I1866 HydrophobicContact CD1-CG2 4.38Å; S1862-I1866 VanDerWaalsContact O-CG1 3.32Å; S1862-I1866 WeakPolarHBondContact O-CG1 3.49Å; S1862-I1866 PolarHBondContact O-N 3.46Å; I1863-I1866 PolarHBondContact O-N 3.24Å; S1864-I1866 VanDerWaalsContact C-N 3.34Å; S1864-I1866 PolarHBondContact O-N 2.8Å; I1866-S1870 WeakPolarHBondContact O-CB 3.49Å; I1866-S1870 PolarHBondContact O-N 2.86Å; I1866-S1870 VanDerWaalsContact O-N 3.1Å |
| 1867 | L | 66.8 | Low | 56.2 | Low | 25 Ų | 25 | 66.4 Ų | 66.4 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 177.2 | -67.8 | 170.3 | 0 | 0 | 0 | 112.1 | L1793 C1798 V1800 I1863 S1864 N1865 S1870 S1871 | L1793-L1867 HydrophobicContact CB-CD2 4.36Å; L1793-L1867 VanDerWaalsContact O-CD2 3.32Å; L1793-L1867 WeakPolarHBondContact O-CD2 3.21Å; C1798-L1867 HydrophobicContact CB-CD2 3.87Å; V1800-L1867 HydrophobicContact CB-CD1 4.2Å; V1800-L1867 HydrophobicContact CG1-CD1 3.79Å; I1863-L1867 HydrophobicContact CG2-CD1 4.02Å; I1863-L1867 WeakPolarHBondContact O-CG 3.49Å; I1863-L1867 PolarHBondContact O-N 3.05Å; S1864-L1867 PolarHBondContact O-N 3.06Å; N1865-L1867 VanDerWaalsContact C-N 3.33Å; L1867-S1870 PolarHBondContact O-N 3.05Å; L1867-S1870 PolarHBondContact O-OG 3.23Å; L1867-S1871 PolarHBondContact O-N 2.93Å |
| 1868 | T | 57.7 | Low | 53.9 | Low | 69 Ų | 69 | 65.1 Ų | 65.1 | 42% | 0.423 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 176.8 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | S1864 N1865 S1870 S1871 I1872 | S1864-T1868 WeakPolarHBondContact O-CG2 3.21Å; S1864-T1868 PolarHBondContact O-N 3.32Å; S1864-T1868 PolarHBondContact O-OG1 3.28Å; N1865-T1868 WeakPolarHBondContact CA-OG1 3.3Å; N1865-T1868 PolarHBondContact O-OG1 3.15Å; T1868-S1870 PolarHBondContact O-N 2.8Å; T1868-S1871 PolarHBondContact O-N 2.94Å; T1868-S1871 PolarHBondContact O-OG 3.2Å; T1868-I1872 WeakPolarHBondContact O-CD1 3.24Å; T1868-I1872 VanDerWaalsContact O-CG1 3.27Å; T1868-I1872 WeakPolarHBondContact O-CG1 3.48Å; T1868-I1872 PolarHBondContact O-N 3.06Å |
| 1869 | C | 44.9 | Very low | 51.7 | Low | 85 Ų | 85 | 63.8 Ų | 63.8 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.3 | -31.2 | 171.8 | -73.8 | 0 | 0 | 0 | 0 | 112.3 | N1865 | N1865-C1869 VanDerWaalsContact O-CB 3.24Å; N1865-C1869 WeakPolarHBondContact O-CB 3.47Å; N1865-C1869 PolarHBondContact O-N 3.44Å; N1865-C1869 PolarHBondContact O-SG 3.18Å |
| 1870 | S | 44.8 | Very low | 49 | Very low | 63 Ų | 63 | 70.3 Ų | 70.3 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.1 | -23 | 175.5 | 82.2 | 0 | 0 | 0 | 0 | 114.5 | I1866 L1867 T1868 | I1866-S1870 WeakPolarHBondContact O-CB 3.49Å; I1866-S1870 PolarHBondContact O-N 2.86Å; I1866-S1870 VanDerWaalsContact O-N 3.1Å; L1867-S1870 PolarHBondContact O-N 3.05Å; L1867-S1870 PolarHBondContact O-OG 3.23Å; T1868-S1870 PolarHBondContact O-N 2.8Å |
| 1871 | S | 35.6 | Very low | 46.4 | Very low | 51 Ų | 51 | 71.4 Ų | 71.4 | 36% | 0.357 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -93.7 | -32.5 | 179 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | L1867 T1868 G1873 R1874 | L1867-S1871 PolarHBondContact O-N 2.93Å; T1868-S1871 PolarHBondContact O-N 2.94Å; T1868-S1871 PolarHBondContact O-OG 3.2Å; S1871-G1873 PolarHBondContact O-N 3.19Å; S1871-G1873 VanDerWaalsContact O-N 3.16Å; S1871-R1874 PolarHBondContact O-N 3.29Å |
