| 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 | 54.2 | Low | 78.2 | Confident | 242 Ų | 242 | 125.1 Ų | 125.1 | 100% | 1.192 | 65% | 0.649 | S | S | * | * | 0 | 123.4 | 0 | -64.4 | -177.7 | 173.3 | 0 | 0 | 107.3 | |||||
| 2 | K | 74.6 | Confident | 77.6 | Confident | 209 Ų | 209 | 122.9 Ų | 122.9 | 91% | 0.909 | 64% | 0.638 | S | S | * | * | trans | -94.9 | 109.4 | -175.8 | -71.3 | 156.4 | 177.8 | 167.9 | 0 | 107.4 | P4 | K2-P4 WeakPolarHBondContact O-CD 3.43Š| ||
| 3 | V | 77.4 | Confident | 77.1 | Confident | 96 Ų | 96 | 116.6 Ų | 116.6 | 58% | 0.582 | 62% | 0.621 | S | S | * | * | trans | -66.7 | 121.1 | 173 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | V5 C7 L8 | V3-V5 PolarHBondContact O-N 3.31Å; V3-C7 HydrophobicContact CG1-CB 3.88Å; V3-L8 HydrophobicContact CG1-CD2 4.41Å; V3-L8 HydrophobicContact CG1-CG 4.48Å | ||
| 4 | P | 86.5 | Confident | 76.1 | Confident | 73 Ų | 73 | 114 Ų | 114 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | trans | -65.8 | 138.7 | -178.2 | 27.4 | -32.8 | 0 | 0 | 0 | 109 | K2 W6 C7 | K2-P4 WeakPolarHBondContact O-CD 3.43Å; P4-W6 PolarHBondContact O-N 3.42Å; P4-C7 HydrophobicContact CG-CB 4.13Å; P4-C7 VanDerWaalsContact CG-SG 3.51Å; P4-C7 WeakPolarHBondContact O-CA 3.37Å; P4-C7 WeakPolarHBondContact O-CB 3.38Å; P4-C7 PolarHBondContact O-N 3.47Å | ||
| 5 | V | 83.3 | Confident | 75 | Confident | 107 Ų | 107 | 115.5 Ų | 115.5 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.7 | -31.2 | -177.6 | 175.9 | 0 | 0 | 0 | 0 | 112 | V3 C7 L8 V9 | V3-V5 PolarHBondContact O-N 3.31Å; V5-C7 VanDerWaalsContact C-N 3.33Å; V5-C7 PolarHBondContact O-N 3.46Å; V5-L8 WeakPolarHBondContact O-CB 3.39Å; V5-L8 PolarHBondContact O-N 3.17Å; V5-L8 VanDerWaalsContact O-N 3.07Å; V5-V9 WeakPolarHBondContact O-CG2 3.21Å; V5-V9 PolarHBondContact O-N 3.35Å |
| 6 | W | 82.5 | Confident | 73.8 | Confident | 210 Ų | 210 | 117.9 Ų | 117.9 | 80% | 0.795 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.6 | -36.5 | 173.3 | -67.4 | 82.1 | 0 | 0 | 0 | 113.6 | P4 L8 V9 V10 | P4-W6 PolarHBondContact O-N 3.42Å; W6-L8 VanDerWaalsContact C-N 3.3Å; W6-L8 PolarHBondContact O-N 3.1Å; W6-V9 PolarHBondContact O-N 3.43Å; W6-V10 VanDerWaalsContact O-CG2 3.31Å; W6-V10 WeakPolarHBondContact O-CG2 3.13Å; W6-V10 PolarHBondContact O-N 2.94Å |
| 7 | C | 81.9 | Confident | 72.3 | Confident | 59 Ų | 59 | 116.1 Ų | 116.1 | 40% | 0.399 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.5 | -35.5 | 173.3 | -74.4 | 0 | 0 | 0 | 0 | 111.6 | V3 P4 V5 L11 | V3-C7 HydrophobicContact CG1-CB 3.88Å; P4-C7 HydrophobicContact CG-CB 4.13Å; P4-C7 VanDerWaalsContact CG-SG 3.51Å; P4-C7 WeakPolarHBondContact O-CA 3.37Å; P4-C7 WeakPolarHBondContact O-CB 3.38Å; P4-C7 PolarHBondContact O-N 3.47Å; V5-C7 VanDerWaalsContact C-N 3.33Å; V5-C7 PolarHBondContact O-N 3.46Å; C7-L11 VanDerWaalsContact O-CB 3.28Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 WeakPolarHBondContact O-CD1 3.22Å; C7-L11 WeakPolarHBondContact O-CG 3Å; C7-L11 PolarHBondContact O-N 3.05Å |
| 8 | L | 82.1 | Confident | 71.1 | Confident | 103 Ų | 103 | 115.7 Ų | 115.7 | 54% | 0.539 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.9 | -40.3 | 175.1 | -62.9 | 177.3 | 0 | 0 | 0 | 111.2 | V3 V5 W6 L11 L12 | V3-L8 HydrophobicContact CG1-CD2 4.41Å; V3-L8 HydrophobicContact CG1-CG 4.48Å; V5-L8 WeakPolarHBondContact O-CB 3.39Å; V5-L8 PolarHBondContact O-N 3.17Å; V5-L8 VanDerWaalsContact O-N 3.07Å; W6-L8 VanDerWaalsContact C-N 3.3Å; W6-L8 PolarHBondContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 3.16Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 PolarHBondContact O-N 3.4Å |
| 9 | V | 80.8 | Confident | 69.9 | Low | 92 Ų | 92 | 113.9 Ų | 113.9 | 56% | 0.558 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.5 | -41.1 | 176.6 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | V5 W6 L12 G13 | V5-V9 WeakPolarHBondContact O-CG2 3.21Å; V5-V9 PolarHBondContact O-N 3.35Å; W6-V9 PolarHBondContact O-N 3.43Å; V9-L12 PolarHBondContact O-N 3.36Å; V9-G13 PolarHBondContact O-N 3.14Å |
| 10 | V | 80.5 | Confident | 68.9 | Low | 89 Ų | 89 | 118.5 Ų | 118.5 | 54% | 0.539 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.2 | -44.3 | 176 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | W6 L12 G13 C14 | W6-V10 VanDerWaalsContact O-CG2 3.31Å; W6-V10 WeakPolarHBondContact O-CG2 3.13Å; W6-V10 PolarHBondContact O-N 2.94Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.36Å; V10-G13 PolarHBondContact O-N 3.05Å; V10-C14 WeakPolarHBondContact O-CB 3.21Å; V10-C14 PolarHBondContact O-N 3.01Å; V10-C14 PolarHBondContact O-SG 3.38Å |
