| 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 | 41.2 | Very low | 49.1 | Very low | 106 Ų | 106 | 85 Ų | 85 | 52% | 0.522 | 47% | 0.472 | S | S | . | . | 0 | 89.9 | 0 | -166.5 | 173.1 | -96.8 | 0 | 0 | 108.1 | T27 D28 | M1-T27 HydrophobicContact CE-CG2 3.82Å; M1-D28 WeakPolarHBondContact CA-OD1 3.48Å; M1-D28 WeakPolarHBondContact CA-OD2 3.38Å; M1-D28 PolarHBondContact N-OD2 2.93Å | |||
| 2 | E | 37.9 | Very low | 50 | Low | 142 Ų | 142 | 88.5 Ų | 88.5 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | trans | -97.3 | 104.5 | 176.2 | -159.5 | 174.1 | -161.2 | 0 | 0 | 106.7 | Q4 D28 | E2-Q4 PolarHBondContact O-N 2.99Å; E2-D28 PolarHBondContact N-OD1 3.28Å | ||
| 3 | V | 45.7 | Very low | 50.3 | Low | 37 Ų | 37 | 84.7 Ų | 84.7 | 22% | 0.224 | 47% | 0.474 | C | S | . | . | trans | -72.2 | 97.3 | -179.8 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | N5 A6 F25 L128 | V3-N5 PolarHBondContact O-N 3.31Å; V3-A6 HydrophobicContact CG1-CB 4.29Å; V3-F25 HydrophobicContact CG1-CD1 3.85Å; V3-F25 HydrophobicContact CG2-CD1 4.1Å; V3-L128 HydrophobicContact CB-CD2 3.77Å; V3-L128 HydrophobicContact CG1-CD2 4.14Å; V3-L128 HydrophobicContact CG2-CD2 4.19Å | ||
| 4 | Q | 44.9 | Very low | 50.9 | Low | 132 Ų | 132 | 86.2 Ų | 86.2 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | trans | -72.9 | -25.4 | -171.8 | -72.6 | -174.4 | -2.1 | 0 | 0 | 113.9 | E2 | E2-Q4 PolarHBondContact O-N 2.99Š| ||
| 5 | N | 46.8 | Very low | 51 | Low | 124 Ų | 124 | 88.5 Ų | 88.5 | 66% | 0.663 | 51% | 0.512 | S | S | * | . | trans | -159 | 121.3 | 175.6 | -74 | -64.2 | 0 | 0 | 0 | 109.3 | V3 | V3-N5 PolarHBondContact O-N 3.31Š| ||
| 6 | A | 50.2 | Low | 51.4 | Low | 46 Ų | 46 | 87.4 Ų | 87.4 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | trans | -105.7 | 114.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V3 D24 | V3-A6 HydrophobicContact CG1-CB 4.29Å; A6-D24 WeakPolarHBondContact CA-O 3.43Å | ||
| 7 | S | 50.7 | Low | 52 | Low | 64 Ų | 64 | 91.1 Ų | 91.1 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.1 | 167.1 | 35.8 | 0 | 0 | 0 | 0 | 109.4 | D24 | S7-D24 PolarHBondContact O-N 3.21Å; S7-D24 WeakPolarHBondContact OG-CB 3.38Å; S7-D24 PolarHBondContact OG-OD2 3.46Å |
| 8 | I | 57 | Low | 52.3 | Low | 56 Ų | 56 | 89 Ų | 89 | 29% | 0.287 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 116.6 | 173.1 | -48.9 | -175.5 | 0 | 0 | 0 | 107.9 | I21 L22 L23 I120 A124 | I8-I21 HydrophobicContact CG2-CG2 3.74Å; I8-L22 WeakPolarHBondContact CA-O 3.35Å; I8-L23 HydrophobicContact CB-CD2 4.34Å; I8-L23 HydrophobicContact CD1-CD2 3.83Å; I8-L23 HydrophobicContact CG1-CD2 3.66Å; I8-L23 HydrophobicContact CG2-CD2 4.02Å; I8-I120 HydrophobicContact CB-CG2 3.88Å; I8-I120 HydrophobicContact CD1-CG2 3.56Å; I8-I120 HydrophobicContact CG1-CG2 4.29Å; I8-I120 HydrophobicContact CG2-CG2 3.52Å; I8-A124 HydrophobicContact CD1-CB 3.61Å |
| 9 | S | 53.8 | Low | 52.7 | Low | 58 Ų | 58 | 86.9 Ų | 86.9 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.2 | 169.8 | 66.8 | 0 | 0 | 0 | 0 | 109.5 | L22 | S9-L22 PolarHBondContact N-O 3Å; S9-L22 PolarHBondContact O-N 2.78Å; S9-L22 WeakPolarHBondContact OG-CD1 3.34Å |
| 10 | A | 55.2 | Low | 53.6 | Low | 52 Ų | 52 | 85.2 Ų | 85.2 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | V19 K20 | A10-V19 HydrophobicContact CB-CG1 4.35Å; A10-K20 VanDerWaalsContact CA-O 3.3Å; A10-K20 WeakPolarHBondContact CA-O 3.43Å |
| 11 | E | 57.1 | Low | 54.5 | Low | 118 Ų | 118 | 82.5 Ų | 82.5 | 55% | 0.551 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122 | 173.4 | -169.5 | -179.1 | 179.4 | 0 | 0 | 108.9 | A13 K20 | E11-A13 PolarHBondContact O-N 3.08Å; E11-K20 PolarHBondContact N-O 3.1Å; E11-K20 PolarHBondContact O-N 2.97Å |
| 12 | I | 59.5 | Low | 55.9 | Low | 127 Ų | 127 | 78.8 Ų | 78.8 | 65% | 0.651 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 102.6 | 175 | -58.8 | 174.8 | 0 | 0 | 0 | 107.6 | S14 | I12-S14 PolarHBondContact O-N 3.11Å |
| 13 | A | 53.6 | Low | 57.7 | Low | 39 Ų | 39 | 73.3 Ų | 73.3 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 87.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | E11 T16 K17 Q18 | E11-A13 PolarHBondContact O-N 3.08Å; A13-T16 PolarHBondContact O-N 3.21Å; A13-T16 PolarHBondContact O-OG1 2.95Å; A13-K17 PolarHBondContact O-N 3.38Å; A13-Q18 PolarHBondContact N-O 3.45Å |
| 14 | S | 58.5 | Low | 58.9 | Low | 106 Ų | 106 | 73.3 Ų | 73.3 | 74% | 0.741 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 135.5 | 164.3 | -168.7 | 0 | 0 | 0 | 0 | 109.2 | I12 | I12-S14 PolarHBondContact O-N 3.11Š|
| 15 | P | 52.4 | Low | 60.1 | Low | 120 Ų | 120 | 68.7 Ų | 68.7 | 78% | 0.779 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.3 | -5.2 | 19.4 | 33.9 | -34.9 | 0 | 0 | 0 | 115.7 | K17 | P15-K17 VanDerWaalsContact C-N 3.29Å; P15-K17 PolarHBondContact O-N 3.13Å |
| 16 | T | 58.5 | Low | 60.9 | Low | 72 Ų | 72 | 69.4 Ų | 69.4 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2.3 | -170.2 | 59.3 | 0 | 0 | 0 | 0 | 115.5 | A13 Q18 | A13-T16 PolarHBondContact O-N 3.21Å; A13-T16 PolarHBondContact O-OG1 2.95Å; T16-Q18 PolarHBondContact O-N 3.4Å; T16-Q18 WeakPolarHBondContact OG1-CG 3.5Å |
| 17 | K | 61.1 | Low | 61.7 | Low | 149 Ų | 149 | 68.5 Ų | 68.5 | 65% | 0.648 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 23 | -173.2 | -65.2 | -177.9 | -178.5 | 179.9 | 0 | 113 | A13 P15 V19 P41 | A13-K17 PolarHBondContact O-N 3.38Å; P15-K17 VanDerWaalsContact C-N 3.29Å; P15-K17 PolarHBondContact O-N 3.13Å; K17-V19 PolarHBondContact O-N 3.24Å; K17-P41 HydrophobicContact CB-CG 3.62Å; K17-P41 VanDerWaalsContact O-CD 3.26Å; K17-P41 WeakPolarHBondContact O-CD 3.46Å; K17-P41 WeakPolarHBondContact O-CG 3.43Å |
| 18 | Q | 58.1 | Low | 62.2 | Low | 54 Ų | 54 | 70.5 Ų | 70.5 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127 | 176.6 | -72.9 | 175.6 | 26.5 | 0 | 0 | 108.6 | A13 T16 L40 | A13-Q18 PolarHBondContact N-O 3.45Å; T16-Q18 PolarHBondContact O-N 3.4Å; T16-Q18 WeakPolarHBondContact OG1-CG 3.5Å; Q18-L40 HydrophobicContact CG-CD2 3.58Å; Q18-L40 HydrophobicContact CG-CG 4.38Å |
| 19 | V | 59.9 | Low | 63.1 | Low | 50 Ų | 50 | 73 Ų | 73 | 30% | 0.303 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 112.8 | 169.7 | -176.6 | 0 | 0 | 0 | 0 | 106.9 | A10 K17 I21 V39 | A10-V19 HydrophobicContact CB-CG1 4.35Å; K17-V19 PolarHBondContact O-N 3.24Å; V19-I21 HydrophobicContact CG1-CG1 4.07Å; V19-V39 HydrophobicContact CB-CB 4.19Å; V19-V39 PolarHBondContact N-O 2.84Å; V19-V39 VanDerWaalsContact N-O 3.08Å; V19-V39 PolarHBondContact O-N 2.86Å |
| 20 | K | 69 | Low | 64.1 | Low | 51 Ų | 51 | 72.7 Ų | 72.7 | 22% | 0.222 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.4 | 171.4 | -175.8 | -175.1 | 177.9 | -166.5 | 0 | 108.1 | A10 E11 L22 L37 Y38 | A10-K20 VanDerWaalsContact CA-O 3.3Å; A10-K20 WeakPolarHBondContact CA-O 3.43Å; E11-K20 PolarHBondContact N-O 3.1Å; E11-K20 PolarHBondContact O-N 2.97Å; K20-L22 HydrophobicContact CD-CD1 4.18Å; K20-L22 HydrophobicContact CG-CD1 4.46Å; K20-L22 HydrophobicContact CG-CG 4.5Å; K20-L37 WeakPolarHBondContact CA-O 3.3Å; K20-Y38 HydrophobicContact CD-CE1 4.29Å; K20-Y38 HydrophobicContact CG-CE1 4.15Å |
| 21 | I | 72.7 | Confident | 64.6 | Low | 29 Ų | 29 | 75.6 Ų | 75.6 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116.3 | 172.6 | -52.8 | 173.5 | 0 | 0 | 0 | 107 | I8 V19 L23 C36 L37 V39 | I8-I21 HydrophobicContact CG2-CG2 3.74Å; V19-I21 HydrophobicContact CG1-CG1 4.07Å; I21-L23 HydrophobicContact CG2-CD2 3.94Å; I21-L23 HydrophobicContact CG2-CG 4.25Å; I21-C36 WeakPolarHBondContact O-CA 3.47Å; I21-L37 HydrophobicContact CB-CB 4.22Å; I21-L37 PolarHBondContact N-O 3.11Å; I21-L37 PolarHBondContact O-N 3.06Å; I21-V39 HydrophobicContact CD1-CG2 4.13Å |
| 22 | L | 71.3 | Confident | 65.1 | Low | 29 Ų | 29 | 75 Ų | 75 | 15% | 0.152 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125 | 169.8 | -73.5 | 134.9 | 0 | 0 | 0 | 108.4 | I8 S9 K20 V34 V35 C36 | I8-L22 WeakPolarHBondContact CA-O 3.35Å; S9-L22 PolarHBondContact N-O 3Å; S9-L22 PolarHBondContact O-N 2.78Å; S9-L22 WeakPolarHBondContact OG-CD1 3.34Å; K20-L22 HydrophobicContact CD-CD1 4.18Å; K20-L22 HydrophobicContact CG-CD1 4.46Å; K20-L22 HydrophobicContact CG-CG 4.5Å; L22-V34 HydrophobicContact CD2-CG1 3.64Å; L22-V35 WeakPolarHBondContact CA-O 3.42Å; L22-C36 WeakPolarHBondContact CD2-SG 3.32Å |
| 23 | L | 75.5 | Confident | 65.5 | Low | 26 Ų | 26 | 72.5 Ų | 72.5 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.7 | 170.9 | -53.2 | 171.8 | 0 | 0 | 0 | 108 | I8 I21 F25 V35 L37 | I8-L23 HydrophobicContact CB-CD2 4.34Å; I8-L23 HydrophobicContact CD1-CD2 3.83Å; I8-L23 HydrophobicContact CG1-CD2 3.66Å; I8-L23 HydrophobicContact CG2-CD2 4.02Å; I21-L23 HydrophobicContact CG2-CD2 3.94Å; I21-L23 HydrophobicContact CG2-CG 4.25Å; L23-F25 HydrophobicContact CB-CD2 4.34Å; L23-F25 HydrophobicContact CB-CE2 3.49Å; L23-F25 VanDerWaalsContact CB-CE2 3.49Å; L23-F25 HydrophobicContact CB-CZ 3.85Å; L23-F25 HydrophobicContact CD1-CE2 4.27Å; L23-F25 HydrophobicContact CD1-CZ 4.12Å; L23-V35 HydrophobicContact CB-CB 4.21Å; L23-V35 PolarHBondContact N-O 2.87Å; L23-V35 PolarHBondContact O-N 3.08Å; L23-L37 HydrophobicContact CD1-CD1 4.09Å |
| 24 | D | 72 | Confident | 66.4 | Low | 38 Ų | 38 | 73.8 Ų | 73.8 | 20% | 0.203 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122 | 175.5 | -61.7 | -34.9 | 0 | 0 | 0 | 109.6 | A6 S7 L32 V34 | A6-D24 WeakPolarHBondContact CA-O 3.43Å; S7-D24 PolarHBondContact O-N 3.21Å; S7-D24 WeakPolarHBondContact OG-CB 3.38Å; S7-D24 PolarHBondContact OG-OD2 3.46Å; D24-L32 HydrophobicContact CB-CD1 4.14Å; D24-V34 WeakPolarHBondContact OD1-CG1 3.48Å; D24-V34 WeakPolarHBondContact OD1-CG2 3.41Å |
| 25 | F | 69.2 | Low | 67.3 | Low | 35 Ų | 35 | 70 Ų | 70 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.1 | 173.2 | -55.1 | -90.9 | 0 | 0 | 0 | 109.2 | V3 L23 L32 L33 V35 | V3-F25 HydrophobicContact CG1-CD1 3.85Å; V3-F25 HydrophobicContact CG2-CD1 4.1Å; L23-F25 HydrophobicContact CB-CD2 4.34Å; L23-F25 HydrophobicContact CB-CE2 3.49Å; L23-F25 VanDerWaalsContact CB-CE2 3.49Å; L23-F25 HydrophobicContact CB-CZ 3.85Å; L23-F25 HydrophobicContact CD1-CE2 4.27Å; L23-F25 HydrophobicContact CD1-CZ 4.12Å; F25-L32 CarbonylContact O-C 3.59Å; F25-L32 WeakPolarHBondContact O-CA 3.43Å; F25-L33 HydrophobicContact CB-CB 4.23Å; F25-L33 HydrophobicContact CD2-CD2 4.27Å; F25-L33 PolarHBondContact N-O 2.98Å; F25-L33 PolarHBondContact O-N 3.34Å; F25-V35 HydrophobicContact CD2-CG2 3.97Å; F25-V35 HydrophobicContact CE2-CB 4.2Å; F25-V35 HydrophobicContact CE2-CG2 3.7Å |
| 26 | R | 63.3 | Low | 68.3 | Low | 138 Ų | 138 | 66.6 Ų | 66.6 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.7 | 164.2 | -79.6 | -172.8 | -179.2 | -158.2 | -1 | 109.7 | Q31 L32 | R26-Q31 CarbonylContact C-O 3.56Å; R26-Q31 WeakPolarHBondContact CA-O 3.47Å; R26-L32 HydrophobicContact CG-CD1 4.01Å |
| 27 | T | 67.5 | Low | 69.1 | Low | 27 Ų | 27 | 64.2 Ų | 64.2 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | trans | -79.5 | 164.3 | 172.9 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | M1 D29 G30 Q31 | M1-T27 HydrophobicContact CE-CG2 3.82Å; T27-D29 WeakPolarHBondContact CB-OD1 3.44Å; T27-D29 PolarHBondContact O-N 3.46Å; T27-D29 PolarHBondContact OG1-OD1 2.99Å; T27-G30 WeakPolarHBondContact O-CA 3.5Å; T27-G30 PolarHBondContact O-N 3.34Å; T27-Q31 HydrophobicContact CG2-CB 4.48Å; T27-Q31 PolarHBondContact N-O 2.89Å; T27-Q31 WeakPolarHBondContact OG1-CA 3.37Å; T27-Q31 VanDerWaalsContact OG1-CB 3.26Å; T27-Q31 WeakPolarHBondContact OG1-CB 3.47Å; T27-Q31 PolarHBondContact OG1-N 3.49Å; T27-Q31 PolarHBondContact OG1-O 3.26Å; T27-Q31 VanDerWaalsContact OG1-O 3.12Å | ||
| 28 | D | 61.9 | Low | 69.4 | Low | 107 Ų | 107 | 62.6 Ų | 62.6 | 57% | 0.572 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.6 | -177.6 | -59.5 | -24.6 | 0 | 0 | 0 | 112.3 | M1 E2 G30 | M1-D28 WeakPolarHBondContact CA-OD1 3.48Å; M1-D28 WeakPolarHBondContact CA-OD2 3.38Å; M1-D28 PolarHBondContact N-OD2 2.93Å; E2-D28 PolarHBondContact N-OD1 3.28Å; D28-G30 VanDerWaalsContact C-N 3.29Å |
| 29 | D | 76.1 | Confident | 69.9 | Low | 109 Ų | 109 | 63 Ų | 63 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 7.5 | 173.2 | 65 | -32.2 | 0 | 0 | 0 | 113.6 | T27 Q31 | T27-D29 WeakPolarHBondContact CB-OD1 3.44Å; T27-D29 PolarHBondContact O-N 3.46Å; T27-D29 PolarHBondContact OG1-OD1 2.99Å; D29-Q31 VanDerWaalsContact OD2-CD 3.28Å; D29-Q31 WeakPolarHBondContact OD2-CG 3.3Å; D29-Q31 PolarHBondContact OD2-NE2 2.9Å |
| 30 | G | 74.4 | Confident | 70 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 53% | 0.526 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 82.1 | 7.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T27 D28 | T27-G30 WeakPolarHBondContact O-CA 3.5Å; T27-G30 PolarHBondContact O-N 3.34Å; D28-G30 VanDerWaalsContact C-N 3.29Å |
| 31 | Q | 66.2 | Low | 69.3 | Low | 112 Ų | 112 | 66.3 Ų | 66.3 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | trans | -73.3 | 143.2 | 174.8 | -54.2 | -175 | 20.3 | 0 | 0 | 110.8 | R26 T27 D29 | R26-Q31 CarbonylContact C-O 3.56Å; R26-Q31 WeakPolarHBondContact CA-O 3.47Å; T27-Q31 HydrophobicContact CG2-CB 4.48Å; T27-Q31 PolarHBondContact N-O 2.89Å; T27-Q31 WeakPolarHBondContact OG1-CA 3.37Å; T27-Q31 VanDerWaalsContact OG1-CB 3.26Å; T27-Q31 WeakPolarHBondContact OG1-CB 3.47Å; T27-Q31 PolarHBondContact OG1-N 3.49Å; T27-Q31 PolarHBondContact OG1-O 3.26Å; T27-Q31 VanDerWaalsContact OG1-O 3.12Å; D29-Q31 VanDerWaalsContact OD2-CD 3.28Å; D29-Q31 WeakPolarHBondContact OD2-CG 3.3Å; D29-Q31 PolarHBondContact OD2-NE2 2.9Å | ||
| 32 | L | 67.6 | Low | 68.2 | Low | 105 Ų | 105 | 72.9 Ų | 72.9 | 55% | 0.55 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114.5 | 176.9 | -172.7 | 73 | 0 | 0 | 0 | 109.4 | D24 F25 R26 V34 | D24-L32 HydrophobicContact CB-CD1 4.14Å; F25-L32 CarbonylContact O-C 3.59Å; F25-L32 WeakPolarHBondContact O-CA 3.43Å; R26-L32 HydrophobicContact CG-CD1 4.01Å; L32-V34 HydrophobicContact CD2-CG2 3.91Å; L32-V34 HydrophobicContact CG-CG2 3.97Å |
| 33 | L | 67.2 | Low | 67.3 | Low | 75 Ų | 75 | 78.9 Ų | 78.9 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.6 | 170.6 | -178.3 | 78 | 0 | 0 | 0 | 108.9 | F25 V35 | F25-L33 HydrophobicContact CB-CB 4.23Å; F25-L33 HydrophobicContact CD2-CD2 4.27Å; F25-L33 PolarHBondContact N-O 2.98Å; F25-L33 PolarHBondContact O-N 3.34Å; L33-V35 HydrophobicContact CD2-CG2 4.24Å; L33-V35 HydrophobicContact CG-CG2 4.28Å |
| 34 | V | 72.4 | Confident | 66 | Low | 67 Ų | 67 | 86.2 Ų | 86.2 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.8 | 177.1 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | L22 D24 L32 | L22-V34 HydrophobicContact CD2-CG1 3.64Å; D24-V34 WeakPolarHBondContact OD1-CG1 3.48Å; D24-V34 WeakPolarHBondContact OD1-CG2 3.41Å; L32-V34 HydrophobicContact CD2-CG2 3.91Å; L32-V34 HydrophobicContact CG-CG2 3.97Å |
| 35 | V | 76.4 | Confident | 65 | Low | 25 Ų | 25 | 93.6 Ų | 93.6 | 15% | 0.152 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | L22 L23 F25 L33 L37 L72 | L22-V35 WeakPolarHBondContact CA-O 3.42Å; L23-V35 HydrophobicContact CB-CB 4.21Å; L23-V35 PolarHBondContact N-O 2.87Å; L23-V35 PolarHBondContact O-N 3.08Å; F25-V35 HydrophobicContact CD2-CG2 3.97Å; F25-V35 HydrophobicContact CE2-CB 4.2Å; F25-V35 HydrophobicContact CE2-CG2 3.7Å; L33-V35 HydrophobicContact CD2-CG2 4.24Å; L33-V35 HydrophobicContact CG-CG2 4.28Å; V35-L37 HydrophobicContact CG1-CG 4.49Å; V35-L72 HydrophobicContact CG1-CD1 3.79Å; V35-L72 HydrophobicContact CG1-CD2 4.47Å |
| 36 | C | 73.2 | Confident | 63.8 | Low | 49 Ų | 49 | 100.6 Ų | 100.6 | 33% | 0.331 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.5 | 174.2 | -70.6 | 0 | 0 | 0 | 0 | 110.3 | I21 L22 Y38 | I21-C36 WeakPolarHBondContact O-CA 3.47Å; L22-C36 WeakPolarHBondContact CD2-SG 3.32Å; C36-Y38 HydrophobicContact CB-CE2 4.02Å |
| 37 | L | 76.3 | Confident | 63.1 | Low | 23 Ų | 23 | 101.9 Ų | 101.9 | 12% | 0.12 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.5 | 169.7 | -60.5 | 165.7 | 0 | 0 | 0 | 109.2 | K20 I21 L23 V35 L70 L72 L169 | K20-L37 WeakPolarHBondContact CA-O 3.3Å; I21-L37 HydrophobicContact CB-CB 4.22Å; I21-L37 PolarHBondContact N-O 3.11Å; I21-L37 PolarHBondContact O-N 3.06Å; L23-L37 HydrophobicContact CD1-CD1 4.09Å; V35-L37 HydrophobicContact CG1-CG 4.49Å; L37-L70 HydrophobicContact CD2-CD2 3.96Å; L37-L72 HydrophobicContact CD2-CD1 3.7Å; L37-L169 HydrophobicContact CD2-CD2 4.24Å |