| 1872 | I | 30 | Very low | 44 | Very low | 118 Ų | 118 | 71 Ų | 71 | 61% | 0.605 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -55.9 | -34 | 179.3 | -72.7 | 163.4 | 0 | 0 | 0 | 112 | T1868 R1874 | T1868-I1872 WeakPolarHBondContact O-CD1 3.24Å; T1868-I1872 VanDerWaalsContact O-CG1 3.27Å; T1868-I1872 WeakPolarHBondContact O-CG1 3.48Å; T1868-I1872 PolarHBondContact O-N 3.06Å; I1872-R1874 PolarHBondContact O-N 3.2Å; I1872-R1874 VanDerWaalsContact O-N 3.09Å |
| 1873 | G | 33.2 | Very low | 41.6 | Very low | 58 Ų | 58 | 77.1 Ų | 77.1 | 60% | 0.598 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -70.5 | 5.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1871 | S1871-G1873 PolarHBondContact O-N 3.19Å; S1871-G1873 VanDerWaalsContact O-N 3.16Å |
| 1874 | R | 28.6 | Very low | 39.1 | Very low | 135 Ų | 135 | 83.6 Ų | 83.6 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -133.2 | -26.8 | -179.8 | -74.4 | -179.2 | 173.3 | 157.2 | -3.5 | 115.7 | N1796 S1871 I1872 S1876 I1877 Q1878 | N1796-R1874 PolarHBondContact OD1-NH1 3.38Å; S1871-R1874 PolarHBondContact O-N 3.29Å; I1872-R1874 PolarHBondContact O-N 3.2Å; I1872-R1874 VanDerWaalsContact O-N 3.09Å; R1874-S1876 VanDerWaalsContact C-N 3.31Å; R1874-S1876 PolarHBondContact O-N 2.73Å; R1874-I1877 PolarHBondContact O-N 3.1Å; R1874-Q1878 PolarHBondContact O-N 2.86Å; R1874-Q1878 VanDerWaalsContact O-N 3.09Å |
| 1875 | N | 27.7 | Very low | 36.6 | Very low | 104 Ų | 104 | 89.5 Ų | 89.5 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -29.3 | -172 | -74 | 3.9 | 0 | 0 | 0 | 113.6 | I1877 Q1878 S1879 | N1875-I1877 PolarHBondContact O-N 3.29Å; N1875-Q1878 PolarHBondContact O-N 2.74Å; N1875-Q1878 VanDerWaalsContact O-N 3.16Å; N1875-S1879 PolarHBondContact O-N 3.45Å |
| 1876 | S | 30.9 | Very low | 34.4 | Very low | 83 Ų | 83 | 92.4 Ų | 92.4 | 58% | 0.58 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -17 | 170.9 | 51 | 0 | 0 | 0 | 0 | 114.5 | R1874 I1880 | R1874-S1876 VanDerWaalsContact C-N 3.31Å; R1874-S1876 PolarHBondContact O-N 2.73Å; S1876-I1880 WeakPolarHBondContact O-CD1 3.36Å |
| 1877 | I | 26.8 | Very low | 32.3 | Very low | 95 Ų | 95 | 99.4 Ų | 99.4 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -101.6 | -20.7 | 175.8 | -58.4 | 173.2 | 0 | 0 | 0 | 110.5 | R1874 N1875 | R1874-I1877 PolarHBondContact O-N 3.1Å; N1875-I1877 PolarHBondContact O-N 3.29Å |
| 1878 | Q | 26.4 | Very low | 30.2 | Very low | 82 Ų | 82 | 105.6 Ų | 105.6 | 38% | 0.383 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -81.5 | -36 | -176.2 | -161 | 70.1 | 15.7 | 0 | 0 | 112.2 | R1874 N1875 I1880 M1881 T1882 | R1874-Q1878 PolarHBondContact O-N 2.86Å; R1874-Q1878 VanDerWaalsContact O-N 3.09Å; N1875-Q1878 PolarHBondContact O-N 2.74Å; N1875-Q1878 VanDerWaalsContact O-N 3.16Å; Q1878-I1880 PolarHBondContact O-N 2.95Å; Q1878-M1881 CarbonylContact O-C 3.54Å; Q1878-M1881 PolarHBondContact O-N 2.87Å; Q1878-T1882 HydrophobicContact CG-CG2 4.34Å; Q1878-T1882 PolarHBondContact O-OG1 3Å |