| 11 | L | 76.4 | Confident | 68.3 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.3 | -38.8 | 175.7 | -73.6 | 170 | 0 | 0 | 0 | 111.7 | C7 L8 C14 L15 | C7-L11 VanDerWaalsContact O-CB 3.28Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 WeakPolarHBondContact O-CD1 3.22Å; C7-L11 WeakPolarHBondContact O-CG 3Å; C7-L11 PolarHBondContact O-N 3.05Å; L8-L11 PolarHBondContact O-N 3.16Å; L11-C14 PolarHBondContact O-N 3.11Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CG 2.88Å; L11-L15 PolarHBondContact O-N 2.83Å |
| 12 | L | 71.4 | Confident | 69.1 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.8 | -45.2 | 172.9 | -152.2 | 73.2 | 0 | 0 | 0 | 110 | L8 V9 V10 C14 L15 F16 | L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 PolarHBondContact O-N 3.4Å; V9-L12 PolarHBondContact O-N 3.36Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.36Å; L12-C14 VanDerWaalsContact C-N 3.3Å; L12-C14 PolarHBondContact O-N 2.71Å; L12-L15 PolarHBondContact O-N 3Å; L12-F16 HydrophobicContact CD1-CD2 3.96Å; L12-F16 HydrophobicContact CD1-CE2 3.31Å; L12-F16 HydrophobicContact CD1-CZ 4.18Å; L12-F16 HydrophobicContact CD2-CE2 4.35Å; L12-F16 HydrophobicContact CG-CD2 3.71Å; L12-F16 HydrophobicContact CG-CE2 3.45Å; L12-F16 VanDerWaalsContact CG-CE2 3.45Å; L12-F16 HydrophobicContact CG-CZ 4.3Å; L12-F16 VanDerWaalsContact O-CB 3.26Å; L12-F16 WeakPolarHBondContact O-CB 3.5Å; L12-F16 WeakPolarHBondContact O-CD2 3.45Å; L12-F16 PolarHBondContact O-N 3.39Å |
| 13 | G | 70.4 | Confident | 69.3 | Low | 41 Ų | 41 | 102.3 Ų | 102.3 | 42% | 0.423 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58 | -39.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V9 V10 T17 | V9-G13 PolarHBondContact O-N 3.14Å; V10-G13 PolarHBondContact O-N 3.05Å; G13-T17 PolarHBondContact O-N 3.43Å |
| 14 | C | 64.1 | Low | 69.4 | Low | 80 Ų | 80 | 104.3 Ų | 104.3 | 54% | 0.541 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -78 | -24.6 | 178.7 | -64.4 | 0 | 0 | 0 | 0 | 114.2 | V10 L11 L12 T17 | V10-C14 WeakPolarHBondContact O-CB 3.21Å; V10-C14 PolarHBondContact O-N 3.01Å; V10-C14 PolarHBondContact O-SG 3.38Å; L11-C14 PolarHBondContact O-N 3.11Å; L12-C14 VanDerWaalsContact C-N 3.3Å; L12-C14 PolarHBondContact O-N 2.71Å; C14-T17 PolarHBondContact O-OG1 3.39Å |
| 15 | L | 59.6 | Low | 69.2 | Low | 137 Ų | 137 | 103 Ų | 103 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -86.1 | -23.4 | 174.3 | -68.9 | 169.4 | 0 | 0 | 0 | 111.9 | L11 L12 | L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CG 2.88Å; L11-L15 PolarHBondContact O-N 2.83Å; L12-L15 PolarHBondContact O-N 3Å |
| 16 | F | 55.4 | Low | 69.1 | Low | 154 Ų | 154 | 101.2 Ų | 101.2 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -96.4 | -6.1 | 177.5 | -76.6 | -108.1 | 0 | 0 | 0 | 113.2 | L12 P18 | L12-F16 HydrophobicContact CD1-CD2 3.96Å; L12-F16 HydrophobicContact CD1-CE2 3.31Å; L12-F16 HydrophobicContact CD1-CZ 4.18Å; L12-F16 HydrophobicContact CD2-CE2 4.35Å; L12-F16 HydrophobicContact CG-CD2 3.71Å; L12-F16 HydrophobicContact CG-CE2 3.45Å; L12-F16 VanDerWaalsContact CG-CE2 3.45Å; L12-F16 HydrophobicContact CG-CZ 4.3Å; L12-F16 VanDerWaalsContact O-CB 3.26Å; L12-F16 WeakPolarHBondContact O-CB 3.5Å; L12-F16 WeakPolarHBondContact O-CD2 3.45Å; L12-F16 PolarHBondContact O-N 3.39Å; F16-P18 WeakPolarHBondContact O-CD 3.41Å; F16-P18 VanDerWaalsContact O-N 3.11Å |
| 17 | T | 48.1 | Very low | 69.3 | Low | 86 Ų | 86 | 91.2 Ų | 91.2 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -64.2 | 110.4 | 152.3 | 48.5 | 0 | 0 | 0 | 0 | 105 | G13 C14 A19 | G13-T17 PolarHBondContact O-N 3.43Å; C14-T17 PolarHBondContact O-OG1 3.39Å; T17-A19 PolarHBondContact O-N 2.95Å |
| 18 | P | 51.3 | Low | 69.4 | Low | 110 Ų | 110 | 92 Ų | 92 | 71% | 0.714 | 52% | 0.522 | S | S | * | . | trans | -52.5 | 118.9 | 171.5 | 24.3 | -31.4 | 0 | 0 | 0 | 104.2 | F16 R20 | F16-P18 WeakPolarHBondContact O-CD 3.41Å; F16-P18 VanDerWaalsContact O-N 3.11Å; P18-R20 VanDerWaalsContact C-N 3.3Å; P18-R20 PolarHBondContact O-N 2.94Å | ||