| 38 | Y | 66.7 | Low | 62.2 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 45% | 0.451 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 111.2 | 173.4 | -67.6 | -92.2 | 0 | 0 | 0 | 108.6 | K20 C36 | K20-Y38 HydrophobicContact CD-CE1 4.29Å; K20-Y38 HydrophobicContact CG-CE1 4.15Å; C36-Y38 HydrophobicContact CB-CE2 4.02Å |
| 39 | V | 69.8 | Low | 61.5 | Low | 63 Ų | 63 | 110.7 Ų | 110.7 | 38% | 0.382 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 105.3 | 171.3 | -171.9 | 0 | 0 | 0 | 0 | 107.3 | V19 I21 | V19-V39 HydrophobicContact CB-CB 4.19Å; V19-V39 PolarHBondContact N-O 2.84Å; V19-V39 VanDerWaalsContact N-O 3.08Å; V19-V39 PolarHBondContact O-N 2.86Å; I21-V39 HydrophobicContact CD1-CG2 4.13Å |
| 40 | L | 60.9 | Low | 60.2 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 61% | 0.613 | 58% | 0.581 | S | S | * | * | trans | -79.7 | 123.5 | 169.8 | -77.8 | 158.7 | 0 | 0 | 0 | 108 | Q18 L42 | Q18-L40 HydrophobicContact CG-CD2 3.58Å; Q18-L40 HydrophobicContact CG-CG 4.38Å; L40-L42 PolarHBondContact O-N 3.4Å | ||
| 41 | P | 55.4 | Low | 58.9 | Low | 53 Ų | 53 | 113.7 Ų | 113.7 | 34% | 0.344 | 60% | 0.595 | S | S | . | * | trans | -63.8 | 132.8 | 171.4 | 25.2 | -29 | 0 | 0 | 0 | 108 | K17 L43 | K17-P41 HydrophobicContact CB-CG 3.62Å; K17-P41 VanDerWaalsContact O-CD 3.26Å; K17-P41 WeakPolarHBondContact O-CD 3.46Å; K17-P41 WeakPolarHBondContact O-CG 3.43Å; P41-L43 VanDerWaalsContact C-N 3.31Å; P41-L43 PolarHBondContact O-N 3.08Å | ||
| 42 | L | 49.3 | Very low | 58 | Low | 166 Ų | 166 | 113.5 Ų | 113.5 | 87% | 0.869 | 61% | 0.606 | S | S | * | * | trans | -60.8 | 100.3 | 165.9 | -83 | 153.3 | 0 | 0 | 0 | 106.8 | L40 E44 | L40-L42 PolarHBondContact O-N 3.4Å; L42-E44 PolarHBondContact O-N 3.39Å | ||
| 43 | L | 51.9 | Low | 57.2 | Low | 156 Ų | 156 | 116.7 Ų | 116.7 | 82% | 0.817 | 62% | 0.623 | S | S | * | * | trans | -63.1 | 97.3 | 158.7 | -79.4 | 162.8 | 0 | 0 | 0 | 105.1 | P41 K45 | P41-L43 VanDerWaalsContact C-N 3.31Å; P41-L43 PolarHBondContact O-N 3.08Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 2.98Å | ||
| 44 | E | 48.5 | Very low | 56.2 | Low | 180 Ų | 180 | 123.8 Ų | 123.8 | 84% | 0.841 | 65% | 0.645 | S | S | * | * | trans | -52.7 | 107.8 | 162.1 | -171.1 | 164.6 | -154.4 | 0 | 0 | 105.3 | L42 Q46 | L42-E44 PolarHBondContact O-N 3.39Å; E44-Q46 PolarHBondContact O-N 3.46Å | ||
| 45 | K | 50.3 | Low | 55.1 | Low | 192 Ų | 192 | 127.6 Ų | 127.6 | 84% | 0.835 | 66% | 0.663 | S | S | * | * | trans | -58.6 | 98.3 | 168 | -95.4 | -176.5 | 172.2 | -174.9 | 0 | 104.8 | L43 E47 | L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 2.98Å; K45-E47 PolarHBondContact O-N 3.07Å | ||
| 46 | Q | 44.1 | Very low | 53.9 | Low | 183 Ų | 183 | 134.8 Ų | 134.8 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | trans | -61.3 | 101.4 | 160.2 | -160.1 | 172.3 | 21.7 | 0 | 0 | 103.7 | E44 | E44-Q46 PolarHBondContact O-N 3.46Š| ||
| 47 | E | 48.8 | Very low | 52.8 | Low | 165 Ų | 165 | 137.3 Ų | 137.3 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | trans | -53.9 | 131.8 | 170.1 | -71.6 | -137.9 | 144.6 | 0 | 0 | 106.4 | K45 E49 | K45-E47 PolarHBondContact O-N 3.07Å; E47-E49 PolarHBondContact O-N 3.07Å | ||
| 48 | P | 49.3 | Very low | 51.8 | Low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -58.2 | 121.5 | 170.1 | 25.6 | -30.1 | 0 | 0 | 0 | 105.6 | G50 | P48-G50 PolarHBondContact O-N 3.28Š| ||
| 49 | E | 47.1 | Very low | 51.1 | Low | 201 Ų | 201 | 141.2 Ų | 141.2 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -58 | 95 | 169 | -75.1 | -162.4 | 157.9 | 0 | 0 | 106.9 | E47 N51 | E47-E49 PolarHBondContact O-N 3.07Å; E49-N51 PolarHBondContact O-N 2.66Å | ||
| 50 | G | 48.5 | Very low | 49.9 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -67.1 | 115.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | P48 S52 | P48-G50 PolarHBondContact O-N 3.28Å; G50-S52 PolarHBondContact O-N 3.05Å | ||
| 51 | N | 47.9 | Very low | 49.2 | Very low | 154 Ų | 154 | 153.6 Ų | 153.6 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -30.9 | 133.4 | 167.4 | -103.3 | -16.5 | 0 | 0 | 0 | 112.9 | E49 N53 | E49-N51 PolarHBondContact O-N 2.66Å; N51-N53 PolarHBondContact O-N 3.27Å | ||
| 52 | S | 46.2 | Very low | 48.6 | Very low | 108 Ų | 108 | 162.8 Ų | 162.8 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | -33.3 | 115.7 | 167.2 | 54 | 0 | 0 | 0 | 0 | 113.6 | G50 | G50-S52 PolarHBondContact O-N 3.05Š| ||
| 53 | N | 50.2 | Low | 48.3 | Very low | 171 Ų | 171 | 162.1 Ų | 162.1 | 91% | 0.914 | 82% | 0.823 | S | S | * | * | trans | -143.9 | 134.5 | 143.4 | -108.3 | -21.4 | 0 | 0 | 0 | 110.7 | N51 | N51-N53 PolarHBondContact O-N 3.27Š| ||
| 54 | R | 46.2 | Very low | 47.7 | Very low | 224 Ų | 224 | 159.2 Ų | 159.2 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -69.8 | 159.4 | -169.3 | -71.9 | 177.8 | 168.7 | 177.6 | -4 | 112.7 | ||||
| 55 | D | 50.3 | Low | 47.2 | Very low | 147 Ų | 147 | 162.1 Ų | 162.1 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | 77.2 | 79.3 | 158.5 | -57.7 | -31.3 | 0 | 0 | 0 | 118.5 | ||||
| 56 | M | 50.2 | Low | 46.8 | Very low | 177 Ų | 177 | 162.4 Ų | 162.4 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -164.6 | 140 | 140.6 | -101.2 | -75.7 | 103.9 | 0 | 0 | 110.2 | ||||
| 57 | P | 51.7 | Low | 46.5 | Very low | 101 Ų | 101 | 158.5 Ų | 158.5 | 66% | 0.656 | 82% | 0.817 | S | S | * | * | trans | -79.5 | 147 | -177.7 | 32.2 | -31.3 | 0 | 0 | 0 | 111.6 | A59 | P57-A59 PolarHBondContact O-N 3.48Š| ||
| 58 | P | 55.5 | Low | 46.2 | Very low | 125 Ų | 125 | 155.5 Ų | 155.5 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -81.4 | 112.2 | -170.1 | 31.3 | -32 | 0 | 0 | 0 | 111.4 | K60 | P58-K60 PolarHBondContact O-N 3.28Š| ||
| 59 | A | 50.3 | Low | 45.6 | Very low | 95 Ų | 95 | 154.3 Ų | 154.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -69.6 | 121.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P57 R61 | P57-A59 PolarHBondContact O-N 3.48Å; A59-R61 VanDerWaalsContact C-N 3.35Å; A59-R61 PolarHBondContact O-N 2.86Å | ||
| 60 | K | 46.2 | Very low | 45.2 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -61.1 | 85.2 | 177.2 | -67.4 | 174.4 | 179.2 | 174.6 | 0 | 111.5 | P58 | P58-K60 PolarHBondContact O-N 3.28Š| ||
| 61 | R | 45.8 | Very low | 44.5 | Very low | 230 Ų | 230 | 154.4 Ų | 154.4 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -96.6 | 89.4 | 168 | -129 | 176.2 | -179.2 | 171.6 | -0 | 108.9 | A59 L63 | A59-R61 VanDerWaalsContact C-N 3.35Å; A59-R61 PolarHBondContact O-N 2.86Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.22Å | ||
| 62 | R | 42.8 | Very low | 43.9 | Very low | 246 Ų | 246 | 149.4 Ų | 149.4 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | trans | -65.3 | 95.8 | 165.4 | -70 | 176.1 | 81.4 | -174 | 5.4 | 107.2 | A64 | R62-A64 PolarHBondContact O-N 3.45Å; R62-A64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | L | 41.7 | Very low | 43.3 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -65.7 | 109 | 163.1 | -104 | 95.5 | 0 | 0 | 0 | 107.2 | R61 R65 | R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.22Å; L63-R65 PolarHBondContact O-N 3.04Å | ||
| 64 | A | 39.2 | Very low | 42.6 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 79% | 0.793 | 73% | 0.73 | S | S | * | * | trans | -60 | 105.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | R62 K66 | R62-A64 PolarHBondContact O-N 3.45Å; R62-A64 VanDerWaalsContact O-N 3.12Å; A64-K66 PolarHBondContact O-N 3.44Å | ||
| 65 | R | 39.8 | Very low | 41.9 | Very low | 241 Ų | 241 | 143.9 Ų | 143.9 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -66.1 | 112.3 | 170.3 | -74.1 | -178 | 169.4 | -177.3 | -3 | 107.5 | L63 | L63-R65 PolarHBondContact O-N 3.04Š| ||
| 66 | K | 40.8 | Very low | 41 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | trans | -65.7 | 134.2 | 167.4 | -75.9 | -178.4 | 176.3 | 179.1 | 0 | 108.2 | A64 S68 | A64-K66 PolarHBondContact O-N 3.44Å; K66-S68 PolarHBondContact O-N 3.28Å | ||
| 67 | P | 38.2 | Very low | 40 | Very low | 102 Ų | 102 | 141 Ų | 141 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | trans | -61.4 | 136.5 | 171.4 | 25.7 | -31.6 | 0 | 0 | 0 | 109.1 | N69 | P67-N69 PolarHBondContact O-N 3.46Š| ||
| 68 | S | 43.2 | Very low | 39.3 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -65.6 | 112.9 | 174.6 | 45.1 | 0 | 0 | 0 | 0 | 109.3 | K66 L70 | K66-S68 PolarHBondContact O-N 3.28Å; S68-L70 PolarHBondContact O-N 2.96Å | ||
| 69 | N | 36.6 | Very low | 38.4 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 118.7 | 171.9 | -68.3 | -17 | 0 | 0 | 0 | 108.6 | P67 W71 | P67-N69 PolarHBondContact O-N 3.46Å; N69-W71 HydrophobicContact CB-CZ2 4.42Å; N69-W71 PolarHBondContact O-NE1 3.35Å |
| 70 | L | 38 | Very low | 37.7 | Very low | 60 Ų | 60 | 142.5 Ų | 142.5 | 31% | 0.314 | 72% | 0.715 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.5 | 169.6 | -152.5 | 112.3 | 0 | 0 | 0 | 107.3 | L37 S68 L169 | L37-L70 HydrophobicContact CD2-CD2 3.96Å; S68-L70 PolarHBondContact O-N 2.96Å; L70-L169 HydrophobicContact CB-CD2 4.43Å; L70-L169 HydrophobicContact CD2-CD2 3.55Å |
| 71 | W | 34.9 | Very low | 37.1 | Very low | 213 Ų | 213 | 137 Ų | 137 | 81% | 0.807 | 71% | 0.709 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.3 | -178 | -63.4 | 82.8 | 0 | 0 | 0 | 109.6 | N69 | N69-W71 HydrophobicContact CB-CZ2 4.42Å; N69-W71 PolarHBondContact O-NE1 3.35Å |
| 72 | L | 34.9 | Very low | 36.9 | Very low | 49 Ų | 49 | 131.5 Ų | 131.5 | 26% | 0.257 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -90.6 | 120.5 | 171.4 | -162.6 | 84.2 | 0 | 0 | 0 | 108.8 | V35 L37 I74 | V35-L72 HydrophobicContact CG1-CD1 3.79Å; V35-L72 HydrophobicContact CG1-CD2 4.47Å; L37-L72 HydrophobicContact CD2-CD1 3.7Å; L72-I74 HydrophobicContact CD2-CD1 3.97Å; L72-I74 HydrophobicContact CD2-CG1 3.86Å; L72-I74 HydrophobicContact CG-CG1 4.36Å |
| 73 | K | 33.5 | Very low | 36.5 | Very low | 199 Ų | 199 | 126.3 Ų | 126.3 | 87% | 0.865 | 70% | 0.699 | S | S | * | * | trans | -110.8 | 109.8 | 172.8 | -167.9 | 172.6 | -175.3 | 175.2 | 0 | 109.2 | ||||
| 74 | I | 34 | Very low | 36.1 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 41% | 0.41 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -91.7 | 118.5 | 177.6 | -55.1 | 174.1 | 0 | 0 | 0 | 108.2 | L72 | L72-I74 HydrophobicContact CD2-CD1 3.97Å; L72-I74 HydrophobicContact CD2-CG1 3.86Å; L72-I74 HydrophobicContact CG-CG1 4.36Å |
| 75 | P | 31.9 | Very low | 36 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 125.7 | 174.2 | 23.3 | -20.9 | 0 | 0 | 0 | 110.7 | ||
| 76 | H | 32.1 | Very low | 35.6 | Very low | 131 Ų | 131 | 121 Ų | 121 | 61% | 0.606 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 127.9 | 172.2 | -57.4 | -78.2 | 0 | 0 | 0 | 110.2 | ||
| 77 | T | 29.4 | Very low | 35.1 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -100.8 | 93.7 | 162 | 50.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 78 | S | 36.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | trans | -90.4 | 114.3 | 167.4 | 163.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 79 | A | 36.1 | Very low | 34.5 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | -87.3 | 125.1 | 165 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 80 | N | 36 | Very low | 34 | Very low | 158 Ų | 158 | 124 Ų | 124 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | 95.2 | 87.9 | 174.6 | -54.4 | -23.1 | 0 | 0 | 0 | 117.2 | ||||
| 81 | A | 34.7 | Very low | 33.6 | Very low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | trans | -171.2 | 140.8 | 131.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 82 | P | 40.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 124 Ų | 124 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | -89 | 156.3 | 177.8 | 35.2 | -30.9 | 0 | 0 | 0 | 112.6 | ||||
| 83 | T | 34.2 | Very low | 33.1 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 60.4 | 89 | 161.4 | 48 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 84 | S | 35.2 | Very low | 33 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | -171.3 | 127.7 | 123.5 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | P86 | S84-P86 WeakPolarHBondContact O-CD 3.01Š| |||
| 85 | T | 35.3 | Very low | 32.7 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -56.7 | 137.3 | 175.4 | 38.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 86 | P | 32.9 | Very low | 32.6 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -119.2 | 129.2 | 143.8 | 30 | -15.4 | 0 | 0 | 0 | 111 | S84 | S84-P86 WeakPolarHBondContact O-CD 3.01Š| ||
| 87 | S | 28.8 | Very low | 32.4 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 132.9 | 175.6 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 88 | P | 38.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -83 | 123.9 | 170.4 | 31.8 | -28 | 0 | 0 | 0 | 109.7 | V90 | P88-V90 PolarHBondContact O-N 2.88Š|
| 89 | F | 31.2 | Very low | 32.1 | Very low | 206 Ų | 206 | 132.6 Ų | 132.6 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 130.9 | 167 | -77.3 | -93.9 | 0 | 0 | 0 | 111.4 | L91 | F89-L91 PolarHBondContact O-N 2.92Š|
| 90 | V | 25.9 | Very low | 31.6 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -66.8 | 110.9 | 170.8 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | P88 | P88-V90 PolarHBondContact O-N 2.88Š| ||
| 91 | L | 30.4 | Very low | 31.3 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -91.1 | 105.4 | 160.2 | -79.7 | 167.2 | 0 | 0 | 0 | 107.4 | F89 T93 | F89-L91 PolarHBondContact O-N 2.92Å; L91-T93 PolarHBondContact O-N 3.42Å | ||
| 92 | S | 26.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 116.6 | 169.5 | -44.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 93 | T | 32.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 127.3 | 163.4 | 46.4 | 0 | 0 | 0 | 0 | 108.3 | L91 | L91-T93 PolarHBondContact O-N 3.42Š|
| 94 | P | 31.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 140.1 | 163.6 | 30.7 | -29.1 | 0 | 0 | 0 | 109 | M96 | P94-M96 PolarHBondContact O-N 3.48Š|
| 95 | D | 26.3 | Very low | 30.2 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -53 | 123.8 | 179.3 | -70.7 | -45.7 | 0 | 0 | 0 | 111.6 | ||
| 96 | M | 30.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 77% | 0.768 | 80% | 0.801 | S | S | * | * | trans | -103.2 | 67.6 | 173.1 | -74.8 | -71.7 | -61.5 | 0 | 0 | 109 | P94 | P94-M96 PolarHBondContact O-N 3.48Š| ||
| 97 | E | 28.2 | Very low | 29.8 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -103.6 | 70 | 161.2 | -76.9 | -168.6 | 169.2 | 0 | 0 | 109.3 | ||||
| 98 | C | 27.8 | Very low | 30.1 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | trans | -171.7 | 148 | 156.4 | 27.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 99 | L | 31.4 | Very low | 29.9 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 96.9 | 62.7 | -179.6 | -46.5 | -178.8 | 0 | 0 | 0 | 115.3 | ||||
| 100 | A | 26 | Very low | 30.3 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -80.5 | 148.1 | 138.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 101 | S | 28.9 | Very low | 30.8 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 75.7 | 87.5 | 165.1 | -55.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 102 | L | 30.9 | Very low | 31.2 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | trans | -146.1 | 55 | 154.9 | -110.4 | 145.9 | 0 | 0 | 0 | 110.1 | ||||
| 103 | E | 28.3 | Very low | 31.7 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | -70.5 | 143.6 | 152.2 | -81.3 | 179 | 147.1 | 0 | 0 | 108.4 | ||||
| 104 | N | 28.7 | Very low | 31.9 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 90.1 | 84.3 | -178.8 | -52.8 | -43.3 | 0 | 0 | 0 | 116.5 | ||||
| 105 | R | 34.4 | Very low | 32.1 | Very low | 250 Ų | 250 | 132.6 Ų | 132.6 | 94% | 0.943 | 73% | 0.728 | S | S | * | * | -165 | 114.7 | 118.6 | -110.8 | 174.8 | 170.3 | 175.8 | -2.9 | 113.4 | |||||
| 106 | M | 27.7 | Very low | 32.7 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 80% | 0.803 | 71% | 0.709 | S | S | * | * | trans | -10.9 | 138 | 153.5 | -80.3 | 176 | 66.9 | 0 | 0 | 119.7 | ||||
| 107 | L | 30.2 | Very low | 33.2 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | trans | 84.5 | 88.2 | 143 | -64.6 | 161.6 | 0 | 0 | 0 | 119.4 | T109 | L107-T109 HydrophobicContact CD2-CG2 4.34Š| ||