| 1879 | S | 27.9 | Very low | 28.5 | Very low | 84 Ų | 84 | 110.2 Ų | 110.2 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -11.7 | 172.7 | 64.8 | 0 | 0 | 0 | 0 | 114 | N1875 M1881 | N1875-S1879 PolarHBondContact O-N 3.45Å; S1879-M1881 VanDerWaalsContact C-N 3.3Å |
| 1880 | I | 27.2 | Very low | 27.4 | Very low | 136 Ų | 136 | 113 Ų | 113 | 70% | 0.697 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -0.1 | 172.7 | -59.7 | 174.3 | 0 | 0 | 0 | 110.6 | S1876 Q1878 | S1876-I1880 WeakPolarHBondContact O-CD1 3.36Å; Q1878-I1880 PolarHBondContact O-N 2.95Å |
| 1881 | M | 26.1 | Very low | 26.4 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 38% | 0.384 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -139.2 | 21.4 | -170.8 | -70 | -160.7 | 162.9 | 0 | 0 | 115.3 | Q1878 S1879 | Q1878-M1881 CarbonylContact O-C 3.54Å; Q1878-M1881 PolarHBondContact O-N 2.87Å; S1879-M1881 VanDerWaalsContact C-N 3.3Å |
| 1882 | T | 26.1 | Very low | 25.8 | Very low | 80 Ų | 80 | 118.4 Ų | 118.4 | 49% | 0.491 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -138 | 10.1 | 179.1 | 58.9 | 0 | 0 | 0 | 0 | 116.2 | Q1878 | Q1878-T1882 HydrophobicContact CG-CG2 4.34Å; Q1878-T1882 PolarHBondContact O-OG1 3Å |
| 1883 | D | 23.3 | Very low | 25.5 | Very low | 147 Ų | 147 | 120.3 Ų | 120.3 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | trans | -101.3 | 73.6 | 166.1 | -74.4 | -38.4 | 0 | 0 | 0 | 109.3 | N1885 | D1883-N1885 PolarHBondContact O-N 3.44Š| ||
| 1884 | D | 27.2 | Very low | 24.9 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | trans | -73.6 | 18.4 | -177.3 | -77.3 | -48.6 | 0 | 0 | 0 | 113.9 | ||||
| 1885 | N | 24 | Very low | 24.6 | Very low | 150 Ų | 150 | 122 Ų | 122 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | trans | -138.8 | 83.1 | -177.7 | -82.1 | -54.9 | 0 | 0 | 0 | 112.9 | D1883 | D1883-N1885 PolarHBondContact O-N 3.44Š| ||
| 1886 | L | 21.9 | Very low | 24.3 | Very low | 146 Ų | 146 | 121.8 Ų | 121.8 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | trans | -168.2 | 97.1 | 139.2 | -107.3 | 162.8 | 0 | 0 | 0 | 110.7 | F1889 | L1886-F1889 HydrophobicContact CD2-CD2 4.43Š| ||
| 1887 | L | 21.3 | Very low | 23.8 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | -68.7 | 150.1 | 156.1 | -92.3 | 158 | 0 | 0 | 0 | 109 | ||||
| 1888 | L | 22.3 | Very low | 23.6 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | trans | 63.1 | 82.1 | 172.1 | -65.6 | 158.9 | 0 | 0 | 0 | 116 | ||||
| 1889 | F | 22.2 | Very low | 23.3 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | trans | -140.3 | 56.1 | 143.5 | -98.2 | -66.5 | 0 | 0 | 0 | 111.7 | L1886 A1892 | L1886-F1889 HydrophobicContact CD2-CD2 4.43Å; F1889-A1892 HydrophobicContact CD1-CB 3.8Å; F1889-A1892 HydrophobicContact CE1-CB 3.73Å | ||
| 1890 | N | 21.3 | Very low | 23.1 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -72.7 | 161.8 | 138.8 | -79.1 | -3.7 | 0 | 0 | 0 | 108 | ||
| 1891 | D | 23.8 | Very low | 23 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 66.2 | 44.2 | 167.6 | -51.3 | -22.7 | 0 | 0 | 0 | 117.5 | ||