| 19 | A | 47.7 | Very low | 69.5 | Low | 82 Ų | 82 | 89.2 Ų | 89.2 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | trans | -44.2 | 111.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 103.6 | T17 C21 | T17-A19 PolarHBondContact O-N 2.95Å; A19-C21 PolarHBondContact O-N 3.35Å | ||
| 20 | R | 50.6 | Low | 69.7 | Low | 204 Ų | 204 | 85 Ų | 85 | 77% | 0.77 | 49% | 0.489 | S | S | * | . | trans | -60.2 | 98.4 | 175.9 | -74.3 | -162.7 | 177.5 | -145.5 | -0.1 | 102.1 | P18 D22 E53 | P18-R20 VanDerWaalsContact C-N 3.3Å; P18-R20 PolarHBondContact O-N 2.94Å; R20-D22 PolarHBondContact O-N 3.36Å; R20-E53 IonicContact NH1-OE1 3.94Å; R20-E53 PolarHBondContact NH1-OE1 3.18Å; R20-E53 VanDerWaalsContact NH1-OE1 3.1Å | ||
| 21 | C | 54.6 | Low | 69.9 | Low | 83 Ų | 83 | 81.4 Ų | 81.4 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | trans | -49.3 | 141.1 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 104.3 | A19 C23 | A19-C21 PolarHBondContact O-N 3.35Å; C21-C23 HydrophobicContact CB-CB 4.47Å; C21-C23 PolarHBondContact O-N 2.74Å; C21-C23 PolarHBondContact O-SG 3.39Å | ||
| 22 | D | 72.3 | Confident | 70.2 | Confident | 136 Ų | 136 | 82.5 Ų | 82.5 | 73% | 0.727 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 37.3 | 175.1 | -67.2 | -48.6 | 0 | 0 | 0 | 111.1 | R20 Q24 G25 E26 | R20-D22 PolarHBondContact O-N 3.36Å; D22-Q24 PolarHBondContact O-N 2.72Å; D22-Q24 VanDerWaalsContact O-N 3.17Å; D22-G25 CarbonylContact O-C 3.57Å; D22-G25 WeakPolarHBondContact O-CA 3.31Å; D22-G25 PolarHBondContact O-N 3.43Å; D22-E26 PolarHBondContact O-N 2.93Å |
| 23 | C | 78.7 | Confident | 70.7 | Confident | 12 Ų | 12 | 80.5 Ų | 80.5 | 8% | 0.081 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -60.6 | -23.8 | 177.3 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | C21 G25 E26 C27 C52 W62 | C21-C23 HydrophobicContact CB-CB 4.47Å; C21-C23 PolarHBondContact O-N 2.74Å; C21-C23 PolarHBondContact O-SG 3.39Å; C23-G25 VanDerWaalsContact C-N 3.31Å; C23-E26 PolarHBondContact O-N 2.89Å; C23-C27 WeakPolarHBondContact O-CB 3.37Å; C23-C27 PolarHBondContact O-N 3.08Å; C23-C27 PolarHBondContact O-SG 3.36Å; C23-C52 HydrophobicContact CB-CB 3.63Å; C23-C52 WeakPolarHBondContact CB-SG 2.75Å; C23-C52 WeakPolarHBondContact SG-CB 3.33Å; C23-C52 CovalentContact SG-SG 1.99Å; C23-C52 PolarHBondContact SG-SG 3.3Å; C23-W62 HydrophobicContact CB-CH2 3.26Å; C23-W62 HydrophobicContact CB-CZ2 3.72Å; C23-W62 HydrophobicContact CB-CZ3 3.93Å |
| 24 | Q | 80.3 | Confident | 71.1 | Confident | 137 Ų | 137 | 79.2 Ų | 79.2 | 64% | 0.64 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 168.6 | -173.3 | 177.8 | 10.3 | 0 | 0 | 111.1 | D22 V28 L49 | D22-Q24 PolarHBondContact O-N 2.72Å; D22-Q24 VanDerWaalsContact O-N 3.17Å; Q24-V28 VanDerWaalsContact O-CG2 3.24Å; Q24-V28 WeakPolarHBondContact O-CG2 3.44Å; Q24-V28 PolarHBondContact O-N 3.25Å; Q24-L49 HydrophobicContact CB-CD2 4Å; Q24-L49 HydrophobicContact CG-CD2 3.8Å |
| 25 | G | 81.6 | Confident | 71.7 | Confident | 45 Ų | 45 | 81.1 Ų | 81.1 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D22 C23 V28 A29 | D22-G25 CarbonylContact O-C 3.57Å; D22-G25 WeakPolarHBondContact O-CA 3.31Å; D22-G25 PolarHBondContact O-N 3.43Å; C23-G25 VanDerWaalsContact C-N 3.31Å; G25-V28 PolarHBondContact O-N 3.46Å; G25-A29 WeakPolarHBondContact O-CB 3.35Å; G25-A29 PolarHBondContact O-N 3.23Å |
| 26 | E | 81.6 | Confident | 72.3 | Confident | 70 Ų | 70 | 82.1 Ų | 82.1 | 33% | 0.327 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 179.8 | -61.6 | -177.2 | 166.8 | 0 | 0 | 112.4 | D22 C23 V28 A29 C30 W62 | D22-E26 PolarHBondContact O-N 2.93Å; C23-E26 PolarHBondContact O-N 2.89Å; E26-V28 PolarHBondContact O-N 3.48Å; E26-A29 PolarHBondContact O-N 3.36Å; E26-C30 WeakPolarHBondContact O-CB 3.45Å; E26-C30 PolarHBondContact O-N 3.49Å; E26-W62 HydrophobicContact CB-CH2 4.09Å; E26-W62 HydrophobicContact CB-CZ3 4.21Å; E26-W62 VanDerWaalsContact OE2-CH2 3.26Å; E26-W62 WeakPolarHBondContact OE2-CH2 3.45Å |
| 27 | C | 85.1 | Confident | 73 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.7 | -79 | 0 | 0 | 0 | 0 | 112.1 | C23 C30 G31 C48 L49 W62 | C23-C27 WeakPolarHBondContact O-CB 3.37Å; C23-C27 PolarHBondContact O-N 3.08Å; C23-C27 PolarHBondContact O-SG 3.36Å; C27-C30 WeakPolarHBondContact O-CB 3.36Å; C27-C30 PolarHBondContact O-N 2.98Å; C27-G31 PolarHBondContact O-N 2.99Å; C27-C48 VanDerWaalsContact CA-SG 3.53Å; C27-C48 HydrophobicContact CB-CB 3.86Å; C27-C48 WeakPolarHBondContact CB-SG 3.42Å; C27-C48 WeakPolarHBondContact SG-CB 3.23Å; C27-C48 PolarHBondContact SG-O 3.43Å; C27-C48 VanDerWaalsContact SG-O 3.32Å; C27-C48 CovalentContact SG-SG 2.05Å; C27-C48 PolarHBondContact SG-SG 3.44Å; C27-L49 HydrophobicContact CB-CD2 3.81Å; C27-L49 HydrophobicContact CB-CG 4.19Å; C27-W62 VanDerWaalsContact SG-CE3 3.53Å; C27-W62 WeakPolarHBondContact SG-CZ3 2.89Å |