| 108 | A | 36.5 | Very low | 33.6 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | trans | -91.3 | 115.4 | 136 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 109 | T | 34.6 | Very low | 33.9 | Very low | 66 Ų | 66 | 117.8 Ų | 117.8 | 41% | 0.405 | 66% | 0.66 | S | S | . | * | trans | -78 | 143.4 | 178.8 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | L107 K111 T112 | L107-T109 HydrophobicContact CD2-CG2 4.34Å; T109-K111 PolarHBondContact O-N 2.82Å; T109-T112 PolarHBondContact O-N 2.83Å; T109-T112 VanDerWaalsContact O-N 3.08Å; T109-T112 PolarHBondContact O-OG1 3.35Å; T109-T112 PolarHBondContact OG1-OG1 3.21Å | ||
| 110 | P | 39.4 | Very low | 34.4 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 69% | 0.688 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -51.7 | -32.8 | -178.5 | -25.1 | 30.9 | 0 | 0 | 0 | 114.1 | T112 A113 D114 | P110-T112 PolarHBondContact O-N 3.34Å; P110-A113 PolarHBondContact O-N 3.5Å; P110-D114 PolarHBondContact O-N 2.68Å |
| 111 | K | 35.8 | Very low | 35.3 | Very low | 166 Ų | 166 | 115.8 Ų | 115.8 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.1 | -24.6 | -178.5 | -69.2 | -176.1 | 176.4 | 179.7 | 0 | 114.5 | T109 V115 | T109-K111 PolarHBondContact O-N 2.82Å; K111-V115 VanDerWaalsContact O-CG2 3.26Å; K111-V115 WeakPolarHBondContact O-CG2 3.33Å; K111-V115 PolarHBondContact O-N 3.36Å |
| 112 | T | 39.1 | Very low | 35.7 | Very low | 85 Ų | 85 | 116.2 Ų | 116.2 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -80 | -30.6 | -179.3 | -38.4 | 0 | 0 | 0 | 0 | 111.6 | T109 P110 V116 | T109-T112 PolarHBondContact O-N 2.83Å; T109-T112 VanDerWaalsContact O-N 3.08Å; T109-T112 PolarHBondContact O-OG1 3.35Å; T109-T112 PolarHBondContact OG1-OG1 3.21Å; P110-T112 PolarHBondContact O-N 3.34Å; T112-V116 VanDerWaalsContact O-CG2 3.22Å; T112-V116 WeakPolarHBondContact O-CG2 3.41Å; T112-V116 PolarHBondContact O-N 3.41Å |
| 113 | A | 37.5 | Very low | 36.6 | Very low | 63 Ų | 63 | 111 Ų | 111 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.4 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P110 V115 V116 E117 | P110-A113 PolarHBondContact O-N 3.5Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-V115 PolarHBondContact O-N 3.2Å; A113-V116 PolarHBondContact O-N 3.33Å; A113-E117 WeakPolarHBondContact O-CB 3.38Å; A113-E117 PolarHBondContact O-N 3.19Å |
| 114 | D | 35.7 | Very low | 37.5 | Very low | 106 Ų | 106 | 103.5 Ų | 103.5 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.7 | -36.5 | 179.8 | -61.8 | -28.3 | 0 | 0 | 0 | 112.7 | P110 G118 | P110-D114 PolarHBondContact O-N 2.68Å; D114-G118 PolarHBondContact O-N 2.98Å |
| 115 | V | 36.6 | Very low | 38.2 | Very low | 90 Ų | 90 | 101.3 Ų | 101.3 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.5 | -38.2 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | K111 A113 L119 | K111-V115 VanDerWaalsContact O-CG2 3.26Å; K111-V115 WeakPolarHBondContact O-CG2 3.33Å; K111-V115 PolarHBondContact O-N 3.36Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-V115 PolarHBondContact O-N 3.2Å; V115-L119 HydrophobicContact CG1-CD1 3.92Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 WeakPolarHBondContact O-CD1 3.4Å; V115-L119 PolarHBondContact O-N 2.98Å |
| 116 | V | 39 | Very low | 38.8 | Very low | 72 Ų | 72 | 92.6 Ų | 92.6 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | T112 A113 L119 I120 | T112-V116 VanDerWaalsContact O-CG2 3.22Å; T112-V116 WeakPolarHBondContact O-CG2 3.41Å; T112-V116 PolarHBondContact O-N 3.41Å; A113-V116 PolarHBondContact O-N 3.33Å; V116-L119 PolarHBondContact O-N 3.11Å; V116-I120 HydrophobicContact CG1-CD1 3.53Å; V116-I120 HydrophobicContact CG1-CG1 4.39Å; V116-I120 VanDerWaalsContact O-CB 3.27Å; V116-I120 WeakPolarHBondContact O-CB 3.34Å; V116-I120 WeakPolarHBondContact O-CD1 3.39Å; V116-I120 WeakPolarHBondContact O-CG1 3.33Å; V116-I120 PolarHBondContact O-N 3.49Å |
| 117 | E | 40.4 | Very low | 39.6 | Very low | 97 Ų | 97 | 88.1 Ų | 88.1 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 174.6 | -169.8 | 174.8 | 179 | 0 | 0 | 111.9 | A113 I120 R121 | A113-E117 WeakPolarHBondContact O-CB 3.38Å; A113-E117 PolarHBondContact O-N 3.19Å; E117-I120 PolarHBondContact O-N 3.49Å; E117-R121 WeakPolarHBondContact O-CG 3.11Å; E117-R121 PolarHBondContact O-N 3.02Å; E117-R121 IonicContact OE1-CZ 2.69Å; E117-R121 IonicContact OE1-NE 2.67Å; E117-R121 PolarHBondContact OE1-NE 3.23Å; E117-R121 IonicContact OE1-NH2 3.33Å; E117-R121 PolarHBondContact OE1-NH2 2.92Å |
| 118 | G | 36.3 | Very low | 40.3 | Very low | 42 Ų | 42 | 84.4 Ų | 84.4 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D114 L122 | D114-G118 PolarHBondContact O-N 2.98Å; G118-L122 PolarHBondContact O-N 3.14Å |
| 119 | L | 33.8 | Very low | 40.9 | Very low | 68 Ų | 68 | 86.7 Ų | 86.7 | 36% | 0.356 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 175.6 | -105.3 | 97.4 | 0 | 0 | 0 | 112.4 | V115 V116 E123 N159 | V115-L119 HydrophobicContact CG1-CD1 3.92Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 WeakPolarHBondContact O-CD1 3.4Å; V115-L119 PolarHBondContact O-N 2.98Å; V116-L119 PolarHBondContact O-N 3.11Å; L119-E123 PolarHBondContact O-N 3.25Å; L119-N159 HydrophobicContact CD2-CB 3.99Å; L119-N159 WeakPolarHBondContact CD2-O 3.46Å |
| 120 | I | 43 | Very low | 41.2 | Very low | 49 Ų | 49 | 87.5 Ų | 87.5 | 25% | 0.251 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.2 | -37.7 | -178.8 | -72.9 | 170.8 | 0 | 0 | 0 | 111.2 | I8 V116 E117 A124 | I8-I120 HydrophobicContact CB-CG2 3.88Å; I8-I120 HydrophobicContact CD1-CG2 3.56Å; I8-I120 HydrophobicContact CG1-CG2 4.29Å; I8-I120 HydrophobicContact CG2-CG2 3.52Å; V116-I120 HydrophobicContact CG1-CD1 3.53Å; V116-I120 HydrophobicContact CG1-CG1 4.39Å; V116-I120 VanDerWaalsContact O-CB 3.27Å; V116-I120 WeakPolarHBondContact O-CB 3.34Å; V116-I120 WeakPolarHBondContact O-CD1 3.39Å; V116-I120 WeakPolarHBondContact O-CG1 3.33Å; V116-I120 PolarHBondContact O-N 3.49Å; E117-I120 PolarHBondContact O-N 3.49Å; I120-A124 WeakPolarHBondContact O-CB 3.44Å; I120-A124 PolarHBondContact O-N 3.04Å |
| 121 | R | 43.6 | Very low | 41.2 | Very low | 164 Ų | 164 | 83.6 Ų | 83.6 | 62% | 0.619 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.6 | -42.2 | 175.8 | -74.7 | -178.4 | -176.3 | -167 | 3.9 | 112.7 | E117 E123 A124 D125 | E117-R121 WeakPolarHBondContact O-CG 3.11Å; E117-R121 PolarHBondContact O-N 3.02Å; E117-R121 IonicContact OE1-CZ 2.69Å; E117-R121 IonicContact OE1-NE 2.67Å; E117-R121 PolarHBondContact OE1-NE 3.23Å; E117-R121 IonicContact OE1-NH2 3.33Å; E117-R121 PolarHBondContact OE1-NH2 2.92Å; R121-E123 VanDerWaalsContact C-N 3.28Å; R121-E123 PolarHBondContact O-N 3.07Å; R121-A124 PolarHBondContact O-N 2.85Å; R121-D125 PolarHBondContact O-N 3.34Å |
| 122 | L | 38.5 | Very low | 41.3 | Very low | 123 Ų | 123 | 78.7 Ų | 78.7 | 64% | 0.644 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.5 | -36.8 | 179.3 | -158.5 | 84.2 | 0 | 0 | 0 | 111.8 | G118 | G118-L122 PolarHBondContact O-N 3.14Å |
| 123 | E | 49.7 | Very low | 41.3 | Very low | 61 Ų | 61 | 81.4 Ų | 81.4 | 29% | 0.285 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -83.9 | -25 | -178.3 | -144 | 62.8 | -118.8 | 0 | 0 | 113 | L119 R121 D125 N126 F127 | L119-E123 PolarHBondContact O-N 3.25Å; R121-E123 VanDerWaalsContact C-N 3.28Å; R121-E123 PolarHBondContact O-N 3.07Å; E123-D125 VanDerWaalsContact C-N 3.33Å; E123-D125 PolarHBondContact O-N 2.82Å; E123-N126 PolarHBondContact O-N 3.37Å; E123-N126 PolarHBondContact OE1-ND2 2.96Å; E123-N126 VanDerWaalsContact OE1-ND2 3.1Å; E123-F127 WeakPolarHBondContact O-CB 3.41Å; E123-F127 PolarHBondContact O-N 2.47Å |
| 124 | A | 46.8 | Very low | 41.4 | Very low | 21 Ų | 21 | 81.1 Ų | 81.1 | 17% | 0.174 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I8 I120 R121 N126 F127 L128 | I8-A124 HydrophobicContact CD1-CB 3.61Å; I120-A124 WeakPolarHBondContact O-CB 3.44Å; I120-A124 PolarHBondContact O-N 3.04Å; R121-A124 PolarHBondContact O-N 2.85Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 2.74Å; A124-F127 PolarHBondContact O-N 2.86Å; A124-L128 WeakPolarHBondContact O-CB 3.14Å; A124-L128 WeakPolarHBondContact O-CD1 3.43Å; A124-L128 PolarHBondContact O-N 3.23Å |
| 125 | D | 43.5 | Very low | 41.5 | Very low | 102 Ų | 102 | 82.2 Ų | 82.2 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 176.5 | -75.3 | -16.9 | 0 | 0 | 0 | 112.2 | R121 E123 K129 | R121-D125 PolarHBondContact O-N 3.34Å; E123-D125 VanDerWaalsContact C-N 3.33Å; E123-D125 PolarHBondContact O-N 2.82Å; D125-K129 WeakPolarHBondContact O-CG 3.34Å; D125-K129 PolarHBondContact O-N 2.95Å; D125-K129 VanDerWaalsContact O-N 3.11Å |
| 126 | N | 46.2 | Very low | 41.4 | Very low | 67 Ų | 67 | 80.9 Ų | 80.9 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.2 | -39 | 173.7 | -75.1 | -22.5 | 0 | 0 | 0 | 112.2 | E123 A124 L128 K129 C130 | E123-N126 PolarHBondContact O-N 3.37Å; E123-N126 PolarHBondContact OE1-ND2 2.96Å; E123-N126 VanDerWaalsContact OE1-ND2 3.1Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 2.74Å; N126-L128 VanDerWaalsContact C-N 3.33Å; N126-K129 PolarHBondContact O-N 3.32Å; N126-C130 PolarHBondContact O-N 3.49Å; N126-C130 PolarHBondContact O-SG 3.44Å |
| 127 | F | 45 | Very low | 41 | Very low | 69 Ų | 69 | 82.8 Ų | 82.8 | 30% | 0.303 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 174.4 | -175.2 | -96.4 | 0 | 0 | 0 | 111.2 | E123 A124 C130 S131 I156 | E123-F127 WeakPolarHBondContact O-CB 3.41Å; E123-F127 PolarHBondContact O-N 2.47Å; A124-F127 PolarHBondContact O-N 2.86Å; F127-C130 PolarHBondContact O-N 2.93Å; F127-S131 VanDerWaalsContact O-CB 3.31Å; F127-S131 WeakPolarHBondContact O-CB 3.49Å; F127-S131 PolarHBondContact O-N 3.45Å; F127-S131 PolarHBondContact O-OG 3.11Å; F127-I156 HydrophobicContact CD2-CD1 4.43Å; F127-I156 HydrophobicContact CD2-CG1 4.27Å; F127-I156 HydrophobicContact CE2-CD1 3.91Å; F127-I156 HydrophobicContact CE2-CG1 3.91Å |
| 128 | L | 45.9 | Very low | 40.5 | Very low | 56 Ų | 56 | 84.8 Ų | 84.8 | 29% | 0.293 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 173.6 | -85.4 | 150.4 | 0 | 0 | 0 | 111.9 | V3 A124 N126 C130 S131 S132 | V3-L128 HydrophobicContact CB-CD2 3.77Å; V3-L128 HydrophobicContact CG1-CD2 4.14Å; V3-L128 HydrophobicContact CG2-CD2 4.19Å; A124-L128 WeakPolarHBondContact O-CB 3.14Å; A124-L128 WeakPolarHBondContact O-CD1 3.43Å; A124-L128 PolarHBondContact O-N 3.23Å; N126-L128 VanDerWaalsContact C-N 3.33Å; L128-C130 PolarHBondContact O-N 3.23Å; L128-S131 PolarHBondContact O-N 3.3Å; L128-S131 PolarHBondContact O-OG 3.29Å; L128-S132 PolarHBondContact O-N 3.29Å |
| 129 | K | 47.3 | Very low | 40.2 | Very low | 148 Ų | 148 | 87.8 Ų | 87.8 | 64% | 0.643 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 174.4 | -76.8 | 174.4 | -177.7 | 172.5 | 0 | 112.7 | D125 N126 S132 | D125-K129 WeakPolarHBondContact O-CG 3.34Å; D125-K129 PolarHBondContact O-N 2.95Å; D125-K129 VanDerWaalsContact O-N 3.11Å; N126-K129 PolarHBondContact O-N 3.32Å; K129-S132 PolarHBondContact O-OG 2.7Å |
| 130 | C | 41 | Very low | 39.9 | Very low | 83 Ų | 83 | 92.2 Ų | 92.2 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.9 | -28.2 | 177.9 | -71.4 | 0 | 0 | 0 | 0 | 113.4 | N126 F127 L128 S132 N133 | N126-C130 PolarHBondContact O-N 3.49Å; N126-C130 PolarHBondContact O-SG 3.44Å; F127-C130 PolarHBondContact O-N 2.93Å; L128-C130 PolarHBondContact O-N 3.23Å; C130-S132 VanDerWaalsContact C-N 3.31Å; C130-S132 PolarHBondContact O-N 3.48Å; C130-N133 PolarHBondContact O-N 2.93Å |
| 131 | S | 40.5 | Very low | 39.1 | Very low | 24 Ų | 24 | 95.2 Ų | 95.2 | 17% | 0.168 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -69.6 | -26.2 | -179.7 | 73 | 0 | 0 | 0 | 0 | 113.6 | F127 L128 N133 L134 F135 | F127-S131 VanDerWaalsContact O-CB 3.31Å; F127-S131 WeakPolarHBondContact O-CB 3.49Å; F127-S131 PolarHBondContact O-N 3.45Å; F127-S131 PolarHBondContact O-OG 3.11Å; L128-S131 PolarHBondContact O-N 3.3Å; L128-S131 PolarHBondContact O-OG 3.29Å; S131-N133 VanDerWaalsContact C-N 3.26Å; S131-N133 PolarHBondContact O-N 2.74Å; S131-L134 WeakPolarHBondContact O-CB 3.46Å; S131-L134 PolarHBondContact O-N 3.49Å; S131-F135 WeakPolarHBondContact O-CD2 3.43Å; S131-F135 PolarHBondContact O-N 2.99Å |
| 132 | S | 37.4 | Very low | 38.4 | Very low | 63 Ų | 63 | 97.9 Ų | 97.9 | 44% | 0.441 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58 | -37.6 | 175 | 66 | 0 | 0 | 0 | 0 | 112.7 | L128 K129 C130 L134 | L128-S132 PolarHBondContact O-N 3.29Å; K129-S132 PolarHBondContact O-OG 2.7Å; C130-S132 VanDerWaalsContact C-N 3.31Å; C130-S132 PolarHBondContact O-N 3.48Å; S132-L134 VanDerWaalsContact C-N 3.33Å; S132-L134 PolarHBondContact O-N 3.41Å |
| 133 | N | 39.7 | Very low | 38 | Very low | 141 Ų | 141 | 97.8 Ų | 97.8 | 75% | 0.754 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -75.6 | -19.5 | 174.8 | -71.9 | -32.1 | 0 | 0 | 0 | 113.5 | C130 S131 | C130-N133 PolarHBondContact O-N 2.93Å; S131-N133 VanDerWaalsContact C-N 3.26Å; S131-N133 PolarHBondContact O-N 2.74Å |
| 134 | L | 39.6 | Very low | 37.1 | Very low | 57 Ų | 57 | 101.8 Ų | 101.8 | 30% | 0.298 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -87.6 | -24.5 | -171.8 | -134 | 132.3 | 0 | 0 | 0 | 112.7 | S131 S132 I154 | S131-L134 WeakPolarHBondContact O-CB 3.46Å; S131-L134 PolarHBondContact O-N 3.49Å; S132-L134 VanDerWaalsContact C-N 3.33Å; S132-L134 PolarHBondContact O-N 3.41Å; L134-I154 HydrophobicContact CD1-CD1 4.34Å; L134-I154 HydrophobicContact CD1-CG1 4.16Å; L134-I154 HydrophobicContact CD1-CG2 4.12Å; L134-I154 HydrophobicContact CD2-CD1 3.53Å; L134-I154 HydrophobicContact CD2-CG1 3.79Å |
| 135 | F | 38.7 | Very low | 36.5 | Very low | 130 Ų | 130 | 105.8 Ų | 105.8 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 5.1 | 177.1 | -65.3 | -72 | 0 | 0 | 0 | 114.4 | S131 L137 | S131-F135 WeakPolarHBondContact O-CD2 3.43Å; S131-F135 PolarHBondContact O-N 2.99Å; F135-L137 PolarHBondContact O-N 2.69Å |
| 136 | G | 32.6 | Very low | 36.1 | Very low | 62 Ų | 62 | 108.1 Ų | 108.1 | 64% | 0.639 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.5 | 41.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D138 | G136-D138 VanDerWaalsContact C-N 3.33Å; G136-D138 PolarHBondContact O-N 3.4Å |
| 137 | L | 31.8 | Very low | 36 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 58% | 0.581 | 61% | 0.613 | S | S | * | * | trans | -95.1 | 67.7 | 173.3 | -63.3 | 177.3 | 0 | 0 | 0 | 109.6 | F135 | F135-L137 PolarHBondContact O-N 2.69Š| ||
| 138 | D | 28.9 | Very low | 36.2 | Very low | 139 Ų | 139 | 111.2 Ų | 111.2 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | trans | -134.5 | 126.5 | 153.9 | -123.8 | -10.2 | 0 | 0 | 0 | 107.6 | G136 I140 | G136-D138 VanDerWaalsContact C-N 3.33Å; G136-D138 PolarHBondContact O-N 3.4Å; D138-I140 PolarHBondContact O-N 3.1Å | ||
| 139 | P | 30.7 | Very low | 36.2 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 69% | 0.688 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -72.9 | 130.5 | 174.4 | 31.3 | -28 | 0 | 0 | 0 | 107.1 | ||
| 140 | I | 27 | Very low | 36.6 | Very low | 161 Ų | 161 | 109.9 Ų | 109.9 | 83% | 0.826 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 87.1 | 78.3 | 173.9 | -43.2 | 151.3 | 0 | 0 | 0 | 113.5 | D138 | D138-I140 PolarHBondContact O-N 3.1Š|
| 141 | S | 26.8 | Very low | 37.2 | Very low | 112 Ų | 112 | 111.7 Ų | 111.7 | 78% | 0.783 | 64% | 0.642 | S | S | * | * | 175.6 | 114.7 | 119.8 | -74.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 142 | R | 28.8 | Very low | 38.3 | Very low | 219 Ų | 219 | 116.3 Ų | 116.3 | 83% | 0.826 | 66% | 0.659 | S | S | * | * | trans | -64.8 | 155.7 | 169.9 | -77.3 | -179.2 | 179.3 | -167.2 | -1 | 110.5 | ||||
| 143 | P | 30 | Very low | 39.3 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | -127.2 | 141 | 113.2 | 32.6 | -23.4 | 0 | 0 | 0 | 112.5 | S145 | P143-S145 PolarHBondContact O-N 2.96Š| |||
| 144 | L | 30.3 | Very low | 40.3 | Very low | 144 Ų | 144 | 115.1 Ų | 115.1 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | trans | -58.9 | 116.6 | 164 | -87.8 | 69.7 | 0 | 0 | 0 | 108.5 | ||||
| 145 | S | 36.1 | Very low | 41.5 | Very low | 106 Ų | 106 | 118.3 Ų | 118.3 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | trans | -133.4 | 114.8 | 148.8 | 77.2 | 0 | 0 | 0 | 0 | 109.6 | P143 S147 | P143-S145 PolarHBondContact O-N 2.96Å; S145-S147 VanDerWaalsContact C-N 3.35Å; S145-S147 PolarHBondContact O-N 3.46Å | ||