| 1892 | A | 24.5 | Very low | 22.8 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 52% | 0.521 | 77% | 0.771 | S | S | . | * | trans | -151.8 | 54.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F1889 | F1889-A1892 HydrophobicContact CD1-CB 3.8Å; F1889-A1892 HydrophobicContact CE1-CB 3.73Å | ||
| 1893 | L | 22.3 | Very low | 22.6 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -156 | 30.4 | 163.3 | -118.4 | 167.7 | 0 | 0 | 0 | 116 | T1895 | L1893-T1895 VanDerWaalsContact C-N 3.28Å; L1893-T1895 PolarHBondContact O-N 2.96Å | ||
| 1894 | S | 20.6 | Very low | 22.7 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -81.9 | 58.6 | 174.6 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1895 | T | 22.5 | Very low | 22.5 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | trans | -150.9 | 100.3 | 169.2 | 30.7 | 0 | 0 | 0 | 0 | 114.1 | L1893 | L1893-T1895 VanDerWaalsContact C-N 3.28Å; L1893-T1895 PolarHBondContact O-N 2.96Å | ||
| 1896 | S | 21.5 | Very low | 22.5 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 42.5 | 106.5 | 135.7 | 62.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1897 | S | 21.1 | Very low | 22.5 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | 84.7 | 152.1 | 117.7 | 76.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 1898 | T | 21.9 | Very low | 22.5 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 71.4 | 103 | 162.6 | 47 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1899 | L | 21.3 | Very low | 22.5 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -27.6 | 149.2 | 153.3 | -73.3 | 69.3 | 0 | 0 | 0 | 116.2 | ||||
| 1900 | L | 23.2 | Very low | 22.5 | Very low | 172 Ų | 172 | 139 Ų | 139 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -148 | 146.6 | 135.7 | -114.7 | 153.9 | 0 | 0 | 0 | 110.7 | ||||
| 1901 | S | 23.9 | Very low | 22.6 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -88.5 | 157.7 | -158.1 | 50 | 0 | 0 | 0 | 0 | 115.4 | S1903 | S1901-S1903 PolarHBondContact O-N 3.2Š| ||
| 1902 | K | 23.3 | Very low | 22.6 | Very low | 216 Ų | 216 | 140 Ų | 140 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -77 | 113 | -177.6 | -67.6 | 168.2 | -179 | 162.4 | 0 | 112.4 | ||||
| 1903 | S | 22.3 | Very low | 22.6 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -154.4 | 152.9 | 141 | 62.3 | 0 | 0 | 0 | 0 | 111 | S1901 | S1901-S1903 PolarHBondContact O-N 3.2Š| ||
| 1904 | N | 24.7 | Very low | 22.7 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | 63.2 | 47.6 | 167.7 | -57.5 | -16.2 | 0 | 0 | 0 | 118.6 | ||||
| 1905 | A | 23.3 | Very low | 22.9 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -112 | 108.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1906 | K | 23.4 | Very low | 22.9 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -97.6 | 110.9 | -173.8 | -158.8 | 176.7 | -171.7 | 178.9 | 0 | 109.6 | I1908 | K1906-I1908 PolarHBondContact O-N 2.7Å; K1906-I1908 VanDerWaalsContact O-N 3.1Å | ||