| 28 | V | 84.9 | Confident | 73.7 | Confident | 75 Ų | 75 | 85.8 Ų | 85.8 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.1 | -41.1 | 177 | 173.3 | 0 | 0 | 0 | 0 | 111 | Q24 G25 E26 C30 G31 L32 T45 | Q24-V28 VanDerWaalsContact O-CG2 3.24Å; Q24-V28 WeakPolarHBondContact O-CG2 3.44Å; Q24-V28 PolarHBondContact O-N 3.25Å; G25-V28 PolarHBondContact O-N 3.46Å; E26-V28 PolarHBondContact O-N 3.48Å; V28-C30 VanDerWaalsContact C-N 3.31Å; V28-C30 PolarHBondContact O-N 3.29Å; V28-G31 PolarHBondContact O-N 3.24Å; V28-L32 PolarHBondContact O-N 2.84Å; V28-T45 HydrophobicContact CG2-CG2 4.36Å |
| 29 | A | 84.7 | Confident | 74.4 | Confident | 46 Ų | 46 | 84.8 Ų | 84.8 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G25 E26 L32 L33 | G25-A29 WeakPolarHBondContact O-CB 3.35Å; G25-A29 PolarHBondContact O-N 3.23Å; E26-A29 PolarHBondContact O-N 3.36Å; A29-L32 PolarHBondContact O-N 2.85Å; A29-L33 PolarHBondContact O-N 3.01Å |
| 30 | C | 85.1 | Confident | 75 | Confident | 3 Ų | 3 | 87.3 Ų | 87.3 | 2% | 0.02 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 170.9 | -95 | 0 | 0 | 0 | 0 | 113.4 | E26 C27 V28 L32 L33 L34 F43 C65 V69 | E26-C30 WeakPolarHBondContact O-CB 3.45Å; E26-C30 PolarHBondContact O-N 3.49Å; C27-C30 WeakPolarHBondContact O-CB 3.36Å; C27-C30 PolarHBondContact O-N 2.98Å; V28-C30 VanDerWaalsContact C-N 3.31Å; V28-C30 PolarHBondContact O-N 3.29Å; C30-L32 PolarHBondContact O-N 3.3Å; C30-L33 PolarHBondContact O-N 2.92Å; C30-L33 VanDerWaalsContact O-N 3.1Å; C30-L34 VanDerWaalsContact O-CB 3.31Å; C30-L34 WeakPolarHBondContact O-CB 3.49Å; C30-L34 PolarHBondContact O-N 3.38Å; C30-F43 HydrophobicContact CB-CE1 4.13Å; C30-F43 HydrophobicContact CB-CZ 3.73Å; C30-C65 HydrophobicContact CB-CB 3.81Å; C30-C65 WeakPolarHBondContact CB-SG 3.49Å; C30-C65 WeakPolarHBondContact SG-CA 3.39Å; C30-C65 WeakPolarHBondContact SG-CB 3.34Å; C30-C65 PolarHBondContact SG-O 3.46Å; C30-C65 CovalentContact SG-SG 2.02Å; C30-C65 PolarHBondContact SG-SG 3.32Å; C30-V69 WeakPolarHBondContact SG-CG2 3.38Å |
| 31 | G | 83.3 | Confident | 75.5 | Confident | 13 Ų | 13 | 87.4 Ų | 87.4 | 13% | 0.134 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -54.6 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C27 V28 Q35 | C27-G31 PolarHBondContact O-N 2.99Å; V28-G31 PolarHBondContact O-N 3.24Å; G31-Q35 WeakPolarHBondContact O-CB 3.11Å; G31-Q35 PolarHBondContact O-N 3.21Å |
| 32 | L | 84 | Confident | 76 | Confident | 119 Ų | 119 | 86.8 Ų | 86.8 | 62% | 0.623 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.4 | -41.1 | 176.5 | -63.9 | 173.8 | 0 | 0 | 0 | 113.2 | V28 A29 C30 Q36 | V28-L32 PolarHBondContact O-N 2.84Å; A29-L32 PolarHBondContact O-N 2.85Å; C30-L32 PolarHBondContact O-N 3.3Å; L32-Q36 PolarHBondContact O-N 3.1Å |
| 33 | L | 81.6 | Confident | 76.1 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 30% | 0.298 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 176.9 | -79 | 165.6 | 0 | 0 | 0 | 111.9 | A29 C30 Q36 Q37 | A29-L33 PolarHBondContact O-N 3.01Å; C30-L33 PolarHBondContact O-N 2.92Å; C30-L33 VanDerWaalsContact O-N 3.1Å; L33-Q36 WeakPolarHBondContact O-CB 3.48Å; L33-Q36 PolarHBondContact O-N 2.93Å; L33-Q37 PolarHBondContact O-N 3.2Å |
| 34 | L | 78.5 | Confident | 76.4 | Confident | 15 Ų | 15 | 84.8 Ų | 84.8 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -77.7 | -32.4 | -176.8 | -140.5 | 78.8 | 0 | 0 | 0 | 112.4 | C30 Q36 Q37 Q38 L39 F43 | C30-L34 VanDerWaalsContact O-CB 3.31Å; C30-L34 WeakPolarHBondContact O-CB 3.49Å; C30-L34 PolarHBondContact O-N 3.38Å; L34-Q36 PolarHBondContact O-N 2.93Å; L34-Q37 CarbonylContact O-C 3.58Å; L34-Q37 PolarHBondContact O-N 3.35Å; L34-Q37 VanDerWaalsContact O-N 3.09Å; L34-Q38 PolarHBondContact O-N 3.49Å; L34-L39 HydrophobicContact CD1-CB 4.44Å; L34-L39 HydrophobicContact CD1-CD2 4.2Å; L34-L39 HydrophobicContact CD2-CB 4.17Å; L34-L39 HydrophobicContact CD2-CD2 4.16Å; L34-L39 HydrophobicContact CD2-CG 4.46Å; L34-L39 WeakPolarHBondContact CD2-O 3.21Å; L34-L39 HydrophobicContact CG-CB 3.95Å; L34-L39 HydrophobicContact CG-CD2 4.36Å; L34-L39 PolarHBondContact O-N 2.97Å; L34-F43 HydrophobicContact CD2-CB 3.09Å; L34-F43 HydrophobicContact CD2-CD1 4.06Å; L34-F43 HydrophobicContact CD2-CD2 4.08Å; L34-F43 HydrophobicContact CD2-CG 3.5Å; L34-F43 VanDerWaalsContact CD2-CG 3.5Å |