| 146 | T | 35.1 | Very low | 43 | Very low | 150 Ų | 150 | 113.5 Ų | 113.5 | 92% | 0.92 | 63% | 0.628 | S | S | * | * | trans | -76.7 | 87.1 | 166.3 | 48 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 147 | S | 43.5 | Very low | 44.4 | Very low | 78 Ų | 78 | 114.4 Ų | 114.4 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | trans | -140.6 | 122.5 | 168.1 | -175.1 | 0 | 0 | 0 | 0 | 109 | S145 D149 | S145-S147 VanDerWaalsContact C-N 3.35Å; S145-S147 PolarHBondContact O-N 3.46Å; S147-D149 PolarHBondContact O-N 3.17Å | ||
| 148 | S | 48.3 | Very low | 45.7 | Very low | 123 Ų | 123 | 112 Ų | 112 | 86% | 0.86 | 60% | 0.603 | S | S | * | * | trans | -76.9 | 33.2 | -174.6 | 61.1 | 0 | 0 | 0 | 0 | 113.8 | S150 | S148-S150 PolarHBondContact O-N 3.44Š| ||
| 149 | D | 45.7 | Very low | 46.8 | Very low | 125 Ų | 125 | 108.3 Ų | 108.3 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | trans | -91.2 | 93.4 | 177.6 | -83.6 | -37.6 | 0 | 0 | 0 | 109.9 | S147 K151 | S147-D149 PolarHBondContact O-N 3.17Å; D149-K151 PolarHBondContact O-N 3.2Å; D149-K151 VanDerWaalsContact O-N 3.12Å | ||
| 150 | S | 56.3 | Low | 48 | Very low | 52 Ų | 52 | 107.5 Ų | 107.5 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | trans | -67.6 | 0.5 | 172.4 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | S148 E172 V173 | S148-S150 PolarHBondContact O-N 3.44Å; S150-E172 WeakPolarHBondContact O-CA 3.42Å; S150-V173 PolarHBondContact O-N 3.32Å | ||
| 151 | K | 54.3 | Low | 49.4 | Very low | 121 Ų | 121 | 105 Ų | 105 | 53% | 0.526 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 107.2 | -176.2 | -64.8 | -178.5 | -178.9 | 179.6 | 0 | 110.1 | D149 E172 | D149-K151 PolarHBondContact O-N 3.2Å; D149-K151 VanDerWaalsContact O-N 3.12Å; K151-E172 WeakPolarHBondContact CE-OE2 3.31Å; K151-E172 HydrophobicContact CG-CB 4.31Å; K151-E172 HydrophobicContact CG-CG 4.1Å |
| 152 | K | 62.7 | Low | 51.1 | Low | 121 Ų | 121 | 103 Ų | 103 | 53% | 0.526 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.4 | 169.2 | -68.6 | -172 | 177.8 | -176.3 | 0 | 108.8 | V171 | K152-V171 PolarHBondContact N-O 2.87Å; K152-V171 PolarHBondContact O-N 2.86Å |
| 153 | R | 57.6 | Low | 51.9 | Low | 146 Ų | 146 | 99.4 Ų | 99.4 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.8 | 174 | -161.8 | -177.4 | -79.9 | 172.4 | -2.8 | 109 | F155 L169 E170 | R153-F155 HydrophobicContact CG-CE2 4.49Å; R153-F155 HydrophobicContact CG-CZ 4.36Å; R153-L169 CarbonylContact C-O 3.59Å; R153-L169 VanDerWaalsContact CA-O 3.28Å; R153-L169 WeakPolarHBondContact CA-O 3.33Å; R153-L169 WeakPolarHBondContact CG-O 3.36Å; R153-E170 HydrophobicContact CB-CG 4.38Å; R153-E170 HydrophobicContact CG-CG 3.88Å; R153-E170 IonicContact CZ-OE1 3.01Å; R153-E170 IonicContact NE-OE1 3.83Å; R153-E170 PolarHBondContact NE-OE1 2.97Å; R153-E170 IonicContact NH2-OE1 3.99Å; R153-E170 PolarHBondContact NH2-OE1 2.92Å |
| 154 | I | 61.1 | Low | 53.5 | Low | 32 Ų | 32 | 100.6 Ų | 100.6 | 16% | 0.164 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 145.7 | 174.8 | -51.6 | 178.2 | 0 | 0 | 0 | 107.4 | L134 L169 V171 | L134-I154 HydrophobicContact CD1-CD1 4.34Å; L134-I154 HydrophobicContact CD1-CG1 4.16Å; L134-I154 HydrophobicContact CD1-CG2 4.12Å; L134-I154 HydrophobicContact CD2-CD1 3.53Å; L134-I154 HydrophobicContact CD2-CG1 3.79Å; I154-L169 PolarHBondContact N-O 3.39Å; I154-L169 PolarHBondContact O-N 3.41Å; I154-L169 VanDerWaalsContact O-O 3.12Å; I154-V171 HydrophobicContact CD1-CB 4.48Å; I154-V171 HydrophobicContact CD1-CG2 3.74Å; I154-V171 HydrophobicContact CG1-CG2 4.2Å |
| 155 | F | 65.7 | Low | 54.6 | Low | 124 Ų | 124 | 96.6 Ų | 96.6 | 54% | 0.544 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.6 | 172.1 | -62.6 | -91.6 | 0 | 0 | 0 | 108.2 | R153 V166 P168 | R153-F155 HydrophobicContact CG-CE2 4.49Å; R153-F155 HydrophobicContact CG-CZ 4.36Å; F155-V166 HydrophobicContact CB-CG1 3.77Å; F155-V166 HydrophobicContact CD1-CG1 3.83Å; F155-V166 HydrophobicContact CG-CG1 4.22Å; F155-P168 HydrophobicContact CD1-CB 3.78Å; F155-P168 HydrophobicContact CE1-CB 3.68Å |
| 156 | I | 70.5 | Confident | 56 | Low | 30 Ų | 30 | 95.2 Ų | 95.2 | 15% | 0.154 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.8 | 171.6 | -61.2 | -178.3 | 0 | 0 | 0 | 107.5 | F127 L158 V166 V167 L169 | F127-I156 HydrophobicContact CD2-CD1 4.43Å; F127-I156 HydrophobicContact CD2-CG1 4.27Å; F127-I156 HydrophobicContact CE2-CD1 3.91Å; F127-I156 HydrophobicContact CE2-CG1 3.91Å; I156-L158 HydrophobicContact CG2-CD2 3.67Å; I156-L158 HydrophobicContact CG2-CG 4.01Å; I156-V166 CarbonylContact O-C 3.46Å; I156-V166 WeakPolarHBondContact O-CA 3.35Å; I156-V167 PolarHBondContact N-O 3.39Å; I156-V167 PolarHBondContact O-N 2.98Å; I156-L169 HydrophobicContact CD1-CD1 3.22Å; I156-L169 HydrophobicContact CG1-CD1 3.72Å |
| 157 | E | 61.3 | Low | 57.3 | Low | 81 Ų | 81 | 89.9 Ų | 89.9 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119 | 170.9 | -168.7 | 175.1 | 163.1 | 0 | 0 | 108.8 | K164 V166 | E157-K164 HydrophobicContact CG-CB 4.49Å; E157-K164 WeakPolarHBondContact OE1-CD 3.37Å; E157-K164 WeakPolarHBondContact OE1-CE 3.26Å; E157-K164 VanDerWaalsContact OE1-CG 3.23Å; E157-K164 WeakPolarHBondContact OE1-CG 3.29Å; E157-K164 IonicContact OE1-NZ 2.62Å; E157-K164 PolarHBondContact OE1-NZ 3.39Å; E157-V166 HydrophobicContact CB-CG2 4.4Å; E157-V166 HydrophobicContact CG-CG2 4.11Å |
| 158 | L | 59.4 | Low | 58.1 | Low | 59 Ų | 59 | 88.4 Ų | 88.4 | 31% | 0.309 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.6 | 175.7 | -60.6 | 176.2 | 0 | 0 | 0 | 108.3 | I156 V160 V165 V167 | I156-L158 HydrophobicContact CG2-CD2 3.67Å; I156-L158 HydrophobicContact CG2-CG 4.01Å; L158-V160 HydrophobicContact CB-CG2 4.23Å; L158-V165 PolarHBondContact N-O 2.93Å; L158-V165 PolarHBondContact O-N 3.5Å; L158-V167 HydrophobicContact CD1-CG2 4.03Å |
| 159 | N | 52 | Low | 58.6 | Low | 63 Ų | 63 | 83.2 Ų | 83.2 | 34% | 0.337 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 114.5 | 167.6 | -166.5 | -14.5 | 0 | 0 | 0 | 108.5 | L119 G162 Q163 | L119-N159 HydrophobicContact CD2-CB 3.99Å; L119-N159 WeakPolarHBondContact CD2-O 3.46Å; N159-G162 WeakPolarHBondContact OD1-CA 3.38Å; N159-G162 PolarHBondContact OD1-N 2.87Å; N159-G162 VanDerWaalsContact OD1-N 3.17Å; N159-Q163 PolarHBondContact OD1-N 2.89Å |
| 160 | V | 56.3 | Low | 58.9 | Low | 89 Ų | 89 | 80.6 Ų | 80.6 | 54% | 0.539 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 113.3 | 178.6 | -175 | 0 | 0 | 0 | 0 | 108 | L158 G162 Q163 | L158-V160 HydrophobicContact CB-CG2 4.23Å; V160-G162 PolarHBondContact O-N 2.76Å; V160-Q163 PolarHBondContact N-O 3.12Å; V160-Q163 PolarHBondContact O-N 2.79Å |
| 161 | A | 56.1 | Low | 58.7 | Low | 109 Ų | 109 | 79.6 Ų | 79.6 | 90% | 0.901 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 37 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q163 | A161-Q163 VanDerWaalsContact C-N 3.3Š|
| 162 | G | 61.5 | Low | 58.4 | Low | 68 Ų | 68 | 78.5 Ų | 78.5 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -1.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N159 V160 | N159-G162 WeakPolarHBondContact OD1-CA 3.38Å; N159-G162 PolarHBondContact OD1-N 2.87Å; N159-G162 VanDerWaalsContact OD1-N 3.17Å; V160-G162 PolarHBondContact O-N 2.76Å |
| 163 | Q | 45.4 | Very low | 57.6 | Low | 145 Ų | 145 | 76.1 Ų | 76.1 | 68% | 0.678 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.7 | 175.3 | -164.5 | 166.5 | 43.6 | 0 | 0 | 110.6 | N159 V160 A161 V165 | N159-Q163 PolarHBondContact OD1-N 2.89Å; V160-Q163 PolarHBondContact N-O 3.12Å; V160-Q163 PolarHBondContact O-N 2.79Å; A161-Q163 VanDerWaalsContact C-N 3.3Å; Q163-V165 PolarHBondContact O-N 3.15Å |
| 164 | K | 64.4 | Low | 56.9 | Low | 146 Ų | 146 | 74 Ų | 74 | 64% | 0.635 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 120.5 | 173.9 | -72.5 | 169.1 | 163.5 | -120.2 | 0 | 109.9 | E157 | E157-K164 HydrophobicContact CG-CB 4.49Å; E157-K164 WeakPolarHBondContact OE1-CD 3.37Å; E157-K164 WeakPolarHBondContact OE1-CE 3.26Å; E157-K164 VanDerWaalsContact OE1-CG 3.23Å; E157-K164 WeakPolarHBondContact OE1-CG 3.29Å; E157-K164 IonicContact OE1-NZ 2.62Å; E157-K164 PolarHBondContact OE1-NZ 3.39Å |
| 165 | V | 53.1 | Low | 56.1 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 113.7 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | L158 Q163 V167 | L158-V165 PolarHBondContact N-O 2.93Å; L158-V165 PolarHBondContact O-N 3.5Å; Q163-V165 PolarHBondContact O-N 3.15Å; V165-V167 HydrophobicContact CG1-CG2 4.22Å |
| 166 | V | 65.1 | Low | 54.8 | Low | 78 Ų | 78 | 78.4 Ų | 78.4 | 47% | 0.473 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.5 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | F155 I156 E157 P168 | F155-V166 HydrophobicContact CB-CG1 3.77Å; F155-V166 HydrophobicContact CD1-CG1 3.83Å; F155-V166 HydrophobicContact CG-CG1 4.22Å; I156-V166 CarbonylContact O-C 3.46Å; I156-V166 WeakPolarHBondContact O-CA 3.35Å; E157-V166 HydrophobicContact CB-CG2 4.4Å; E157-V166 HydrophobicContact CG-CG2 4.11Å; V166-P168 WeakPolarHBondContact O-CD 3.45Å |
| 167 | V | 63.5 | Low | 53.4 | Low | 38 Ų | 38 | 81.4 Ų | 81.4 | 23% | 0.23 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110.4 | 177.6 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | I156 L158 V165 | I156-V167 PolarHBondContact N-O 3.39Å; I156-V167 PolarHBondContact O-N 2.98Å; L158-V167 HydrophobicContact CD1-CG2 4.03Å; V165-V167 HydrophobicContact CG1-CG2 4.22Å |
| 168 | P | 59.2 | Low | 52.4 | Low | 47 Ų | 47 | 82.6 Ų | 82.6 | 31% | 0.305 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 129.3 | 170.8 | 28.5 | -31.4 | 0 | 0 | 0 | 110.3 | F155 V166 | F155-P168 HydrophobicContact CD1-CB 3.78Å; F155-P168 HydrophobicContact CE1-CB 3.68Å; V166-P168 WeakPolarHBondContact O-CD 3.45Å |
| 169 | L | 59.3 | Low | 51.3 | Low | 13 Ų | 13 | 87.6 Ų | 87.6 | 7% | 0.068 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.1 | 172.7 | -82.9 | 155.4 | 0 | 0 | 0 | 108.7 | L37 L70 R153 I154 I156 | L37-L169 HydrophobicContact CD2-CD2 4.24Å; L70-L169 HydrophobicContact CB-CD2 4.43Å; L70-L169 HydrophobicContact CD2-CD2 3.55Å; R153-L169 CarbonylContact C-O 3.59Å; R153-L169 VanDerWaalsContact CA-O 3.28Å; R153-L169 WeakPolarHBondContact CA-O 3.33Å; R153-L169 WeakPolarHBondContact CG-O 3.36Å; I154-L169 PolarHBondContact N-O 3.39Å; I154-L169 PolarHBondContact O-N 3.41Å; I154-L169 VanDerWaalsContact O-O 3.12Å; I156-L169 HydrophobicContact CD1-CD1 3.22Å; I156-L169 HydrophobicContact CG1-CD1 3.72Å |
| 170 | E | 51.8 | Low | 50.7 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 33% | 0.327 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 119.6 | 168 | -70.1 | -176.8 | 173.6 | 0 | 0 | 108.9 | R153 | R153-E170 HydrophobicContact CB-CG 4.38Å; R153-E170 HydrophobicContact CG-CG 3.88Å; R153-E170 IonicContact CZ-OE1 3.01Å; R153-E170 IonicContact NE-OE1 3.83Å; R153-E170 PolarHBondContact NE-OE1 2.97Å; R153-E170 IonicContact NH2-OE1 3.99Å; R153-E170 PolarHBondContact NH2-OE1 2.92Å |
| 171 | V | 53.2 | Low | 49.9 | Very low | 31 Ų | 31 | 95.9 Ų | 95.9 | 19% | 0.188 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 111.7 | 175 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | K152 I154 V173 | K152-V171 PolarHBondContact N-O 2.87Å; K152-V171 PolarHBondContact O-N 2.86Å; I154-V171 HydrophobicContact CD1-CB 4.48Å; I154-V171 HydrophobicContact CD1-CG2 3.74Å; I154-V171 HydrophobicContact CG1-CG2 4.2Å; V171-V173 HydrophobicContact CG1-CG2 4.24Å |
| 172 | E | 47.5 | Very low | 49 | Very low | 98 Ų | 98 | 94.6 Ų | 94.6 | 46% | 0.458 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 111.3 | 171.4 | -171.2 | 165.3 | -173.4 | 0 | 0 | 108.4 | S150 K151 L174 | S150-E172 WeakPolarHBondContact O-CA 3.42Å; K151-E172 WeakPolarHBondContact CE-OE2 3.31Å; K151-E172 HydrophobicContact CG-CB 4.31Å; K151-E172 HydrophobicContact CG-CG 4.1Å; E172-L174 HydrophobicContact CG-CD2 4.44Å; E172-L174 PolarHBondContact O-N 3.31Å |
| 173 | V | 46.2 | Very low | 48 | Very low | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.436 | 56% | 0.557 | S | S | . | * | trans | -89.7 | 99.1 | 177 | -177 | 0 | 0 | 0 | 0 | 107.4 | S150 V171 N175 | S150-V173 PolarHBondContact O-N 3.32Å; V171-V173 HydrophobicContact CG1-CG2 4.24Å; V173-N175 PolarHBondContact O-N 2.85Å; V173-N175 VanDerWaalsContact O-N 3.15Å | ||
| 174 | L | 42.6 | Very low | 48 | Very low | 102 Ų | 102 | 97 Ų | 97 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | trans | -76.2 | 98.7 | 173.3 | -68.4 | 169 | 0 | 0 | 0 | 108.8 | E172 S176 | E172-L174 HydrophobicContact CG-CD2 4.44Å; E172-L174 PolarHBondContact O-N 3.31Å; L174-S176 PolarHBondContact O-N 3.47Å | ||
| 175 | N | 44.5 | Very low | 46.6 | Very low | 134 Ų | 134 | 98.5 Ų | 98.5 | 72% | 0.717 | 57% | 0.573 | S | S | * | * | trans | -61.7 | 120.1 | 172.8 | -76.6 | -18.9 | 0 | 0 | 0 | 109.6 | V173 S177 | V173-N175 PolarHBondContact O-N 2.85Å; V173-N175 VanDerWaalsContact O-N 3.15Å; N175-S177 VanDerWaalsContact C-N 3.32Å; N175-S177 PolarHBondContact O-N 3.26Å | ||
| 176 | S | 38.4 | Very low | 46 | Very low | 113 Ų | 113 | 103.9 Ų | 103.9 | 79% | 0.79 | 60% | 0.599 | S | S | * | * | trans | -89.1 | 63.3 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | L174 | L174-S176 PolarHBondContact O-N 3.47Š| ||
| 177 | S | 40.2 | Very low | 44.4 | Very low | 93 Ų | 93 | 105 Ų | 105 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | trans | -158.7 | 140.1 | 175.3 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | N175 | N175-S177 VanDerWaalsContact C-N 3.32Å; N175-S177 PolarHBondContact O-N 3.26Å | ||
| 178 | S | 40.1 | Very low | 42.9 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | trans | 82.1 | 75.5 | 170.2 | 79.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 179 | D | 36 | Very low | 42.1 | Very low | 165 Ų | 165 | 114 Ų | 114 | 88% | 0.882 | 66% | 0.66 | S | S | * | * | trans | -161.3 | 73 | 131.6 | -92.9 | -22.3 | 0 | 0 | 0 | 108.8 | ||||
| 180 | I | 40.3 | Very low | 41 | Very low | 169 Ų | 169 | 120 Ų | 120 | 87% | 0.867 | 69% | 0.693 | S | S | * | * | trans | -118.4 | 101.6 | 163.9 | -62.3 | 174.3 | 0 | 0 | 0 | 105.8 | ||||
| 181 | N | 39.3 | Very low | 40.3 | Very low | 156 Ų | 156 | 122 Ų | 122 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 137.4 | 166.4 | -82.5 | -27.6 | 0 | 0 | 0 | 109.5 | ||
| 182 | A | 38.3 | Very low | 39.3 | Very low | 83 Ų | 83 | 123.9 Ų | 123.9 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 153 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V184 | A182-V184 PolarHBondContact O-N 3.49Š|
| 183 | P | 39.8 | Very low | 39.2 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -76 | 119.2 | -179.6 | 31.6 | -30.5 | 0 | 0 | 0 | 109.7 | ||
| 184 | V | 44.9 | Very low | 38.8 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 124.8 | 166.5 | 169.4 | 0 | 0 | 0 | 0 | 108.3 | A182 L186 | A182-V184 PolarHBondContact O-N 3.49Å; V184-L186 PolarHBondContact O-N 3.46Å |
| 185 | E | 34.4 | Very low | 38.5 | Very low | 176 Ų | 176 | 128.7 Ų | 128.7 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 127 | 171.7 | -58.9 | -176.6 | 145.6 | 0 | 0 | 111.9 | ||
| 186 | L | 41.1 | Very low | 37.8 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -133.8 | 97.1 | 152.8 | -74.6 | 177.6 | 0 | 0 | 0 | 108.5 | V184 | V184-L186 PolarHBondContact O-N 3.46Š| ||
| 187 | S | 31.9 | Very low | 37.7 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -67 | 150.5 | 159.7 | 45 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 188 | S | 32.8 | Very low | 37.3 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 90.3 | 141.5 | 154.7 | -11.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 189 | I | 42 | Very low | 37.2 | Very low | 170 Ų | 170 | 132 Ų | 132 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | 96.2 | 127.4 | 171.6 | -60.1 | 159.8 | 0 | 0 | 0 | 113.2 | ||||
| 190 | D | 36.3 | Very low | 37 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | cis | -167.2 | 156.2 | -17.7 | -177.3 | 16.9 | 0 | 0 | 0 | 104.7 | ||||
| 191 | S | 37.5 | Very low | 36.8 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -63.9 | 137.2 | -176.8 | -29.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 192 | G | 31.5 | Very low | 36.4 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -174.9 | 104.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 193 | P | 44.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -89.8 | 143.7 | 162.6 | 34.8 | -26.8 | 0 | 0 | 0 | 109.2 | ||||