| 1907 | L | 21.7 | Very low | 23.2 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -67.5 | 105.1 | -179.8 | -103 | 151.7 | 0 | 0 | 0 | 111 | F1909 | L1907-F1909 HydrophobicContact CB-CE2 4.41Š| ||
| 1908 | I | 22.3 | Very low | 23.4 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -98.1 | 115.8 | 171.7 | -63 | 177.1 | 0 | 0 | 0 | 107.9 | K1906 T1910 | K1906-I1908 PolarHBondContact O-N 2.7Å; K1906-I1908 VanDerWaalsContact O-N 3.1Å; I1908-T1910 PolarHBondContact O-N 3.39Å | ||
| 1909 | F | 21.5 | Very low | 23.5 | Very low | 182 Ų | 182 | 147 Ų | 147 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -82 | 113 | 178 | -69.2 | -99.1 | 0 | 0 | 0 | 110.3 | L1907 | L1907-F1909 HydrophobicContact CB-CE2 4.41Š| ||
| 1910 | T | 22.9 | Very low | 23.6 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -90.3 | 107.8 | 168.6 | 42.1 | 0 | 0 | 0 | 0 | 109.8 | I1908 K1912 | I1908-T1910 PolarHBondContact O-N 3.39Å; T1910-K1912 PolarHBondContact O-N 3.26Å | ||
| 1911 | C | 22.4 | Very low | 23.8 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -75.5 | 119.3 | 178.9 | -166.7 | 0 | 0 | 0 | 0 | 110.3 | S1913 | C1911-S1913 PolarHBondContact O-N 3.2Š| ||
| 1912 | K | 23.4 | Very low | 23.8 | Very low | 212 Ų | 212 | 151.6 Ų | 151.6 | 92% | 0.922 | 82% | 0.818 | S | S | * | * | trans | -79.2 | 99.8 | 172.9 | -82.2 | -171.5 | 172.5 | -176.4 | 0 | 110.2 | T1910 | T1910-K1912 PolarHBondContact O-N 3.26Š| ||
| 1913 | S | 24.6 | Very low | 23.8 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | trans | -104.2 | 107.7 | 176 | 57.5 | 0 | 0 | 0 | 0 | 113 | C1911 | C1911-S1913 PolarHBondContact O-N 3.2Š| ||
| 1914 | N | 25 | Very low | 23.9 | Very low | 154 Ų | 154 | 150.8 Ų | 150.8 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | 67.8 | 155.5 | 144.7 | -68 | 4.7 | 0 | 0 | 0 | 122.9 | ||||
| 1915 | C | 24 | Very low | 23.8 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | 73.2 | 93 | 155 | -64.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1916 | S | 24.2 | Very low | 23.9 | Very low | 94 Ų | 94 | 152.8 Ų | 152.8 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | 29 | 121.2 | 116.6 | 60.1 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1917 | N | 26.4 | Very low | 23.9 | Very low | 166 Ų | 166 | 150.1 Ų | 150.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | -164.1 | 171.1 | 97.5 | -103.2 | -15.3 | 0 | 0 | 0 | 112.8 | |||||
| 1918 | H | 25.6 | Very low | 24.1 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -92 | 159.3 | -171.8 | -115.8 | -95.4 | 0 | 0 | 0 | 114 | ||||
| 1919 | N | 23.8 | Very low | 24.2 | Very low | 135 Ų | 135 | 151.4 Ų | 151.4 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 85.9 | 134.7 | 155 | -60 | -9.8 | 0 | 0 | 0 | 121.3 | ||||
| 1920 | S | 23.7 | Very low | 24.4 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | 59.2 | 83.5 | 159.2 | 57.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1921 | K | 27.2 | Very low | 24.6 | Very low | 283 Ų | 283 | 150.6 Ų | 150.6 | 100% | 1.23 | 82% | 0.824 | S | S | * | * | -153.9 | 0 | 89.1 | -103.2 | -177.8 | 179.5 | -178.7 | 0 | 111.4 |
Retrieved 1,921 of 1,921 residues in 864.7 ms
(Link to these results)