| 35 | Q | 77 | Confident | 76.5 | Confident | 119 Ų | 119 | 80.4 Ų | 80.4 | 56% | 0.556 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.5 | -33.2 | 167.7 | -172.7 | 178.3 | -31 | 0 | 0 | 111.5 | G31 | G31-Q35 WeakPolarHBondContact O-CB 3.11Å; G31-Q35 PolarHBondContact O-N 3.21Å |
| 36 | Q | 72.8 | Confident | 76.6 | Confident | 158 Ų | 158 | 83.5 Ų | 83.5 | 74% | 0.738 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -70.6 | -34.2 | 173.4 | -166.3 | -165.6 | 79 | 0 | 0 | 112.3 | L32 L33 L34 | L32-Q36 PolarHBondContact O-N 3.1Å; L33-Q36 WeakPolarHBondContact O-CB 3.48Å; L33-Q36 PolarHBondContact O-N 2.93Å; L34-Q36 PolarHBondContact O-N 2.93Å |
| 37 | Q | 69.6 | Low | 76.7 | Confident | 145 Ų | 145 | 82.4 Ų | 82.4 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 11 | -177.2 | -70.4 | -160.5 | 12 | 0 | 0 | 115.2 | L33 L34 L39 | L33-Q37 PolarHBondContact O-N 3.2Å; L34-Q37 CarbonylContact O-C 3.58Å; L34-Q37 PolarHBondContact O-N 3.35Å; L34-Q37 VanDerWaalsContact O-N 3.09Å; Q37-L39 PolarHBondContact O-N 3.13Å; Q37-L39 VanDerWaalsContact O-N 3.14Å |
| 38 | Q | 61.9 | Low | 76.6 | Confident | 172 Ų | 172 | 82.4 Ų | 82.4 | 80% | 0.804 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 25.9 | 177.4 | -72 | -81.5 | -13.3 | 0 | 0 | 114 | L34 | L34-Q38 PolarHBondContact O-N 3.49Š|
| 39 | L | 66 | Low | 76.5 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 47% | 0.471 | 42% | 0.422 | S | S | . | . | trans | -104.8 | 41.1 | 174.6 | -161.3 | 80.4 | 0 | 0 | 0 | 110.1 | L34 Q37 E41 | L34-L39 HydrophobicContact CD1-CB 4.44Å; L34-L39 HydrophobicContact CD1-CD2 4.2Å; L34-L39 HydrophobicContact CD2-CB 4.17Å; L34-L39 HydrophobicContact CD2-CD2 4.16Å; L34-L39 HydrophobicContact CD2-CG 4.46Å; L34-L39 WeakPolarHBondContact CD2-O 3.21Å; L34-L39 HydrophobicContact CG-CB 3.95Å; L34-L39 HydrophobicContact CG-CD2 4.36Å; L34-L39 PolarHBondContact O-N 2.97Å; Q37-L39 PolarHBondContact O-N 3.13Å; Q37-L39 VanDerWaalsContact O-N 3.14Å; L39-E41 PolarHBondContact O-N 2.74Å | ||
| 40 | E | 61.3 | Low | 76.4 | Confident | 135 Ų | 135 | 82.5 Ų | 82.5 | 63% | 0.631 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -66.5 | -24.9 | 178.8 | -80.3 | -154.4 | 109.2 | 0 | 0 | 112.7 | A42 | E40-A42 PolarHBondContact O-N 3.4Š|
| 41 | E | 61.5 | Low | 76.3 | Confident | 206 Ų | 206 | 83.2 Ų | 83.2 | 96% | 0.963 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -74 | -10.1 | -172 | -122.3 | 166.4 | 165.1 | 0 | 0 | 114.2 | L39 | L39-E41 PolarHBondContact O-N 2.74Š|
| 42 | A | 63.9 | Low | 76.1 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 57% | 0.57 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -123.9 | 1.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E40 | E40-A42 PolarHBondContact O-N 3.4Š|
| 43 | F | 75.3 | Confident | 75.8 | Confident | 28 Ų | 28 | 84.6 Ų | 84.6 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | trans | -130.7 | 114.5 | -175 | -172.2 | -100.1 | 0 | 0 | 0 | 112.8 | C30 L34 C48 C65 | C30-F43 HydrophobicContact CB-CE1 4.13Å; C30-F43 HydrophobicContact CB-CZ 3.73Å; L34-F43 HydrophobicContact CD2-CB 3.09Å; L34-F43 HydrophobicContact CD2-CD1 4.06Å; L34-F43 HydrophobicContact CD2-CD2 4.08Å; L34-F43 HydrophobicContact CD2-CG 3.5Å; L34-F43 VanDerWaalsContact CD2-CG 3.5Å; F43-C48 HydrophobicContact CE2-CB 4.04Å; F43-C48 HydrophobicContact CZ-CB 3.81Å; F43-C65 HydrophobicContact CE2-CB 3.85Å; F43-C65 HydrophobicContact CZ-CB 4.17Å | ||
| 44 | D | 83.8 | Confident | 75.4 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 42% | 0.422 | 44% | 0.443 | S | S | . | . | trans | -103.7 | 121.1 | 168 | -171.8 | -16.1 | 0 | 0 | 0 | 109.1 | I46 V47 C48 | D44-I46 PolarHBondContact O-N 3.41Å; D44-I46 WeakPolarHBondContact OD1-CB 3.33Å; D44-I46 PolarHBondContact OD1-N 3.07Å; D44-V47 HydrophobicContact CB-CB 4.01Å; D44-V47 HydrophobicContact CB-CG2 3.67Å; D44-V47 PolarHBondContact O-N 3.05Å; D44-C48 PolarHBondContact O-N 3.31Å; D44-C48 VanDerWaalsContact O-N 3.1Å | ||