| 194 | L | 38.9 | Very low | 36.3 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | trans | 157.8 | 131.2 | 151.2 | -85.9 | 158.8 | 0 | 0 | 0 | 109.2 | ||||
| 195 | G | 34.7 | Very low | 35.7 | Very low | 68 Ų | 68 | 131.6 Ų | 131.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | 151.6 | 42.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | N197 | G195-N197 PolarHBondContact O-N 3.12Š| ||
| 196 | T | 31 | Very low | 35.6 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -70.9 | 108.9 | 160.4 | 46 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 197 | N | 35.8 | Very low | 35.2 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -119.2 | 102.4 | 165.7 | -72.6 | -11 | 0 | 0 | 0 | 109.6 | G195 | G195-N197 PolarHBondContact O-N 3.12Š| ||
| 198 | S | 32.5 | Very low | 35.3 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -90.7 | 131.8 | 160.4 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 199 | S | 38.5 | Very low | 35.7 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 179.7 | 105.1 | 155.5 | 41.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 200 | E | 30.6 | Very low | 35.7 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | 55.5 | 109.8 | 87.9 | -76.1 | -170.5 | 145.5 | 0 | 0 | 113.9 | |||||
| 201 | S | 36.4 | Very low | 35.4 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -160.7 | 99.4 | 142.1 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 202 | D | 30.9 | Very low | 35.4 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -53.2 | 139.9 | 151.5 | -81.5 | -48.3 | 0 | 0 | 0 | 110.4 | ||||
| 203 | I | 39.9 | Very low | 35.7 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -130.5 | 96.5 | 160.1 | -29.6 | 173.7 | 0 | 0 | 0 | 107.8 | ||||
| 204 | S | 36.1 | Very low | 35.4 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -56.4 | 150.6 | 164.9 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 205 | A | 32.3 | Very low | 35.4 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -44 | 149 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 206 | T | 32.1 | Very low | 35.8 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | -175.2 | 152.1 | 125.8 | -55.8 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 207 | V | 33.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 68% | 0.679 | 81% | 0.808 | S | S | * | * | trans | 113.3 | 90.7 | 147.8 | -169.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 208 | L | 34.1 | Very low | 36.4 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | 80 | 106.8 | 130.7 | -56.9 | 172.8 | 0 | 0 | 0 | 121.2 | ||||
| 209 | A | 40.3 | Very low | 36.8 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -72.2 | 153.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 210 | P | 42.1 | Very low | 37 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -124.8 | 117.8 | 150.8 | 24.3 | -6.1 | 0 | 0 | 0 | 112.3 | ||||
| 211 | S | 31.3 | Very low | 37.9 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | 21.6 | 126.9 | 126.8 | -174.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 212 | L | 36.3 | Very low | 38.7 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -55.9 | 129.2 | 160.5 | -65.5 | 153.7 | 0 | 0 | 0 | 112.2 | ||||
| 213 | S | 37.7 | Very low | 39.9 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -159.5 | 139.6 | 143.5 | -37.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 214 | A | 38.7 | Very low | 40.7 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | trans | -67.5 | 147.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 215 | G | 38.3 | Very low | 41.9 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -171 | 93.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N217 | G215-N217 PolarHBondContact O-N 3.34Š| ||
| 216 | D | 43.1 | Very low | 43.8 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -55.8 | 123.2 | 166.5 | -165.2 | 12.8 | 0 | 0 | 0 | 109.8 | ||||
| 217 | N | 42.2 | Very low | 45.9 | Very low | 152 Ų | 152 | 120 Ų | 120 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 177.7 | 128.2 | 146.7 | -91.1 | -31.1 | 0 | 0 | 0 | 110.1 | G215 N219 | G215-N217 PolarHBondContact O-N 3.34Å; N217-N219 PolarHBondContact O-N 2.9Å | ||
| 218 | G | 36.9 | Very low | 48 | Very low | 77 Ų | 77 | 117.5 Ų | 117.5 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -54.9 | 129.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 219 | N | 41.1 | Very low | 50.5 | Low | 139 Ų | 139 | 113 Ų | 113 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -151.9 | 91.6 | 150.4 | -138.6 | 8.3 | 0 | 0 | 0 | 111 | N217 S221 | N217-N219 PolarHBondContact O-N 2.9Å; N219-S221 VanDerWaalsContact C-N 3.26Å; N219-S221 PolarHBondContact O-N 3.46Å | ||
| 220 | S | 42.9 | Very low | 52.8 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 78.4 | 165.6 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 221 | S | 50.2 | Low | 55 | Low | 97 Ų | 97 | 117.7 Ų | 117.7 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160 | 2.4 | 171.5 | -146.6 | 0 | 0 | 0 | 0 | 117.8 | N219 | N219-S221 VanDerWaalsContact C-N 3.26Å; N219-S221 PolarHBondContact O-N 3.46Å |
| 222 | Q | 52.6 | Low | 57.8 | Low | 174 Ų | 174 | 117.3 Ų | 117.3 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | trans | -116.6 | 10.4 | -176.2 | -95 | 174.5 | -30.9 | 0 | 0 | 116.5 | N224 | Q222-N224 VanDerWaalsContact C-N 3.26Å; Q222-N224 PolarHBondContact O-N 3.1Å | ||
| 223 | Q | 55.9 | Low | 60.5 | Low | 173 Ų | 173 | 117.3 Ų | 117.3 | 81% | 0.808 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.8 | -10.3 | 179.7 | -77.9 | -169.7 | -16.3 | 0 | 0 | 115.4 | ||
| 224 | N | 57.2 | Low | 63.2 | Low | 140 Ų | 140 | 115.4 Ų | 115.4 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.3 | -26.6 | -177.3 | -72.5 | -25.5 | 0 | 0 | 0 | 113.6 | Q222 S228 | Q222-N224 VanDerWaalsContact C-N 3.26Å; Q222-N224 PolarHBondContact O-N 3.1Å; N224-S228 PolarHBondContact O-N 3.37Å |
| 225 | G | 61.3 | Low | 65.9 | Low | 41 Ų | 41 | 117.1 Ų | 117.1 | 42% | 0.423 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70 | -44.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S228 T229 | G225-S228 PolarHBondContact O-N 3.28Å; G225-S228 PolarHBondContact O-OG 3.28Å; G225-T229 PolarHBondContact O-N 2.96Å; G225-T229 PolarHBondContact O-OG1 3.24Å; G225-T229 VanDerWaalsContact O-OG1 3.14Å |
| 226 | D | 71.3 | Confident | 68.7 | Low | 122 Ų | 122 | 118 Ų | 118 | 65% | 0.652 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.3 | -35.7 | 179.6 | -85.8 | -26.5 | 0 | 0 | 0 | 112.9 | S228 T229 K230 | D226-S228 VanDerWaalsContact C-N 3.31Å; D226-S228 PolarHBondContact O-N 2.97Å; D226-T229 PolarHBondContact O-N 3.39Å; D226-K230 WeakPolarHBondContact O-CB 3.46Å; D226-K230 PolarHBondContact O-N 3.41Å |
| 227 | A | 76.2 | Confident | 71.2 | Confident | 60 Ų | 60 | 116.9 Ų | 116.9 | 50% | 0.496 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.4 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | R231 | A227-R231 WeakPolarHBondContact O-CB 3.42Å; A227-R231 PolarHBondContact O-N 2.95Å |
| 228 | S | 78.9 | Confident | 73.8 | Confident | 60 Ų | 60 | 114.6 Ų | 114.6 | 42% | 0.42 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.7 | -43.4 | 178 | 80.4 | 0 | 0 | 0 | 0 | 112.1 | N224 G225 D226 R231 I232 | N224-S228 PolarHBondContact O-N 3.37Å; G225-S228 PolarHBondContact O-N 3.28Å; G225-S228 PolarHBondContact O-OG 3.28Å; D226-S228 VanDerWaalsContact C-N 3.31Å; D226-S228 PolarHBondContact O-N 2.97Å; S228-R231 WeakPolarHBondContact O-CB 3.42Å; S228-R231 PolarHBondContact O-N 3.23Å; S228-I232 WeakPolarHBondContact O-CG1 3.38Å; S228-I232 PolarHBondContact O-N 2.93Å |
| 229 | T | 85.5 | Confident | 76.7 | Confident | 60 Ų | 60 | 117.2 Ų | 117.2 | 37% | 0.368 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.9 | -41.9 | -179.9 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | G225 D226 R231 I232 R233 | G225-T229 PolarHBondContact O-N 2.96Å; G225-T229 PolarHBondContact O-OG1 3.24Å; G225-T229 VanDerWaalsContact O-OG1 3.14Å; D226-T229 PolarHBondContact O-N 3.39Å; T229-R231 VanDerWaalsContact C-N 3.34Å; T229-R231 PolarHBondContact O-N 2.92Å; T229-I232 PolarHBondContact O-N 3.35Å; T229-R233 WeakPolarHBondContact O-CG 3.38Å; T229-R233 PolarHBondContact O-N 2.67Å |
| 230 | K | 88.5 | Confident | 79.4 | Confident | 152 Ų | 152 | 116 Ų | 116 | 66% | 0.661 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.6 | -46.8 | 170.7 | -91.1 | -175.2 | 175.4 | 178.9 | 0 | 111.1 | D226 I232 R233 T234 | D226-K230 WeakPolarHBondContact O-CB 3.46Å; D226-K230 PolarHBondContact O-N 3.41Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 2.83Å; K230-R233 PolarHBondContact O-N 3.43Å; K230-T234 PolarHBondContact O-N 3.02Å; K230-T234 PolarHBondContact O-OG1 3.23Å; K230-T234 VanDerWaalsContact O-OG1 3.05Å |
| 231 | R | 89.6 | Confident | 82.1 | Confident | 161 Ų | 161 | 112.4 Ų | 112.4 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.5 | -39.8 | 179.6 | -167.6 | -179.8 | -172.4 | -165.6 | 4.1 | 112.4 | A227 S228 T229 R235 | A227-R231 WeakPolarHBondContact O-CB 3.42Å; A227-R231 PolarHBondContact O-N 2.95Å; S228-R231 WeakPolarHBondContact O-CB 3.42Å; S228-R231 PolarHBondContact O-N 3.23Å; T229-R231 VanDerWaalsContact C-N 3.34Å; T229-R231 PolarHBondContact O-N 2.92Å; R231-R235 WeakPolarHBondContact O-CG 3.42Å; R231-R235 PolarHBondContact O-N 2.92Å |
| 232 | I | 90.1 | Very high | 84.3 | Confident | 102 Ų | 102 | 109.9 Ų | 109.9 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -47.1 | 176.4 | -66.9 | 164.9 | 0 | 0 | 0 | 110.5 | S228 T229 K230 T234 R235 E236 | S228-I232 WeakPolarHBondContact O-CG1 3.38Å; S228-I232 PolarHBondContact O-N 2.93Å; T229-I232 PolarHBondContact O-N 3.35Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 2.83Å; I232-T234 PolarHBondContact O-N 2.8Å; I232-R235 PolarHBondContact O-N 3.27Å; I232-R235 VanDerWaalsContact O-N 3.17Å; I232-E236 PolarHBondContact O-N 3.4Å |
| 233 | R | 93 | Very high | 86.5 | Confident | 171 Ų | 171 | 109.5 Ų | 109.5 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.4 | -44.1 | 177.1 | -71.5 | -179 | -176.5 | 168.3 | 3 | 112.1 | T229 K230 R235 E236 Q237 | T229-R233 WeakPolarHBondContact O-CG 3.38Å; T229-R233 PolarHBondContact O-N 2.67Å; K230-R233 PolarHBondContact O-N 3.43Å; R233-R235 VanDerWaalsContact C-N 3.32Å; R233-R235 PolarHBondContact O-N 3.47Å; R233-E236 PolarHBondContact O-N 3Å; R233-Q237 WeakPolarHBondContact O-CB 3.4Å; R233-Q237 WeakPolarHBondContact O-CG 3.45Å; R233-Q237 PolarHBondContact O-N 2.75Å |
| 234 | T | 94.1 | Very high | 88.5 | Confident | 74 Ų | 74 | 103.8 Ų | 103.8 | 45% | 0.454 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 177.1 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | K230 I232 N238 | K230-T234 PolarHBondContact O-N 3.02Å; K230-T234 PolarHBondContact O-OG1 3.23Å; K230-T234 VanDerWaalsContact O-OG1 3.05Å; I232-T234 PolarHBondContact O-N 2.8Å; T234-N238 WeakPolarHBondContact O-CB 3.37Å; T234-N238 PolarHBondContact O-N 2.74Å; T234-N238 PolarHBondContact O-ND2 3.41Å |
| 235 | R | 95.4 | Very high | 90.5 | Very high | 150 Ų | 150 | 103.6 Ų | 103.6 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -44.7 | 174.3 | -79.3 | 178.3 | 175.6 | -174.1 | -2 | 112 | R231 I232 R233 N238 K239 | R231-R235 WeakPolarHBondContact O-CG 3.42Å; R231-R235 PolarHBondContact O-N 2.92Å; I232-R235 PolarHBondContact O-N 3.27Å; I232-R235 VanDerWaalsContact O-N 3.17Å; R233-R235 VanDerWaalsContact C-N 3.32Å; R233-R235 PolarHBondContact O-N 3.47Å; R235-N238 PolarHBondContact O-N 2.67Å; R235-K239 WeakPolarHBondContact O-CB 3.39Å; R235-K239 PolarHBondContact O-N 3.42Å |
| 236 | E | 95.7 | Very high | 92.2 | Very high | 92 Ų | 92 | 110.8 Ų | 110.8 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -40 | 177.3 | -76.4 | -57.3 | 146.2 | 0 | 0 | 112 | I232 R233 N238 K239 I240 | I232-E236 PolarHBondContact O-N 3.4Å; R233-E236 PolarHBondContact O-N 3Å; E236-N238 PolarHBondContact O-N 3.24Å; E236-K239 WeakPolarHBondContact O-CB 3.41Å; E236-K239 PolarHBondContact O-N 2.82Å; E236-K239 IonicContact OE1-NZ 2.67Å; E236-K239 IonicContact OE2-NZ 3.43Å; E236-I240 WeakPolarHBondContact O-CG1 3.48Å; E236-I240 PolarHBondContact O-N 3.26Å |
| 237 | Q | 96.7 | Very high | 93.5 | Very high | 131 Ų | 131 | 107.8 Ų | 107.8 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -44 | 172.3 | -74.4 | 176.7 | -13 | 0 | 0 | 112.2 | R233 K239 I240 A241 | R233-Q237 WeakPolarHBondContact O-CB 3.4Å; R233-Q237 WeakPolarHBondContact O-CG 3.45Å; R233-Q237 PolarHBondContact O-N 2.75Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; Q237-K239 PolarHBondContact O-N 2.91Å; Q237-I240 PolarHBondContact O-N 2.83Å; Q237-A241 WeakPolarHBondContact O-CB 3.46Å; Q237-A241 PolarHBondContact O-N 2.89Å |
| 238 | N | 97.1 | Very high | 94.6 | Very high | 103 Ų | 103 | 112 Ų | 112 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -38.2 | 175.2 | -90.8 | -64.2 | 0 | 0 | 0 | 112.4 | T234 R235 E236 A241 A242 | T234-N238 WeakPolarHBondContact O-CB 3.37Å; T234-N238 PolarHBondContact O-N 2.74Å; T234-N238 PolarHBondContact O-ND2 3.41Å; R235-N238 PolarHBondContact O-N 2.67Å; E236-N238 PolarHBondContact O-N 3.24Å; N238-A241 PolarHBondContact O-N 3.4Å; N238-A242 VanDerWaalsContact O-CB 3.23Å; N238-A242 WeakPolarHBondContact O-CB 3.45Å; N238-A242 PolarHBondContact O-N 3.46Å |
| 239 | K | 98.2 | Very high | 95.5 | Very high | 133 Ų | 133 | 115.5 Ų | 115.5 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 176.1 | -171.7 | -177.4 | 178.1 | -173 | 0 | 111.4 | R235 E236 Q237 K243 | R235-K239 WeakPolarHBondContact O-CB 3.39Å; R235-K239 PolarHBondContact O-N 3.42Å; E236-K239 WeakPolarHBondContact O-CB 3.41Å; E236-K239 PolarHBondContact O-N 2.82Å; E236-K239 IonicContact OE1-NZ 2.67Å; E236-K239 IonicContact OE2-NZ 3.43Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; Q237-K239 PolarHBondContact O-N 2.91Å; K239-K243 WeakPolarHBondContact O-CB 3.28Å; K239-K243 PolarHBondContact O-N 3.47Å |
| 240 | I | 97.9 | Very high | 96.1 | Very high | 113 Ų | 113 | 119.4 Ų | 119.4 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.5 | -46.4 | 175 | -65.5 | 165.6 | 0 | 0 | 0 | 110.5 | E236 Q237 A242 K243 S244 | E236-I240 WeakPolarHBondContact O-CG1 3.48Å; E236-I240 PolarHBondContact O-N 3.26Å; Q237-I240 PolarHBondContact O-N 2.83Å; I240-A242 PolarHBondContact O-N 2.86Å; I240-K243 PolarHBondContact O-N 3.38Å; I240-S244 WeakPolarHBondContact O-CB 3.44Å; I240-S244 PolarHBondContact O-N 3.47Å |
| 241 | A | 98.1 | Very high | 96.5 | Very high | 52 Ų | 52 | 117.8 Ų | 117.8 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q237 N238 S244 Y245 | Q237-A241 WeakPolarHBondContact O-CB 3.46Å; Q237-A241 PolarHBondContact O-N 2.89Å; N238-A241 PolarHBondContact O-N 3.4Å; A241-S244 PolarHBondContact O-N 2.85Å; A241-Y245 WeakPolarHBondContact O-CB 3.17Å; A241-Y245 PolarHBondContact O-N 3.3Å |
| 242 | A | 98 | Very high | 96.9 | Very high | 44 Ų | 44 | 114.4 Ų | 114.4 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | N238 I240 Y245 R246 | N238-A242 VanDerWaalsContact O-CB 3.23Å; N238-A242 WeakPolarHBondContact O-CB 3.45Å; N238-A242 PolarHBondContact O-N 3.46Å; I240-A242 PolarHBondContact O-N 2.86Å; A242-Y245 PolarHBondContact O-N 3.05Å; A242-R246 VanDerWaalsContact O-CG 3.31Å; A242-R246 WeakPolarHBondContact O-CG 3.35Å; A242-R246 PolarHBondContact O-N 2.92Å |
| 243 | K | 98.4 | Very high | 97.2 | Very high | 165 Ų | 165 | 115.7 Ų | 115.7 | 72% | 0.717 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.5 | -46 | 175 | -172.9 | 178.4 | 178.9 | -176.7 | 0 | 111.3 | K239 I240 Y245 R246 A247 | K239-K243 WeakPolarHBondContact O-CB 3.28Å; K239-K243 PolarHBondContact O-N 3.47Å; I240-K243 PolarHBondContact O-N 3.38Å; K243-Y245 PolarHBondContact O-N 3Å; K243-R246 PolarHBondContact O-N 3.31Å; K243-A247 WeakPolarHBondContact O-CB 3.23Å; K243-A247 PolarHBondContact O-N 2.95Å |
| 244 | S | 98.2 | Very high | 97.4 | Very high | 54 Ų | 54 | 112.9 Ų | 112.9 | 38% | 0.378 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176 | 173.6 | 0 | 0 | 0 | 0 | 112 | I240 A241 A247 R248 | I240-S244 WeakPolarHBondContact O-CB 3.44Å; I240-S244 PolarHBondContact O-N 3.47Å; A241-S244 PolarHBondContact O-N 2.85Å; S244-A247 PolarHBondContact O-N 2.89Å; S244-R248 WeakPolarHBondContact O-CG 3.02Å; S244-R248 PolarHBondContact O-N 2.78Å |