| 45 | T | 83.9 | Confident | 74.3 | Confident | 44 Ų | 44 | 91.2 Ų | 91.2 | 27% | 0.27 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -31.6 | 178.7 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | V28 C48 L49 | V28-T45 HydrophobicContact CG2-CG2 4.36Å; T45-C48 WeakPolarHBondContact O-CB 3.47Å; T45-C48 PolarHBondContact O-N 2.84Å; T45-L49 VanDerWaalsContact O-CG 3.28Å; T45-L49 WeakPolarHBondContact O-CG 3.5Å; T45-L49 PolarHBondContact O-N 2.82Å; T45-L49 VanDerWaalsContact O-N 3.15Å |
| 46 | I | 83.2 | Confident | 73.2 | Confident | 111 Ų | 111 | 88.9 Ų | 88.9 | 57% | 0.569 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.2 | -39 | 179 | -59.8 | 169.8 | 0 | 0 | 0 | 110.1 | D44 L49 L50 | D44-I46 PolarHBondContact O-N 3.41Å; D44-I46 WeakPolarHBondContact OD1-CB 3.33Å; D44-I46 PolarHBondContact OD1-N 3.07Å; I46-L49 PolarHBondContact O-N 3.24Å; I46-L50 HydrophobicContact CG2-CD1 4.12Å; I46-L50 WeakPolarHBondContact O-CG 3.24Å; I46-L50 PolarHBondContact O-N 3.17Å |
| 47 | V | 83.4 | Confident | 72.1 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 29% | 0.285 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | D44 L49 L50 E51 T61 | D44-V47 HydrophobicContact CB-CB 4.01Å; D44-V47 HydrophobicContact CB-CG2 3.67Å; D44-V47 PolarHBondContact O-N 3.05Å; V47-L49 VanDerWaalsContact C-N 3.29Å; V47-L49 PolarHBondContact O-N 2.87Å; V47-L50 PolarHBondContact O-N 3.32Å; V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 VanDerWaalsContact CG1-OE1 3.31Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.34Å; V47-E51 WeakPolarHBondContact O-CB 3.26Å; V47-E51 WeakPolarHBondContact O-CG 3.16Å; V47-E51 PolarHBondContact O-N 2.9Å; V47-T61 HydrophobicContact CG1-CG2 4.24Å |
| 48 | C | 83.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -55.8 | -41.7 | 173 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | C27 F43 D44 T45 C52 | C27-C48 VanDerWaalsContact CA-SG 3.53Å; C27-C48 HydrophobicContact CB-CB 3.86Å; C27-C48 WeakPolarHBondContact CB-SG 3.42Å; C27-C48 WeakPolarHBondContact SG-CB 3.23Å; C27-C48 PolarHBondContact SG-O 3.43Å; C27-C48 VanDerWaalsContact SG-O 3.32Å; C27-C48 CovalentContact SG-SG 2.05Å; C27-C48 PolarHBondContact SG-SG 3.44Å; F43-C48 HydrophobicContact CE2-CB 4.04Å; F43-C48 HydrophobicContact CZ-CB 3.81Å; D44-C48 PolarHBondContact O-N 3.31Å; D44-C48 VanDerWaalsContact O-N 3.1Å; T45-C48 WeakPolarHBondContact O-CB 3.47Å; T45-C48 PolarHBondContact O-N 2.84Å; C48-C52 PolarHBondContact O-N 3.21Å |
| 49 | L | 83.1 | Confident | 71.4 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 177.7 | -67.8 | 171.7 | 0 | 0 | 0 | 112.2 | Q24 C27 T45 I46 V47 C52 E53 | Q24-L49 HydrophobicContact CB-CD2 4Å; Q24-L49 HydrophobicContact CG-CD2 3.8Å; C27-L49 HydrophobicContact CB-CD2 3.81Å; C27-L49 HydrophobicContact CB-CG 4.19Å; T45-L49 VanDerWaalsContact O-CG 3.28Å; T45-L49 WeakPolarHBondContact O-CG 3.5Å; T45-L49 PolarHBondContact O-N 2.82Å; T45-L49 VanDerWaalsContact O-N 3.15Å; I46-L49 PolarHBondContact O-N 3.24Å; V47-L49 VanDerWaalsContact C-N 3.29Å; V47-L49 PolarHBondContact O-N 2.87Å; L49-C52 PolarHBondContact O-N 3.3Å; L49-E53 PolarHBondContact O-N 2.88Å |
| 50 | L | 81 | Confident | 71.6 | Confident | 75 Ų | 75 | 81.1 Ų | 81.1 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 178.5 | -68.8 | 170.2 | 0 | 0 | 0 | 112.5 | I46 V47 G54 H55 V56 | I46-L50 HydrophobicContact CG2-CD1 4.12Å; I46-L50 WeakPolarHBondContact O-CG 3.24Å; I46-L50 PolarHBondContact O-N 3.17Å; V47-L50 PolarHBondContact O-N 3.32Å; L50-G54 PolarHBondContact O-N 2.66Å; L50-H55 PolarHBondContact O-N 1.99Å; L50-V56 HydrophobicContact CB-CG2 4.01Å |
| 51 | E | 82.9 | Confident | 72.1 | Confident | 18 Ų | 18 | 76 Ų | 76 | 8% | 0.084 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 172 | -75.6 | 177.8 | -153.1 | 0 | 0 | 111.2 | V47 G54 V56 T58 T61 W62 | V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 VanDerWaalsContact CG1-OE1 3.31Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.34Å; V47-E51 WeakPolarHBondContact O-CB 3.26Å; V47-E51 WeakPolarHBondContact O-CG 3.16Å; V47-E51 PolarHBondContact O-N 2.9Å; E51-G54 PolarHBondContact O-N 2.77Å; E51-V56 HydrophobicContact CG-CB 4.44Å; E51-V56 HydrophobicContact CG-CG2 4.4Å; E51-T58 WeakPolarHBondContact CG-O 3.07Å; E51-T61 PolarHBondContact OE1-OG1 3.44Å; E51-T61 PolarHBondContact OE2-N 3.31Å; E51-T61 PolarHBondContact OE2-OG1 3.02Å; E51-T61 VanDerWaalsContact OE2-OG1 3.08Å; E51-W62 HydrophobicContact CB-CB 4.04Å; E51-W62 WeakPolarHBondContact OE2-CB 3.11Å; E51-W62 PolarHBondContact OE2-N 2.94Å |
| 52 | C | 79.6 | Confident | 72.6 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 24% | 0.243 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 113 | C23 C48 L49 G54 | C23-C52 HydrophobicContact CB-CB 3.63Å; C23-C52 WeakPolarHBondContact CB-SG 2.75Å; C23-C52 WeakPolarHBondContact SG-CB 3.33Å; C23-C52 CovalentContact SG-SG 1.99Å; C23-C52 PolarHBondContact SG-SG 3.3Å; C48-C52 PolarHBondContact O-N 3.21Å; L49-C52 PolarHBondContact O-N 3.3Å; C52-G54 PolarHBondContact O-N 3.01Å |
| 53 | E | 79.1 | Confident | 73 | Confident | 125 Ų | 125 | 67.7 Ų | 67.7 | 58% | 0.584 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.8 | -7.2 | 178.9 | -69.3 | -159.6 | 137 | 0 | 0 | 112.9 | R20 L49 | R20-E53 IonicContact NH1-OE1 3.94Å; R20-E53 PolarHBondContact NH1-OE1 3.18Å; R20-E53 VanDerWaalsContact NH1-OE1 3.1Å; L49-E53 PolarHBondContact O-N 2.88Å |
| 54 | G | 72.1 | Confident | 73.1 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.8 | 27.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L50 E51 C52 | L50-G54 PolarHBondContact O-N 2.66Å; E51-G54 PolarHBondContact O-N 2.77Å; C52-G54 PolarHBondContact O-N 3.01Å |
| 55 | H | 56.2 | Low | 73 | Confident | 153 Ų | 153 | 65.1 Ų | 65.1 | 71% | 0.708 | 37% | 0.374 | S | S | * | . | trans | -104.5 | 6.5 | -177.3 | -81.9 | -22.7 | 0 | 0 | 0 | 116.2 | L50 | L50-H55 PolarHBondContact O-N 1.99Š| ||
| 56 | V | 52.2 | Low | 72.5 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | trans | -151.1 | 134.6 | 173.8 | -133.6 | 0 | 0 | 0 | 0 | 111.6 | L50 E51 T58 | L50-V56 HydrophobicContact CB-CG2 4.01Å; E51-V56 HydrophobicContact CG-CB 4.44Å; E51-V56 HydrophobicContact CG-CG2 4.4Å; V56-T58 VanDerWaalsContact C-N 3.28Å; V56-T58 PolarHBondContact O-N 3.33Å | ||
| 57 | S | 51.1 | Low | 72.1 | Confident | 129 Ų | 129 | 69.8 Ų | 69.8 | 90% | 0.902 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -77.8 | -4.8 | -173.1 | -43.9 | 0 | 0 | 0 | 0 | 114.8 | S59 | S57-S59 PolarHBondContact O-N 2.86Š|
| 58 | T | 54.9 | Low | 71.6 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 53% | 0.534 | 38% | 0.377 | S | S | . | . | trans | -92.2 | 90.2 | 179.7 | 52.7 | 0 | 0 | 0 | 0 | 108.9 | E51 V56 L60 | E51-T58 WeakPolarHBondContact CG-O 3.07Å; V56-T58 VanDerWaalsContact C-N 3.28Å; V56-T58 PolarHBondContact O-N 3.33Å; T58-L60 PolarHBondContact O-N 3Å | ||
| 59 | S | 61.9 | Low | 71.1 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 39% | 0.385 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 15.9 | -178.2 | 58.1 | 0 | 0 | 0 | 0 | 115.1 | S57 E63 | S57-S59 PolarHBondContact O-N 2.86Å; S59-E63 WeakPolarHBondContact CB-OE1 3.43Å; S59-E63 VanDerWaalsContact O-CB 3.23Å; S59-E63 WeakPolarHBondContact O-CB 2.94Å; S59-E63 VanDerWaalsContact O-CG 3.22Å; S59-E63 WeakPolarHBondContact O-CG 3.46Å; S59-E63 PolarHBondContact O-N 3.2Å; S59-E63 PolarHBondContact OG-OE1 3.04Å |
| 60 | L | 69.7 | Low | 70.6 | Confident | 131 Ų | 131 | 73.6 Ų | 73.6 | 69% | 0.686 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -75 | -35.2 | -162.3 | -137.5 | 146.2 | 0 | 0 | 0 | 111.7 | T58 V64 | T58-L60 PolarHBondContact O-N 3Å; L60-V64 WeakPolarHBondContact O-CG2 3.26Å; L60-V64 PolarHBondContact O-N 3.33Å |
| 61 | T | 72.3 | Confident | 69.7 | Low | 26 Ų | 26 | 76.4 Ų | 76.4 | 16% | 0.16 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -82.8 | -39.1 | -179.2 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | V47 E51 V64 C65 | V47-T61 HydrophobicContact CG1-CG2 4.24Å; E51-T61 PolarHBondContact OE1-OG1 3.44Å; E51-T61 PolarHBondContact OE2-N 3.31Å; E51-T61 PolarHBondContact OE2-OG1 3.02Å; E51-T61 VanDerWaalsContact OE2-OG1 3.08Å; T61-V64 PolarHBondContact O-N 3.15Å; T61-C65 WeakPolarHBondContact O-CB 3.04Å; T61-C65 PolarHBondContact O-N 3.28Å |
| 62 | W | 71.1 | Confident | 68.7 | Low | 25 Ų | 25 | 78.6 Ų | 78.6 | 10% | 0.095 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 175.9 | 175.8 | -125.6 | 0 | 0 | 0 | 112.8 | C23 E26 C27 E51 C65 R66 | C23-W62 HydrophobicContact CB-CH2 3.26Å; C23-W62 HydrophobicContact CB-CZ2 3.72Å; C23-W62 HydrophobicContact CB-CZ3 3.93Å; E26-W62 HydrophobicContact CB-CH2 4.09Å; E26-W62 HydrophobicContact CB-CZ3 4.21Å; E26-W62 VanDerWaalsContact OE2-CH2 3.26Å; E26-W62 WeakPolarHBondContact OE2-CH2 3.45Å; C27-W62 VanDerWaalsContact SG-CE3 3.53Å; C27-W62 WeakPolarHBondContact SG-CZ3 2.89Å; E51-W62 HydrophobicContact CB-CB 4.04Å; E51-W62 WeakPolarHBondContact OE2-CB 3.11Å; E51-W62 PolarHBondContact OE2-N 2.94Å; W62-C65 HydrophobicContact CE3-CB 4.41Å; W62-C65 PolarHBondContact O-N 3.32Å; W62-R66 WeakPolarHBondContact O-CB 3.12Å; W62-R66 PolarHBondContact O-N 3.47Å |