| 245 | Y | 98.2 | Very high | 97.6 | Very high | 136 Ų | 136 | 114.5 Ų | 114.5 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 175.2 | 175.6 | -97.1 | 0 | 0 | 0 | 112.2 | A241 A242 K243 A247 R248 K249 | A241-Y245 WeakPolarHBondContact O-CB 3.17Å; A241-Y245 PolarHBondContact O-N 3.3Å; A242-Y245 PolarHBondContact O-N 3.05Å; K243-Y245 PolarHBondContact O-N 3Å; Y245-A247 VanDerWaalsContact C-N 3.32Å; Y245-A247 PolarHBondContact O-N 2.99Å; Y245-R248 PolarHBondContact O-N 2.62Å; Y245-K249 HydrophobicContact CE1-CD 4.25Å; Y245-K249 WeakPolarHBondContact O-CB 3.46Å; Y245-K249 PolarHBondContact O-N 2.83Å |
| 246 | R | 98.2 | Very high | 97.7 | Very high | 192 Ų | 192 | 112.8 Ų | 112.8 | 73% | 0.725 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 177.7 | -71 | 177 | -170.8 | -158.3 | 3.2 | 112 | A242 K243 K249 K250 | A242-R246 VanDerWaalsContact O-CG 3.31Å; A242-R246 WeakPolarHBondContact O-CG 3.35Å; A242-R246 PolarHBondContact O-N 2.92Å; K243-R246 PolarHBondContact O-N 3.31Å; R246-K249 PolarHBondContact O-N 3.41Å; R246-K250 PolarHBondContact O-N 3.44Å |
| 247 | A | 98.3 | Very high | 97.8 | Very high | 59 Ų | 59 | 111.7 Ų | 111.7 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.4 | -51.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K243 S244 Y245 K249 K250 E251 | K243-A247 WeakPolarHBondContact O-CB 3.23Å; K243-A247 PolarHBondContact O-N 2.95Å; S244-A247 PolarHBondContact O-N 2.89Å; Y245-A247 VanDerWaalsContact C-N 3.32Å; Y245-A247 PolarHBondContact O-N 2.99Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-K249 PolarHBondContact O-N 3.48Å; A247-K250 WeakPolarHBondContact O-CB 3.49Å; A247-K250 PolarHBondContact O-N 2.96Å; A247-K250 VanDerWaalsContact O-N 3.15Å; A247-E251 PolarHBondContact O-N 2.78Å |
| 248 | R | 98.1 | Very high | 97.8 | Very high | 149 Ų | 149 | 108.7 Ų | 108.7 | 56% | 0.562 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.9 | -44.6 | 175.9 | -74.3 | -173.4 | -72 | -177.6 | -0.1 | 112 | S244 Y245 K250 E251 T252 | S244-R248 WeakPolarHBondContact O-CG 3.02Å; S244-R248 PolarHBondContact O-N 2.78Å; Y245-R248 PolarHBondContact O-N 2.62Å; R248-K250 VanDerWaalsContact C-N 3.31Å; R248-K250 PolarHBondContact O-N 3.01Å; R248-E251 WeakPolarHBondContact O-CB 3.48Å; R248-E251 PolarHBondContact O-N 3.49Å; R248-T252 PolarHBondContact O-N 3.4Å; R248-T252 PolarHBondContact O-OG1 2.75Å |
| 249 | K | 97.8 | Very high | 97.9 | Very high | 132 Ų | 132 | 106.1 Ų | 106.1 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.3 | -40.4 | 177.4 | -173.1 | 174.4 | -178.3 | 175.5 | 0 | 112.3 | Y245 R246 A247 F253 | Y245-K249 HydrophobicContact CE1-CD 4.25Å; Y245-K249 WeakPolarHBondContact O-CB 3.46Å; Y245-K249 PolarHBondContact O-N 2.83Å; R246-K249 PolarHBondContact O-N 3.41Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-K249 PolarHBondContact O-N 3.48Å; K249-F253 WeakPolarHBondContact O-CB 3.3Å; K249-F253 PolarHBondContact O-N 3Å; K249-F253 VanDerWaalsContact O-N 3.08Å |
| 250 | K | 97.8 | Very high | 97.8 | Very high | 142 Ų | 142 | 104.1 Ų | 104.1 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 176.4 | -172.8 | -179.4 | 178.5 | -176.5 | 0 | 111.4 | R246 A247 R248 F253 Q254 | R246-K250 PolarHBondContact O-N 3.44Å; A247-K250 WeakPolarHBondContact O-CB 3.49Å; A247-K250 PolarHBondContact O-N 2.96Å; A247-K250 VanDerWaalsContact O-N 3.15Å; R248-K250 VanDerWaalsContact C-N 3.31Å; R248-K250 PolarHBondContact O-N 3.01Å; K250-F253 PolarHBondContact O-N 3.3Å; K250-Q254 PolarHBondContact O-N 3.17Å |
| 251 | E | 97.8 | Very high | 97.8 | Very high | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -48.1 | 176.5 | -176.2 | -178.7 | -168.3 | 0 | 0 | 111.9 | A247 R248 F253 Q254 L255 | A247-E251 PolarHBondContact O-N 2.78Å; R248-E251 WeakPolarHBondContact O-CB 3.48Å; R248-E251 PolarHBondContact O-N 3.49Å; E251-F253 VanDerWaalsContact C-N 3.25Å; E251-F253 PolarHBondContact O-N 3.23Å; E251-Q254 PolarHBondContact O-N 3.15Å; E251-Q254 VanDerWaalsContact O-N 3.09Å; E251-L255 HydrophobicContact CG-CD1 4.38Å; E251-L255 PolarHBondContact O-N 3.28Å |
| 252 | T | 97.4 | Very high | 97.8 | Very high | 90 Ų | 90 | 107 Ų | 107 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58 | -39.9 | 176.4 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | R248 L255 L256 | R248-T252 PolarHBondContact O-N 3.4Å; R248-T252 PolarHBondContact O-OG1 2.75Å; T252-L255 PolarHBondContact O-N 3.09Å; T252-L256 WeakPolarHBondContact O-CB 3.48Å; T252-L256 PolarHBondContact O-N 3.4Å |
| 253 | F | 96.7 | Very high | 97.8 | Very high | 130 Ų | 130 | 110 Ų | 110 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 177 | -171.6 | -107.8 | 0 | 0 | 0 | 112.2 | K249 K250 E251 L256 I257 | K249-F253 WeakPolarHBondContact O-CB 3.3Å; K249-F253 PolarHBondContact O-N 3Å; K249-F253 VanDerWaalsContact O-N 3.08Å; K250-F253 PolarHBondContact O-N 3.3Å; E251-F253 VanDerWaalsContact C-N 3.25Å; E251-F253 PolarHBondContact O-N 3.23Å; F253-L256 PolarHBondContact O-N 3.06Å; F253-I257 HydrophobicContact CD1-CD1 3.65Å; F253-I257 HydrophobicContact CD1-CG1 4.48Å; F253-I257 HydrophobicContact CE1-CD1 3.38Å; F253-I257 HydrophobicContact CE1-CG1 4.24Å; F253-I257 HydrophobicContact CG-CD1 4.49Å; F253-I257 HydrophobicContact CZ-CD1 3.99Å; F253-I257 HydrophobicContact CZ-CG1 4.43Å; F253-I257 WeakPolarHBondContact O-CG1 3.37Å; F253-I257 PolarHBondContact O-N 3.03Å |
| 254 | Q | 97.5 | Very high | 97.8 | Very high | 111 Ų | 111 | 106.7 Ų | 106.7 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 174.3 | -74.9 | -176.2 | -0.9 | 0 | 0 | 112.6 | K250 E251 L256 I257 S258 | K250-Q254 PolarHBondContact O-N 3.17Å; E251-Q254 PolarHBondContact O-N 3.15Å; E251-Q254 VanDerWaalsContact O-N 3.09Å; Q254-L256 VanDerWaalsContact C-N 3.34Å; Q254-I257 PolarHBondContact O-N 2.86Å; Q254-S258 WeakPolarHBondContact O-CB 3.47Å; Q254-S258 PolarHBondContact O-N 2.86Å; Q254-S258 PolarHBondContact O-OG 3.41Å |
| 255 | L | 97.9 | Very high | 97.8 | Very high | 108 Ų | 108 | 110.3 Ų | 110.3 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -43.7 | 173.5 | -74.4 | 170 | 0 | 0 | 0 | 111.1 | E251 T252 S258 A259 | E251-L255 HydrophobicContact CG-CD1 4.38Å; E251-L255 PolarHBondContact O-N 3.28Å; T252-L255 PolarHBondContact O-N 3.09Å; L255-S258 PolarHBondContact O-N 2.88Å; L255-A259 WeakPolarHBondContact O-CB 3.39Å; L255-A259 PolarHBondContact O-N 3.21Å |
| 256 | L | 97.6 | Very high | 97.8 | Very high | 115 Ų | 115 | 108.5 Ų | 108.5 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 178.1 | -172.1 | 65.6 | 0 | 0 | 0 | 112.1 | T252 F253 Q254 A259 N260 | T252-L256 WeakPolarHBondContact O-CB 3.48Å; T252-L256 PolarHBondContact O-N 3.4Å; F253-L256 PolarHBondContact O-N 3.06Å; Q254-L256 VanDerWaalsContact C-N 3.34Å; L256-A259 PolarHBondContact O-N 3.26Å; L256-N260 WeakPolarHBondContact O-CB 3.27Å; L256-N260 PolarHBondContact O-N 3.49Å |
| 257 | I | 97.6 | Very high | 97.7 | Very high | 69 Ų | 69 | 105 Ų | 105 | 35% | 0.354 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 174.4 | -69.8 | 165.7 | 0 | 0 | 0 | 110.3 | F253 Q254 A259 N260 Q261 | F253-I257 HydrophobicContact CD1-CD1 3.65Å; F253-I257 HydrophobicContact CD1-CG1 4.48Å; F253-I257 HydrophobicContact CE1-CD1 3.38Å; F253-I257 HydrophobicContact CE1-CG1 4.24Å; F253-I257 HydrophobicContact CG-CD1 4.49Å; F253-I257 HydrophobicContact CZ-CD1 3.99Å; F253-I257 HydrophobicContact CZ-CG1 4.43Å; F253-I257 WeakPolarHBondContact O-CG1 3.37Å; F253-I257 PolarHBondContact O-N 3.03Å; Q254-I257 PolarHBondContact O-N 2.86Å; I257-A259 PolarHBondContact O-N 3.45Å; I257-N260 PolarHBondContact O-N 3.08Å; I257-Q261 WeakPolarHBondContact O-CG 3.46Å; I257-Q261 PolarHBondContact O-N 2.98Å |
| 258 | S | 97.9 | Very high | 97.7 | Very high | 67 Ų | 67 | 106.4 Ų | 106.4 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | -178.6 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | Q254 L255 Q261 Q262 | Q254-S258 WeakPolarHBondContact O-CB 3.47Å; Q254-S258 PolarHBondContact O-N 2.86Å; Q254-S258 PolarHBondContact O-OG 3.41Å; L255-S258 PolarHBondContact O-N 2.88Å; S258-Q261 PolarHBondContact O-N 3.28Å; S258-Q262 PolarHBondContact O-N 2.99Å |
| 259 | A | 98.2 | Very high | 97.7 | Very high | 49 Ų | 49 | 103.8 Ų | 103.8 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L255 L256 I257 Q262 L263 | L255-A259 WeakPolarHBondContact O-CB 3.39Å; L255-A259 PolarHBondContact O-N 3.21Å; L256-A259 PolarHBondContact O-N 3.26Å; I257-A259 PolarHBondContact O-N 3.45Å; A259-Q262 PolarHBondContact O-N 3.23Å; A259-L263 WeakPolarHBondContact O-CG 3.36Å; A259-L263 PolarHBondContact O-N 3.42Å |
| 260 | N | 97.3 | Very high | 97.7 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.3 | -165.8 | -70.4 | 0 | 0 | 0 | 111.4 | L256 I257 Q262 L263 Q264 | L256-N260 WeakPolarHBondContact O-CB 3.27Å; L256-N260 PolarHBondContact O-N 3.49Å; I257-N260 PolarHBondContact O-N 3.08Å; N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 3.22Å; N260-L263 PolarHBondContact O-N 3.32Å; N260-Q264 WeakPolarHBondContact O-CG 3.1Å; N260-Q264 PolarHBondContact O-N 3.32Å |
| 261 | Q | 98 | Very high | 97.7 | Very high | 112 Ų | 112 | 99.4 Ų | 99.4 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 175.6 | -70.8 | 176.8 | 0.4 | 0 | 0 | 112.1 | I257 S258 Q264 K265 | I257-Q261 WeakPolarHBondContact O-CG 3.46Å; I257-Q261 PolarHBondContact O-N 2.98Å; S258-Q261 PolarHBondContact O-N 3.28Å; Q261-Q264 PolarHBondContact O-N 2.85Å; Q261-K265 WeakPolarHBondContact O-CG 3.48Å; Q261-K265 PolarHBondContact O-N 3.2Å; Q261-K265 VanDerWaalsContact O-N 3.1Å |
| 262 | Q | 98 | Very high | 97.7 | Very high | 115 Ų | 115 | 100.2 Ų | 100.2 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.9 | -173.3 | 61.7 | 17.6 | 0 | 0 | 111.7 | S258 A259 N260 Q264 K265 E266 | S258-Q262 PolarHBondContact O-N 2.99Å; A259-Q262 PolarHBondContact O-N 3.23Å; N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 3.22Å; Q262-Q264 VanDerWaalsContact C-N 3.31Å; Q262-Q264 PolarHBondContact O-N 3.5Å; Q262-K265 WeakPolarHBondContact O-CB 3.46Å; Q262-K265 PolarHBondContact O-N 3.37Å; Q262-E266 PolarHBondContact O-N 2.94Å |
| 263 | L | 98 | Very high | 97.8 | Very high | 107 Ų | 107 | 100.2 Ų | 100.2 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.6 | -37.6 | 175.8 | -75.1 | 169.7 | 0 | 0 | 0 | 112.3 | A259 N260 E266 K267 | A259-L263 WeakPolarHBondContact O-CG 3.36Å; A259-L263 PolarHBondContact O-N 3.42Å; N260-L263 PolarHBondContact O-N 3.32Å; L263-E266 PolarHBondContact O-N 3.37Å; L263-K267 VanDerWaalsContact O-CB 3.29Å; L263-K267 WeakPolarHBondContact O-CB 3.13Å; L263-K267 PolarHBondContact O-N 2.98Å |
| 264 | Q | 97.5 | Very high | 97.8 | Very high | 94 Ų | 94 | 97.3 Ų | 97.3 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175 | -69.3 | -64.7 | -17.3 | 0 | 0 | 111.7 | N260 Q261 Q262 K267 T268 | N260-Q264 WeakPolarHBondContact O-CG 3.1Å; N260-Q264 PolarHBondContact O-N 3.32Å; Q261-Q264 PolarHBondContact O-N 2.85Å; Q262-Q264 VanDerWaalsContact C-N 3.31Å; Q262-Q264 PolarHBondContact O-N 3.5Å; Q264-K267 PolarHBondContact O-N 2.94Å; Q264-T268 WeakPolarHBondContact O-CG2 3.47Å; Q264-T268 PolarHBondContact O-N 2.95Å; Q264-T268 PolarHBondContact O-OG1 3.28Å |
| 265 | K | 97.8 | Very high | 97.8 | Very high | 131 Ų | 131 | 99.1 Ų | 99.1 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -48.6 | 175.3 | -71.1 | 174.7 | -178.3 | 176.9 | 0 | 111.1 | Q261 Q262 K267 T268 E269 | Q261-K265 WeakPolarHBondContact O-CG 3.48Å; Q261-K265 PolarHBondContact O-N 3.2Å; Q261-K265 VanDerWaalsContact O-N 3.1Å; Q262-K265 WeakPolarHBondContact O-CB 3.46Å; Q262-K265 PolarHBondContact O-N 3.37Å; K265-K267 PolarHBondContact O-N 3.35Å; K265-T268 PolarHBondContact O-N 3.43Å; K265-T268 VanDerWaalsContact O-N 3.17Å; K265-T268 PolarHBondContact O-OG1 3.4Å; K265-E269 PolarHBondContact O-N 3.01Å |
| 266 | E | 98.1 | Very high | 97.8 | Very high | 97 Ų | 97 | 98.9 Ų | 98.9 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 178.4 | -172.7 | 177.6 | -179.5 | 0 | 0 | 111.9 | Q262 L263 T268 E269 L270 | Q262-E266 PolarHBondContact O-N 2.94Å; L263-E266 PolarHBondContact O-N 3.37Å; E266-T268 VanDerWaalsContact C-N 3.33Å; E266-T268 PolarHBondContact O-N 3.49Å; E266-E269 PolarHBondContact O-N 2.98Å; E266-L270 HydrophobicContact CG-CD1 4.06Å; E266-L270 WeakPolarHBondContact O-CB 2.86Å; E266-L270 WeakPolarHBondContact O-CG 3.47Å; E266-L270 PolarHBondContact O-N 3.17Å |
| 267 | K | 97.5 | Very high | 97.8 | Very high | 119 Ų | 119 | 98.3 Ų | 98.3 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 174 | -179.8 | -177 | 176.7 | -178.6 | 0 | 111.5 | L263 Q264 K265 E269 L270 L271 | L263-K267 VanDerWaalsContact O-CB 3.29Å; L263-K267 WeakPolarHBondContact O-CB 3.13Å; L263-K267 PolarHBondContact O-N 2.98Å; Q264-K267 PolarHBondContact O-N 2.94Å; K265-K267 PolarHBondContact O-N 3.35Å; K267-E269 VanDerWaalsContact C-N 3.34Å; K267-E269 PolarHBondContact O-N 3.49Å; K267-L270 PolarHBondContact O-N 3.08Å; K267-L271 HydrophobicContact CG-CD1 4.13Å; K267-L271 WeakPolarHBondContact O-CB 3.45Å; K267-L271 VanDerWaalsContact O-CG 3.31Å; K267-L271 WeakPolarHBondContact O-CG 3.45Å; K267-L271 PolarHBondContact O-N 2.89Å |
| 268 | T | 97.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 55% | 0.546 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 178.7 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | Q264 K265 E266 R272 | Q264-T268 WeakPolarHBondContact O-CG2 3.47Å; Q264-T268 PolarHBondContact O-N 2.95Å; Q264-T268 PolarHBondContact O-OG1 3.28Å; K265-T268 PolarHBondContact O-N 3.43Å; K265-T268 VanDerWaalsContact O-N 3.17Å; K265-T268 PolarHBondContact O-OG1 3.4Å; E266-T268 VanDerWaalsContact C-N 3.33Å; E266-T268 PolarHBondContact O-N 3.49Å; T268-R272 PolarHBondContact O-N 3.39Å |
| 269 | E | 98.1 | Very high | 97.8 | Very high | 94 Ų | 94 | 100.7 Ų | 100.7 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 176.3 | -167.9 | -168.1 | 152.2 | 0 | 0 | 111.7 | K265 E266 K267 R272 K273 | K265-E269 PolarHBondContact O-N 3.01Å; E266-E269 PolarHBondContact O-N 2.98Å; K267-E269 VanDerWaalsContact C-N 3.34Å; K267-E269 PolarHBondContact O-N 3.49Å; E269-R272 WeakPolarHBondContact O-CB 3.3Å; E269-R272 PolarHBondContact O-N 3.08Å; E269-K273 PolarHBondContact O-N 3.46Å; E269-K273 WeakPolarHBondContact OE1-CE 3.5Å; E269-K273 IonicContact OE1-NZ 3.2Å; E269-K273 PolarHBondContact OE1-NZ 3.21Å |
| 270 | L | 98.3 | Very high | 97.8 | Very high | 89 Ų | 89 | 103.3 Ų | 103.3 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.8 | -76.7 | 168.6 | 0 | 0 | 0 | 111.5 | E266 K267 R272 K273 V274 | E266-L270 HydrophobicContact CG-CD1 4.06Å; E266-L270 WeakPolarHBondContact O-CB 2.86Å; E266-L270 WeakPolarHBondContact O-CG 3.47Å; E266-L270 PolarHBondContact O-N 3.17Å; K267-L270 PolarHBondContact O-N 3.08Å; L270-R272 VanDerWaalsContact C-N 3.26Å; L270-R272 PolarHBondContact O-N 3.02Å; L270-K273 PolarHBondContact O-N 3.19Å; L270-K273 VanDerWaalsContact O-N 3.11Å; L270-V274 WeakPolarHBondContact O-CG2 3.22Å; L270-V274 PolarHBondContact O-N 3.12Å |
| 271 | L | 97.7 | Very high | 97.8 | Very high | 92 Ų | 92 | 102.2 Ų | 102.2 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 175.3 | -74.3 | 173 | 0 | 0 | 0 | 112.1 | K267 K275 | K267-L271 HydrophobicContact CG-CD1 4.13Å; K267-L271 WeakPolarHBondContact O-CB 3.45Å; K267-L271 VanDerWaalsContact O-CG 3.31Å; K267-L271 WeakPolarHBondContact O-CG 3.45Å; K267-L271 PolarHBondContact O-N 2.89Å; L271-K275 WeakPolarHBondContact O-CG 3.26Å; L271-K275 PolarHBondContact O-N 3.2Å |
| 272 | R | 97.9 | Very high | 97.7 | Very high | 136 Ų | 136 | 101.4 Ų | 101.4 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 174.1 | -168.8 | -166.7 | 64.7 | 70.2 | -0.4 | 111.5 | T268 E269 L270 K275 Q276 | T268-R272 PolarHBondContact O-N 3.39Å; E269-R272 WeakPolarHBondContact O-CB 3.3Å; E269-R272 PolarHBondContact O-N 3.08Å; L270-R272 VanDerWaalsContact C-N 3.26Å; L270-R272 PolarHBondContact O-N 3.02Å; R272-K275 PolarHBondContact O-N 3.45Å; R272-Q276 WeakPolarHBondContact O-CB 3.4Å; R272-Q276 PolarHBondContact O-N 3.34Å |
| 273 | K | 97.9 | Very high | 97.6 | Very high | 89 Ų | 89 | 100 Ų | 100 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 177.2 | -72.8 | 178.1 | -175.5 | 164.7 | 0 | 112 | E269 L270 Q276 L277 | E269-K273 PolarHBondContact O-N 3.46Å; E269-K273 WeakPolarHBondContact OE1-CE 3.5Å; E269-K273 IonicContact OE1-NZ 3.2Å; E269-K273 PolarHBondContact OE1-NZ 3.21Å; L270-K273 PolarHBondContact O-N 3.19Å; L270-K273 VanDerWaalsContact O-N 3.11Å; K273-Q276 WeakPolarHBondContact O-CB 3.46Å; K273-Q276 PolarHBondContact O-N 2.99Å; K273-L277 WeakPolarHBondContact O-CG 3.44Å; K273-L277 PolarHBondContact O-N 3.35Å |
| 274 | V | 97.7 | Very high | 97.5 | Very high | 70 Ų | 70 | 99.2 Ų | 99.2 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -51 | 176 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | L270 Q276 L277 E278 | L270-V274 WeakPolarHBondContact O-CG2 3.22Å; L270-V274 PolarHBondContact O-N 3.12Å; V274-Q276 VanDerWaalsContact C-N 3.27Å; V274-Q276 PolarHBondContact O-N 2.95Å; V274-L277 PolarHBondContact O-N 2.86Å; V274-L277 VanDerWaalsContact O-N 3.14Å; V274-E278 HydrophobicContact CG1-CG 4.22Å; V274-E278 WeakPolarHBondContact O-CB 3.47Å; V274-E278 WeakPolarHBondContact O-CG 3.4Å; V274-E278 PolarHBondContact O-N 3.39Å |
| 275 | K | 97.8 | Very high | 97.4 | Very high | 148 Ų | 148 | 102.9 Ų | 102.9 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.9 | -39.3 | 176.6 | -74.1 | -177.8 | 178.2 | -174 | 0 | 112.9 | L271 R272 S279 | L271-K275 WeakPolarHBondContact O-CG 3.26Å; L271-K275 PolarHBondContact O-N 3.2Å; R272-K275 PolarHBondContact O-N 3.45Å; K275-S279 PolarHBondContact O-N 3.24Å |
| 276 | Q | 97.9 | Very high | 97.2 | Very high | 103 Ų | 103 | 101.8 Ų | 101.8 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 176.5 | -176.5 | 176.5 | -6.3 | 0 | 0 | 111.3 | R272 K273 V274 S279 E280 | R272-Q276 WeakPolarHBondContact O-CB 3.4Å; R272-Q276 PolarHBondContact O-N 3.34Å; K273-Q276 WeakPolarHBondContact O-CB 3.46Å; K273-Q276 PolarHBondContact O-N 2.99Å; V274-Q276 VanDerWaalsContact C-N 3.27Å; V274-Q276 PolarHBondContact O-N 2.95Å; Q276-S279 PolarHBondContact O-N 3.3Å; Q276-S279 PolarHBondContact O-OG 2.86Å; Q276-E280 PolarHBondContact O-N 2.89Å |
| 277 | L | 98 | Very high | 97 | Very high | 103 Ų | 103 | 104.4 Ų | 104.4 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.4 | -70.5 | 171.2 | 0 | 0 | 0 | 112.3 | K273 V274 S279 E280 V281 | K273-L277 WeakPolarHBondContact O-CG 3.44Å; K273-L277 PolarHBondContact O-N 3.35Å; V274-L277 PolarHBondContact O-N 2.86Å; V274-L277 VanDerWaalsContact O-N 3.14Å; L277-S279 VanDerWaalsContact C-N 3.31Å; L277-S279 PolarHBondContact O-N 3.45Å; L277-E280 PolarHBondContact O-N 3.45Å; L277-V281 WeakPolarHBondContact O-CG2 3.45Å; L277-V281 PolarHBondContact O-N 2.96Å |
| 278 | E | 97.7 | Very high | 96.7 | Very high | 116 Ų | 116 | 104.1 Ų | 104.1 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 173.3 | -74.7 | 173.9 | 162.7 | 0 | 0 | 111 | V274 E280 V281 V282 | V274-E278 HydrophobicContact CG1-CG 4.22Å; V274-E278 WeakPolarHBondContact O-CB 3.47Å; V274-E278 WeakPolarHBondContact O-CG 3.4Å; V274-E278 PolarHBondContact O-N 3.39Å; E278-E280 VanDerWaalsContact C-N 3.33Å; E278-E280 PolarHBondContact O-N 2.98Å; E278-V281 PolarHBondContact O-N 2.98Å; E278-V282 VanDerWaalsContact O-CG2 3.32Å; E278-V282 WeakPolarHBondContact O-CG2 3.31Å; E278-V282 PolarHBondContact O-N 3.23Å |
| 279 | S | 97.2 | Very high | 96.3 | Very high | 71 Ų | 71 | 104.3 Ų | 104.3 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 176.7 | 75.4 | 0 | 0 | 0 | 0 | 112.7 | K275 Q276 L277 V282 N283 | K275-S279 PolarHBondContact O-N 3.24Å; Q276-S279 PolarHBondContact O-N 3.3Å; Q276-S279 PolarHBondContact O-OG 2.86Å; L277-S279 VanDerWaalsContact C-N 3.31Å; L277-S279 PolarHBondContact O-N 3.45Å; S279-V282 PolarHBondContact O-N 3.27Å; S279-N283 WeakPolarHBondContact O-CB 3.23Å; S279-N283 PolarHBondContact O-N 2.86Å |
| 280 | E | 97.2 | Very high | 95.9 | Very high | 103 Ų | 103 | 104.6 Ų | 104.6 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68 | -42.6 | 176.8 | -171.7 | 175.7 | 179 | 0 | 0 | 111.3 | Q276 L277 E278 V282 N283 L284 | Q276-E280 PolarHBondContact O-N 2.89Å; L277-E280 PolarHBondContact O-N 3.45Å; E278-E280 VanDerWaalsContact C-N 3.33Å; E278-E280 PolarHBondContact O-N 2.98Å; E280-V282 VanDerWaalsContact C-N 3.35Å; E280-V282 PolarHBondContact O-N 2.82Å; E280-N283 PolarHBondContact O-N 3.28Å; E280-L284 HydrophobicContact CG-CD1 4.18Å; E280-L284 WeakPolarHBondContact O-CB 3.34Å; E280-L284 VanDerWaalsContact O-CG 3.3Å; E280-L284 WeakPolarHBondContact O-CG 3.48Å; E280-L284 PolarHBondContact O-N 3.05Å |
| 281 | V | 97.3 | Very high | 95 | Very high | 69 Ų | 69 | 105.8 Ų | 105.8 | 42% | 0.418 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L277 E278 L284 R285 | L277-V281 WeakPolarHBondContact O-CG2 3.45Å; L277-V281 PolarHBondContact O-N 2.96Å; E278-V281 PolarHBondContact O-N 2.98Å; V281-L284 PolarHBondContact O-N 2.96Å; V281-R285 HydrophobicContact CG1-CG 4.44Å; V281-R285 WeakPolarHBondContact O-CB 3.41Å; V281-R285 VanDerWaalsContact O-CG 3.3Å; V281-R285 WeakPolarHBondContact O-CG 3.26Å; V281-R285 PolarHBondContact O-N 2.93Å |
| 282 | V | 96.9 | Very high | 94.1 | Very high | 94 Ų | 94 | 105.5 Ų | 105.5 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -46 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | E278 S279 E280 L284 R285 Q286 | E278-V282 VanDerWaalsContact O-CG2 3.32Å; E278-V282 WeakPolarHBondContact O-CG2 3.31Å; E278-V282 PolarHBondContact O-N 3.23Å; S279-V282 PolarHBondContact O-N 3.27Å; E280-V282 VanDerWaalsContact C-N 3.35Å; E280-V282 PolarHBondContact O-N 2.82Å; V282-L284 PolarHBondContact O-N 3.07Å; V282-R285 PolarHBondContact O-N 3.33Å; V282-Q286 WeakPolarHBondContact O-CB 3.37Å; V282-Q286 PolarHBondContact O-N 3.21Å |
| 283 | N | 96 | Very high | 92.6 | Very high | 87 Ų | 87 | 109.3 Ų | 109.3 | 47% | 0.465 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 177.5 | -171.6 | -51.5 | 0 | 0 | 0 | 111.7 | S279 E280 R285 Q286 R287 | S279-N283 WeakPolarHBondContact O-CB 3.23Å; S279-N283 PolarHBondContact O-N 2.86Å; E280-N283 PolarHBondContact O-N 3.28Å; N283-R285 PolarHBondContact O-N 2.89Å; N283-Q286 PolarHBondContact O-N 3.46Å; N283-R287 WeakPolarHBondContact O-CG 3.37Å; N283-R287 PolarHBondContact O-N 3.12Å; N283-R287 WeakPolarHBondContact OD1-CD 3.37Å |
| 284 | L | 95.5 | Very high | 90.9 | Very high | 90 Ų | 90 | 110.4 Ų | 110.4 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 178.1 | -72.8 | 172.5 | 0 | 0 | 0 | 112.3 | E280 V281 V282 R287 L288 | E280-L284 HydrophobicContact CG-CD1 4.18Å; E280-L284 WeakPolarHBondContact O-CB 3.34Å; E280-L284 VanDerWaalsContact O-CG 3.3Å; E280-L284 WeakPolarHBondContact O-CG 3.48Å; E280-L284 PolarHBondContact O-N 3.05Å; V281-L284 PolarHBondContact O-N 2.96Å; V282-L284 PolarHBondContact O-N 3.07Å; L284-R287 PolarHBondContact O-N 2.91Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 PolarHBondContact O-N 2.98Å |
| 285 | R | 95 | Very high | 88.8 | Confident | 171 Ų | 171 | 110.4 Ų | 110.4 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.6 | -44.9 | 174.9 | -75.4 | 178.8 | -178.6 | -154.9 | 1.4 | 111.5 | V281 V282 N283 R287 L288 D289 | V281-R285 HydrophobicContact CG1-CG 4.44Å; V281-R285 WeakPolarHBondContact O-CB 3.41Å; V281-R285 VanDerWaalsContact O-CG 3.3Å; V281-R285 WeakPolarHBondContact O-CG 3.26Å; V281-R285 PolarHBondContact O-N 2.93Å; V282-R285 PolarHBondContact O-N 3.33Å; N283-R285 PolarHBondContact O-N 2.89Å; R285-R287 VanDerWaalsContact C-N 3.33Å; R285-R287 PolarHBondContact O-N 3.31Å; R285-L288 WeakPolarHBondContact O-CB 3.39Å; R285-L288 PolarHBondContact O-N 2.93Å; R285-L288 VanDerWaalsContact O-N 3.08Å; R285-D289 PolarHBondContact O-N 2.83Å |
| 286 | Q | 94 | Very high | 86.5 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 51% | 0.505 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -58.4 | -45.3 | 176.8 | -176.1 | -178.6 | -8.5 | 0 | 0 | 111.6 | V282 N283 L288 D289 E290 | V282-Q286 WeakPolarHBondContact O-CB 3.37Å; V282-Q286 PolarHBondContact O-N 3.21Å; N283-Q286 PolarHBondContact O-N 3.46Å; Q286-L288 VanDerWaalsContact C-N 3.26Å; Q286-L288 PolarHBondContact O-N 2.91Å; Q286-D289 PolarHBondContact O-N 3.4Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.44Å; Q286-E290 PolarHBondContact NE2-OE1 3.44Å; Q286-E290 WeakPolarHBondContact O-CB 3.5Å; Q286-E290 WeakPolarHBondContact O-CG 3.35Å; Q286-E290 PolarHBondContact O-N 3.22Å |
| 287 | R | 93 | Very high | 84.2 | Confident | 151 Ų | 151 | 107.5 Ų | 107.5 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.9 | -32.9 | 176.6 | -68.7 | 177.2 | 71.1 | -173.1 | 3.2 | 112.7 | N283 L284 R285 N291 | N283-R287 WeakPolarHBondContact O-CG 3.37Å; N283-R287 PolarHBondContact O-N 3.12Å; N283-R287 WeakPolarHBondContact OD1-CD 3.37Å; L284-R287 PolarHBondContact O-N 2.91Å; R285-R287 VanDerWaalsContact C-N 3.33Å; R285-R287 PolarHBondContact O-N 3.31Å; R287-N291 WeakPolarHBondContact O-CB 3.45Å; R287-N291 PolarHBondContact O-N 2.98Å; R287-N291 VanDerWaalsContact O-N 3.11Å |
| 288 | L | 91.9 | Very high | 81.8 | Confident | 113 Ų | 113 | 112.9 Ų | 112.9 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.1 | -39.5 | 177.8 | -144.5 | 148.1 | 0 | 0 | 0 | 111.2 | L284 R285 Q286 N291 T292 | L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 PolarHBondContact O-N 2.98Å; R285-L288 WeakPolarHBondContact O-CB 3.39Å; R285-L288 PolarHBondContact O-N 2.93Å; R285-L288 VanDerWaalsContact O-N 3.08Å; Q286-L288 VanDerWaalsContact C-N 3.26Å; Q286-L288 PolarHBondContact O-N 2.91Å; L288-N291 PolarHBondContact O-N 3.33Å; L288-T292 WeakPolarHBondContact O-CG2 3.37Å; L288-T292 PolarHBondContact O-N 3.17Å; L288-T292 VanDerWaalsContact O-N 3.08Å; L288-T292 PolarHBondContact O-OG1 2.78Å; L288-T292 VanDerWaalsContact O-OG1 3.07Å |
| 289 | D | 90.3 | Very high | 79.2 | Confident | 94 Ų | 94 | 118.3 Ų | 118.3 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.8 | -36.9 | 174.2 | -69.9 | -17.6 | 0 | 0 | 0 | 112.1 | R285 Q286 T292 R293 | R285-D289 PolarHBondContact O-N 2.83Å; Q286-D289 PolarHBondContact O-N 3.4Å; D289-T292 WeakPolarHBondContact CA-OG1 3.5Å; D289-T292 PolarHBondContact O-OG1 3.04Å; D289-R293 WeakPolarHBondContact O-CG 3.36Å; D289-R293 PolarHBondContact O-N 3.42Å; D289-R293 VanDerWaalsContact O-N 3.11Å |
| 290 | E | 87.8 | Confident | 76.7 | Confident | 99 Ų | 99 | 121.4 Ų | 121.4 | 46% | 0.463 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.3 | -46.6 | 173.7 | -75.4 | 169.5 | -171.2 | 0 | 0 | 111.3 | Q286 T292 R293 T294 | Q286-E290 WeakPolarHBondContact CG-OE1 3.44Å; Q286-E290 PolarHBondContact NE2-OE1 3.44Å; Q286-E290 WeakPolarHBondContact O-CB 3.5Å; Q286-E290 WeakPolarHBondContact O-CG 3.35Å; Q286-E290 PolarHBondContact O-N 3.22Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.44Å; E290-R293 PolarHBondContact O-N 3.37Å; E290-T294 PolarHBondContact O-N 2.98Å; E290-T294 VanDerWaalsContact O-N 3.08Å; E290-T294 PolarHBondContact O-OG1 3.05Å; E290-T294 VanDerWaalsContact O-OG1 3.1Å |
| 291 | N | 79.5 | Confident | 74.3 | Confident | 115 Ų | 115 | 121.7 Ų | 121.7 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.1 | -38.8 | 178.2 | -81 | -15.2 | 0 | 0 | 0 | 112.9 | R287 L288 T294 A295 | R287-N291 WeakPolarHBondContact O-CB 3.45Å; R287-N291 PolarHBondContact O-N 2.98Å; R287-N291 VanDerWaalsContact O-N 3.11Å; L288-N291 PolarHBondContact O-N 3.33Å; N291-T294 WeakPolarHBondContact CA-OG1 3.42Å; N291-T294 PolarHBondContact O-N 3.03Å; N291-T294 PolarHBondContact O-OG1 2.99Å; N291-A295 PolarHBondContact O-N 2.94Å; N291-A295 VanDerWaalsContact O-N 3.13Å |
| 292 | T | 79 | Confident | 71.5 | Confident | 85 Ų | 85 | 124.7 Ų | 124.7 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.4 | -30.8 | 177.5 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | L288 D289 E290 A295 | L288-T292 WeakPolarHBondContact O-CG2 3.37Å; L288-T292 PolarHBondContact O-N 3.17Å; L288-T292 VanDerWaalsContact O-N 3.08Å; L288-T292 PolarHBondContact O-OG1 2.78Å; L288-T292 VanDerWaalsContact O-OG1 3.07Å; D289-T292 WeakPolarHBondContact CA-OG1 3.5Å; D289-T292 PolarHBondContact O-OG1 3.04Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.44Å; T292-A295 PolarHBondContact O-N 3.33Å |
| 293 | R | 67.3 | Low | 69.2 | Low | 216 Ų | 216 | 127.2 Ų | 127.2 | 82% | 0.815 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.3 | -31.8 | 173.1 | -73.7 | 179 | -175.1 | -156 | 2.5 | 113.3 | D289 E290 A295 | D289-R293 WeakPolarHBondContact O-CG 3.36Å; D289-R293 PolarHBondContact O-N 3.42Å; D289-R293 VanDerWaalsContact O-N 3.11Å; E290-R293 PolarHBondContact O-N 3.37Å; R293-A295 VanDerWaalsContact C-N 3.32Å |
| 294 | T | 61.3 | Low | 66.5 | Low | 113 Ų | 113 | 127.7 Ų | 127.7 | 69% | 0.693 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -77.3 | -17.1 | 172.1 | 42.2 | 0 | 0 | 0 | 0 | 113.7 | E290 N291 A296 | E290-T294 PolarHBondContact O-N 2.98Å; E290-T294 VanDerWaalsContact O-N 3.08Å; E290-T294 PolarHBondContact O-OG1 3.05Å; E290-T294 VanDerWaalsContact O-OG1 3.1Å; N291-T294 WeakPolarHBondContact CA-OG1 3.42Å; N291-T294 PolarHBondContact O-N 3.03Å; N291-T294 PolarHBondContact O-OG1 2.99Å; T294-A296 PolarHBondContact O-N 3.27Å |
| 295 | A | 55.2 | Low | 64 | Low | 70 Ų | 70 | 127.1 Ų | 127.1 | 58% | 0.579 | 67% | 0.67 | S | S | * | * | trans | -78.9 | 55 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N291 T292 R293 | N291-A295 PolarHBondContact O-N 2.94Å; N291-A295 VanDerWaalsContact O-N 3.13Å; T292-A295 PolarHBondContact O-N 3.33Å; R293-A295 VanDerWaalsContact C-N 3.32Å | ||
| 296 | A | 49.5 | Very low | 61.5 | Low | 71 Ų | 71 | 128.3 Ų | 128.3 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | trans | -67.4 | 147.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T294 Y298 | T294-A296 PolarHBondContact O-N 3.27Å; A296-Y298 PolarHBondContact O-N 3.14Å | ||
| 297 | P | 48.6 | Very low | 58.7 | Low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | trans | -66.8 | 125.3 | -155.5 | 28.5 | -33 | 0 | 0 | 0 | 109.7 | R299 | P297-R299 VanDerWaalsContact C-N 3.33Å; P297-R299 PolarHBondContact O-N 3.48Å | ||
| 298 | Y | 48.5 | Very low | 56.4 | Low | 216 Ų | 216 | 129.3 Ų | 129.3 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | trans | -50 | 109 | 156.6 | -65.8 | -84.8 | 0 | 0 | 0 | 106.1 | A296 T300 | A296-Y298 PolarHBondContact O-N 3.14Å; Y298-T300 PolarHBondContact O-N 2.91Å | ||
| 299 | R | 43.1 | Very low | 54.3 | Low | 230 Ų | 230 | 128.6 Ų | 128.6 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | trans | -47.6 | 109.5 | 169.1 | -89.6 | -172.9 | 169.2 | -175.6 | -2 | 106.1 | P297 T301 | P297-R299 VanDerWaalsContact C-N 3.33Å; P297-R299 PolarHBondContact O-N 3.48Å; R299-T301 PolarHBondContact O-N 3.17Å | ||
| 300 | T | 44.1 | Very low | 52.1 | Low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 72% | 0.721 | S | S | * | * | trans | -61.4 | 90.7 | 160.6 | -33.5 | 0 | 0 | 0 | 0 | 105.2 | Y298 T302 | Y298-T300 PolarHBondContact O-N 2.91Å; T300-T302 PolarHBondContact O-N 3.33Å | ||
| 301 | T | 47 | Very low | 50.3 | Low | 109 Ų | 109 | 132.7 Ų | 132.7 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | -57.7 | 110.5 | 164.7 | 34.8 | 0 | 0 | 0 | 0 | 106.2 | R299 I303 | R299-T301 PolarHBondContact O-N 3.17Å; T301-I303 VanDerWaalsContact C-N 3.32Å; T301-I303 PolarHBondContact O-N 2.78Å | ||
| 302 | T | 37.8 | Very low | 48.2 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | -49.6 | 95.3 | 164.9 | -50.3 | 0 | 0 | 0 | 0 | 108.6 | T300 A304 | T300-T302 PolarHBondContact O-N 3.33Å; T302-A304 VanDerWaalsContact C-N 3.3Å; T302-A304 PolarHBondContact O-N 3.38Å | ||
| 303 | I | 48 | Very low | 46.2 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -83.8 | 89.8 | 161.7 | -53.6 | 178.1 | 0 | 0 | 0 | 105.3 | T301 A305 | T301-I303 VanDerWaalsContact C-N 3.32Å; T301-I303 PolarHBondContact O-N 2.78Å; I303-A305 VanDerWaalsContact C-N 3.34Å; I303-A305 HydrophobicContact CG2-CB 4.05Å; I303-A305 PolarHBondContact O-N 3.33Å | ||
| 304 | A | 39.9 | Very low | 44.7 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | -64.8 | 97.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | T302 | T302-A304 VanDerWaalsContact C-N 3.3Å; T302-A304 PolarHBondContact O-N 3.38Å | ||
| 305 | A | 43.6 | Very low | 43.7 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | trans | -144.1 | 98.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I303 | I303-A305 VanDerWaalsContact C-N 3.34Å; I303-A305 HydrophobicContact CG2-CB 4.05Å; I303-A305 PolarHBondContact O-N 3.33Å | ||
| 306 | K | 41.5 | Very low | 43 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | 25 | 117.5 | 140.6 | -98.5 | 168.9 | 170.3 | 174.9 | 0 | 118.4 | ||||
| 307 | S | 37 | Very low | 42.2 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 52.1 | 115.7 | 137.7 | 72.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 308 | M | 42.7 | Very low | 41.8 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | -169.5 | 146.2 | 127.3 | -95.1 | -91.7 | 141.6 | 0 | 0 | 109.3 | |||||
| 309 | P | 48.7 | Very low | 41.4 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 169.1 | -165.9 | 36.5 | -34.5 | 0 | 0 | 0 | 112.8 | I311 | P309-I311 PolarHBondContact O-N 3.38Š|
| 310 | P | 44.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79 | 121.7 | -167.5 | 31.7 | -31.1 | 0 | 0 | 0 | 110.8 | ||
| 311 | I | 48.5 | Very low | 40.5 | Very low | 156 Ų | 156 | 126 Ų | 126 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 116.5 | 164.7 | -64.9 | 177 | 0 | 0 | 0 | 107.9 | P309 | P309-I311 PolarHBondContact O-N 3.38Š|
| 312 | V | 35.4 | Very low | 39.8 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124.6 | 167.9 | -156.2 | 0 | 0 | 0 | 0 | 108.1 | ||
| 313 | S | 38.7 | Very low | 40.2 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -146.4 | 99.9 | 162.2 | -73.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 314 | S | 35.2 | Very low | 39.5 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -63.5 | 132.3 | 163.6 | 42.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 315 | S | 40.7 | Very low | 39.3 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -176.6 | 121.3 | 131.7 | 35.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 316 | T | 38.8 | Very low | 39 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 63.3 | 105.7 | 139.1 | 50.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 317 | S | 34.5 | Very low | 38.6 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | 61.5 | 100.1 | 124 | 71.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 318 | A | 38.6 | Very low | 39 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -145.8 | 105 | 140 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 319 | T | 39.8 | Very low | 38.9 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | 12.4 | 117.4 | 151.9 | 14.5 | 0 | 0 | 0 | 0 | 120 | V321 | T319-V321 PolarHBondContact O-N 3.45Š| ||
| 320 | N | 33.3 | Very low | 38.4 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -39.4 | 119.6 | 157.5 | -70.8 | -42.7 | 0 | 0 | 0 | 114.5 | ||||
| 321 | V | 35.3 | Very low | 37.8 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -149.5 | 88.8 | 135.2 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | T319 I323 | T319-V321 PolarHBondContact O-N 3.45Å; V321-I323 HydrophobicContact CG1-CG1 4.27Å | ||
| 322 | L | 33.8 | Very low | 37.4 | Very low | 168 Ų | 168 | 129 Ų | 129 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -113.3 | 104.7 | 161 | -149.2 | 87.9 | 0 | 0 | 0 | 106.7 | ||||
| 323 | I | 44.7 | Very low | 37.6 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -78.5 | 121 | 170 | -67.9 | 173.6 | 0 | 0 | 0 | 107.1 | V321 I325 | V321-I323 HydrophobicContact CG1-CG1 4.27Å; I323-I325 PolarHBondContact O-N 3.22Å | ||
| 324 | N | 33.4 | Very low | 37.7 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -45.6 | 126.1 | 175.4 | -102.3 | -13.2 | 0 | 0 | 0 | 113.1 | ||||
| 325 | I | 36.9 | Very low | 37.7 | Very low | 163 Ų | 163 | 129 Ų | 129 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -86 | 109.6 | 157.8 | -64.8 | 172.9 | 0 | 0 | 0 | 106.8 | I323 T327 | I323-I325 PolarHBondContact O-N 3.22Å; I325-T327 PolarHBondContact O-N 2.99Å | ||
| 326 | G | 36.5 | Very low | 37.5 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -78.8 | 113.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 327 | T | 33.1 | Very low | 37.6 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -54 | 122.7 | 166.3 | -48.4 | 0 | 0 | 0 | 0 | 111.7 | I325 | I325-T327 PolarHBondContact O-N 2.99Š| ||
| 328 | I | 46.1 | Very low | 37.4 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -126.3 | 108.7 | 150.6 | -61.3 | 174.8 | 0 | 0 | 0 | 107.1 | ||||
| 329 | A | 39.1 | Very low | 37.4 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -68.4 | 124.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 330 | G | 38.6 | Very low | 37.2 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -134 | 104.3 | 168 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 331 | Q | 33.5 | Very low | 37.5 | Very low | 197 Ų | 197 | 128 Ų | 128 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -63 | 130.6 | 170.9 | -65.3 | 169.2 | 3.1 | 0 | 0 | 109.8 | ||||
| 332 | S | 39.8 | Very low | 37.6 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -166.3 | 142.7 | 141 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 333 | T | 40 | Very low | 37.5 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -100.5 | 161.1 | -161.4 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 334 | N | 39.1 | Very low | 37.3 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 72.8 | 123.1 | 153.6 | -58.9 | -24.2 | 0 | 0 | 0 | 119.2 | ||||
| 335 | G | 36.3 | Very low | 37.1 | Very low | 78 Ų | 78 | 126.7 Ų | 126.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 167.5 | 74.6 | 165 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 336 | V | 35.2 | Very low | 37.4 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -61.9 | 126.5 | 172.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 337 | A | 41.3 | Very low | 37.4 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -152.3 | 96 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 338 | S | 31.7 | Very low | 37.7 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -73 | 128.2 | 166.6 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 339 | T | 38.8 | Very low | 37.7 | Very low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -130.8 | 103 | 161.8 | -53.3 | 0 | 0 | 0 | 0 | 108.1 | I341 | T339-I341 HydrophobicContact CG2-CG1 4.25Š| ||
| 340 | V | 34 | Very low | 37.5 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -78.9 | 122.4 | 169.6 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 341 | I | 40.6 | Very low | 37.6 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -125.5 | 121.3 | 161.5 | -58.8 | 179.6 | 0 | 0 | 0 | 107 | T339 | T339-I341 HydrophobicContact CG2-CG1 4.25Š| ||
| 342 | P | 37.6 | Very low | 37.6 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -88.8 | 136 | 179.5 | 33.5 | -30.1 | 0 | 0 | 0 | 112.3 | ||||
| 343 | V | 31.9 | Very low | 37.5 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 32.4 | 108.3 | 133.3 | -172.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 344 | I | 38.7 | Very low | 37.4 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -122.3 | 121 | 147.3 | -63.1 | 179.1 | 0 | 0 | 0 | 108.1 | ||||
| 345 | Q | 31.2 | Very low | 37 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -66.4 | 136.9 | 172.1 | -68.2 | 163.8 | -43.4 | 0 | 0 | 110.7 | ||||
| 346 | S | 43.1 | Very low | 37.7 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -171.7 | 110.6 | 138.8 | 35.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 347 | N | 35.8 | Very low | 37.8 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | 19.5 | 109.9 | 144.3 | -61.5 | -9.4 | 0 | 0 | 0 | 120 | ||||
| 348 | I | 38.4 | Very low | 37.6 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -98 | 124.5 | 157.1 | -58.5 | 168.5 | 0 | 0 | 0 | 108.2 | ||||
| 349 | P | 46.2 | Very low | 37.8 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -84.3 | 119.9 | 156.4 | 29.2 | -23.7 | 0 | 0 | 0 | 109.7 | T351 | P349-T351 PolarHBondContact O-N 2.7Š| ||
| 350 | I | 36 | Very low | 37.5 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -72.3 | 108.3 | 169.1 | -62.9 | 167.4 | 0 | 0 | 0 | 107.4 | ||||
| 351 | T | 41.2 | Very low | 38.1 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -103.6 | 111.1 | 161.1 | 45.7 | 0 | 0 | 0 | 0 | 109.6 | P349 | P349-T351 PolarHBondContact O-N 2.7Š| ||
| 352 | Q | 32.1 | Very low | 38.1 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -57.8 | 128.8 | 162.1 | -66.2 | 172.4 | -18.8 | 0 | 0 | 109.3 | ||||
| 353 | S | 38.5 | Very low | 37.9 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -155.8 | 107.2 | 156.9 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 354 | S | 38.7 | Very low | 38 | Very low | 104 Ų | 104 | 150.1 Ų | 150.1 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -21 | 134.5 | 163.8 | 49.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 355 | M | 29.6 | Very low | 37.7 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -67.9 | 143.4 | 153.6 | -63.9 | -159.5 | -167.3 | 0 | 0 | 110.7 | ||||
| 356 | P | 51.6 | Low | 37.7 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -105.7 | 119.7 | 145.8 | 31 | -20.8 | 0 | 0 | 0 | 109.9 | G358 | P356-G358 PolarHBondContact O-N 3.05Š| ||
| 357 | M | 36.7 | Very low | 37.2 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -46.1 | 122.5 | 156 | -85.2 | -104.5 | -69.2 | 0 | 0 | 110.1 | ||||
| 358 | G | 36.9 | Very low | 37.2 | Very low | 68 Ų | 68 | 146.2 Ų | 146.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -155 | 90.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P356 | P356-G358 PolarHBondContact O-N 3.05Š| ||
| 359 | Q | 37.2 | Very low | 37.5 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | 62.7 | 105.2 | 147.2 | -69.3 | 179.2 | 7.4 | 0 | 0 | 120.4 | ||||
| 360 | L | 31.6 | Very low | 36.9 | Very low | 166 Ų | 166 | 147 Ų | 147 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 133.1 | 147.4 | -74.2 | 128.3 | 0 | 0 | 0 | 111.9 | ||
| 361 | P | 46.7 | Very low | 36.6 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 133 | 150.9 | 22.9 | -12 | 0 | 0 | 0 | 110 | ||
| 362 | K | 40.9 | Very low | 36.4 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 145.9 | -174 | -65.5 | 160.9 | 178.3 | 173.5 | 0 | 111.8 | A364 | K362-A364 PolarHBondContact O-N 3.24Š|
| 363 | R | 32.4 | Very low | 36.8 | Very low | 234 Ų | 234 | 140 Ų | 140 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -36.3 | 119.1 | 163.2 | -74.1 | 173.2 | 154.5 | 173.3 | -7.3 | 111.7 | V365 | R363-V365 HydrophobicContact CB-CG2 4.17Å; R363-V365 PolarHBondContact O-N 3.22Å | ||
| 364 | A | 34.2 | Very low | 36.9 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | -82.7 | 98.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | K362 L366 | K362-A364 PolarHBondContact O-N 3.24Å; A364-L366 PolarHBondContact O-N 3.23Å | ||
| 365 | V | 33 | Very low | 36.7 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 64% | 0.642 | 82% | 0.816 | S | S | * | * | trans | -83.1 | 105.4 | 165.6 | -179.7 | 0 | 0 | 0 | 0 | 106.2 | R363 I367 | R363-V365 HydrophobicContact CB-CG2 4.17Å; R363-V365 PolarHBondContact O-N 3.22Å; V365-I367 HydrophobicContact CG1-CG1 3.71Å; V365-I367 PolarHBondContact O-N 3.5Å | ||
| 366 | L | 30.6 | Very low | 37.1 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -77.5 | 98.6 | 164.6 | -169 | 78.8 | 0 | 0 | 0 | 107.2 | A364 L368 | A364-L366 PolarHBondContact O-N 3.23Å; L366-L368 HydrophobicContact CD2-CD1 4.01Å; L366-L368 HydrophobicContact CD2-CD2 4.45Å; L366-L368 HydrophobicContact CD2-CG 3.99Å; L366-L368 HydrophobicContact CG-CG 4.31Å; L366-L368 PolarHBondContact O-N 3.47Å | ||
| 367 | I | 33 | Very low | 36.3 | Very low | 145 Ų | 145 | 141 Ų | 141 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | -77.1 | 99.4 | 167.5 | -57.6 | 179.4 | 0 | 0 | 0 | 106.5 | V365 | V365-I367 HydrophobicContact CG1-CG1 3.71Å; V365-I367 PolarHBondContact O-N 3.5Å | ||
| 368 | L | 36.3 | Very low | 36.1 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | trans | -80.4 | 122.7 | 162.5 | -76.7 | 156.4 | 0 | 0 | 0 | 107.6 | L366 N370 | L366-L368 HydrophobicContact CD2-CD1 4.01Å; L366-L368 HydrophobicContact CD2-CD2 4.45Å; L366-L368 HydrophobicContact CD2-CG 3.99Å; L366-L368 HydrophobicContact CG-CG 4.31Å; L366-L368 PolarHBondContact O-N 3.47Å; L368-N370 PolarHBondContact O-N 3.32Å; L368-N370 VanDerWaalsContact O-N 3.12Å | ||
| 369 | P | 44.2 | Very low | 36.1 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -65.9 | 115.6 | 168.8 | 25.5 | -29.4 | 0 | 0 | 0 | 108.4 | A371 | P369-A371 PolarHBondContact O-N 3.5Š| ||
| 370 | N | 33.4 | Very low | 36 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -62.6 | 110.2 | 167.3 | -150.9 | 14.7 | 0 | 0 | 0 | 107.4 | L368 | L368-N370 PolarHBondContact O-N 3.32Å; L368-N370 VanDerWaalsContact O-N 3.12Å | ||
| 371 | A | 30.6 | Very low | 36.2 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -135.2 | 96.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | P369 | P369-A371 PolarHBondContact O-N 3.5Š| ||
| 372 | S | 36.6 | Very low | 35.7 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -132.3 | 158.7 | 163.9 | -135.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 373 | P | 40.3 | Very low | 35.7 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | -112.3 | 155.5 | -111.5 | 14.4 | 8.1 | 0 | 0 | 0 | 111.1 | |||||
| 374 | A | 40 | Very low | 35.8 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -121.3 | 114.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 375 | N | 35.8 | Very low | 35.9 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | trans | -52 | 152.9 | 154.7 | -72.9 | -33.2 | 0 | 0 | 0 | 111.2 | ||||
| 376 | G | 37.6 | Very low | 36 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 147.7 | 79.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 377 | E | 34.8 | Very low | 36.3 | Very low | 201 Ų | 201 | 127.5 Ų | 127.5 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | 42.5 | 120.8 | 91.2 | -73.4 | -164.9 | 152 | 0 | 0 | 114.3 | |||||
| 378 | G | 32.4 | Very low | 36.8 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 94 | 98.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 379 | V | 37.1 | Very low | 36.7 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | 156.6 | 108.3 | 104.4 | 172.5 | 0 | 0 | 0 | 0 | 107.8 | S381 | V379-S381 PolarHBondContact O-N 2.95Š| |||
| 380 | S | 33.4 | Very low | 36.6 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -65.2 | 122.3 | 166.2 | 156.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 381 | S | 36.9 | Very low | 36.7 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -137.2 | 100.1 | 164 | -56.2 | 0 | 0 | 0 | 0 | 108.8 | V379 | V379-S381 PolarHBondContact O-N 2.95Š| ||
| 382 | Q | 35.2 | Very low | 37.7 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -82.9 | 171 | 154.7 | -88.8 | -157.6 | -2.7 | 0 | 0 | 109.1 | ||||
| 383 | P | 42 | Very low | 37.8 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 60% | 0.597 | 82% | 0.818 | S | S | * | * | cis | -136.5 | 163.5 | -29.8 | 32.6 | -14.7 | 0 | 0 | 0 | 112.5 | ||||
| 384 | V | 33.7 | Very low | 37.6 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -132.1 | 94 | 154.6 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 385 | T | 36.3 | Very low | 37.5 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -99.8 | 103.4 | 164.1 | 26.5 | 0 | 0 | 0 | 0 | 108.3 | H387 | T385-H387 PolarHBondContact O-N 3.47Š| ||
| 386 | T | 36.6 | Very low | 37.6 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | trans | -75.8 | 105 | 166.7 | -37.5 | 0 | 0 | 0 | 0 | 107.9 | V388 | T386-V388 PolarHBondContact O-N 3.41Š| ||
| 387 | H | 35.7 | Very low | 37.6 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 83% | 0.833 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 117.3 | 163.7 | -102.9 | -78.3 | 0 | 0 | 0 | 108.6 | T385 | T385-H387 PolarHBondContact O-N 3.47Š|
| 388 | V | 44.9 | Very low | 37.8 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -101 | 124.7 | 164.9 | -180 | 0 | 0 | 0 | 0 | 107.7 | T386 | T386-V388 PolarHBondContact O-N 3.41Š|
| 389 | N | 32.6 | Very low | 38.2 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 142.2 | 175.4 | -74.2 | -32.4 | 0 | 0 | 0 | 112.4 | ||
| 390 | K | 42.2 | Very low | 38.3 | Very low | 200 Ų | 200 | 145.3 Ų | 145.3 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -144.6 | 99.5 | 145.8 | -123.4 | 178.3 | 178.2 | -177 | 0 | 105.4 | ||||
| 391 | L | 36.7 | Very low | 38.7 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | 43.9 | 83.1 | 86.3 | -90.4 | 148.5 | 0 | 0 | 0 | 112.2 | |||||
| 392 | T | 51.2 | Low | 38.8 | Very low | 214 Ų | 214 | 151.5 Ų | 151.5 | 100% | 1.313 | 83% | 0.827 | S | S | * | * | -173.1 | 0 | 112.3 | 30.3 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 392 of 392 residues in 177.6 ms
(Link to these results)