| 63 | E | 73.4 | Confident | 67.8 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 177 | -78.2 | -176.9 | -149 | 0 | 0 | 112.9 | S59 C65 R66 R67 | S59-E63 WeakPolarHBondContact CB-OE1 3.43Å; S59-E63 VanDerWaalsContact O-CB 3.23Å; S59-E63 WeakPolarHBondContact O-CB 2.94Å; S59-E63 VanDerWaalsContact O-CG 3.22Å; S59-E63 WeakPolarHBondContact O-CG 3.46Å; S59-E63 PolarHBondContact O-N 3.2Å; S59-E63 PolarHBondContact OG-OE1 3.04Å; E63-C65 VanDerWaalsContact C-N 3.33Å; E63-R66 PolarHBondContact O-N 2.02Å; E63-R67 VanDerWaalsContact O-CG 3.3Å; E63-R67 WeakPolarHBondContact O-CG 3.32Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE2-CZ 2.83Å; E63-R67 IonicContact OE2-NH2 3.1Å; E63-R67 PolarHBondContact OE2-NH2 3.1Å |
| 64 | V | 77.6 | Confident | 66.1 | Low | 52 Ų | 52 | 85 Ų | 85 | 32% | 0.315 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.5 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | L60 T61 R67 A68 | L60-V64 WeakPolarHBondContact O-CG2 3.26Å; L60-V64 PolarHBondContact O-N 3.33Å; T61-V64 PolarHBondContact O-N 3.15Å; V64-R67 PolarHBondContact O-N 3.1Å; V64-A68 WeakPolarHBondContact O-CB 3.37Å; V64-A68 PolarHBondContact O-N 3.22Å |
| 65 | C | 79.8 | Confident | 64.6 | Low | 2 Ų | 2 | 86.9 Ų | 86.9 | 1% | 0.014 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 174.6 | 172 | 0 | 0 | 0 | 0 | 112.1 | C30 F43 T61 W62 E63 R67 A68 V69 | C30-C65 HydrophobicContact CB-CB 3.81Å; C30-C65 WeakPolarHBondContact CB-SG 3.49Å; C30-C65 WeakPolarHBondContact SG-CA 3.39Å; C30-C65 WeakPolarHBondContact SG-CB 3.34Å; C30-C65 PolarHBondContact SG-O 3.46Å; C30-C65 CovalentContact SG-SG 2.02Å; C30-C65 PolarHBondContact SG-SG 3.32Å; F43-C65 HydrophobicContact CE2-CB 3.85Å; F43-C65 HydrophobicContact CZ-CB 4.17Å; T61-C65 WeakPolarHBondContact O-CB 3.04Å; T61-C65 PolarHBondContact O-N 3.28Å; W62-C65 HydrophobicContact CE3-CB 4.41Å; W62-C65 PolarHBondContact O-N 3.32Å; E63-C65 VanDerWaalsContact C-N 3.33Å; C65-R67 VanDerWaalsContact C-N 3.29Å; C65-R67 PolarHBondContact O-N 2.8Å; C65-A68 WeakPolarHBondContact O-CB 3.31Å; C65-A68 PolarHBondContact O-N 3.43Å; C65-A68 VanDerWaalsContact O-N 3.1Å; C65-V69 WeakPolarHBondContact O-CG2 3.31Å; C65-V69 PolarHBondContact O-N 2.05Å |
| 66 | R | 74.4 | Confident | 63.9 | Low | 109 Ų | 109 | 86.3 Ų | 86.3 | 41% | 0.411 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 178.3 | -180 | -178.1 | -80.6 | -168.5 | -6.9 | 112.3 | W62 E63 K70 | W62-R66 WeakPolarHBondContact O-CB 3.12Å; W62-R66 PolarHBondContact O-N 3.47Å; E63-R66 PolarHBondContact O-N 2.02Å; R66-K70 HydrophobicContact CG-CD 4.21Å; R66-K70 WeakPolarHBondContact O-CB 3.48Å; R66-K70 WeakPolarHBondContact O-CG 3.17Å; R66-K70 PolarHBondContact O-N 3.25Å |
| 67 | R | 74.9 | Confident | 63 | Low | 144 Ų | 144 | 91 Ų | 91 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 174.9 | -71.4 | 176.4 | -151.1 | 153.9 | 7.3 | 111 | E63 V64 C65 V69 K70 L71 | E63-R67 VanDerWaalsContact O-CG 3.3Å; E63-R67 WeakPolarHBondContact O-CG 3.32Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE2-CZ 2.83Å; E63-R67 IonicContact OE2-NH2 3.1Å; E63-R67 PolarHBondContact OE2-NH2 3.1Å; V64-R67 PolarHBondContact O-N 3.1Å; C65-R67 VanDerWaalsContact C-N 3.29Å; C65-R67 PolarHBondContact O-N 2.8Å; R67-V69 PolarHBondContact O-N 3.38Å; R67-K70 PolarHBondContact O-N 3.22Å; R67-L71 WeakPolarHBondContact O-CB 3.34Å; R67-L71 VanDerWaalsContact O-CG 3.23Å; R67-L71 WeakPolarHBondContact O-CG 2.99Å; R67-L71 PolarHBondContact O-N 3.13Å |
| 68 | A | 72.3 | Confident | 62.1 | Low | 27 Ų | 27 | 89.2 Ų | 89.2 | 22% | 0.223 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V64 C65 L71 S72 | V64-A68 WeakPolarHBondContact O-CB 3.37Å; V64-A68 PolarHBondContact O-N 3.22Å; C65-A68 WeakPolarHBondContact O-CB 3.31Å; C65-A68 PolarHBondContact O-N 3.43Å; C65-A68 VanDerWaalsContact O-N 3.1Å; A68-L71 PolarHBondContact O-N 2.86Å; A68-S72 PolarHBondContact O-N 2.93Å; A68-S72 PolarHBondContact O-OG 3.24Å |
| 69 | V | 73.6 | Confident | 61.5 | Low | 13 Ų | 13 | 94.6 Ų | 94.6 | 8% | 0.079 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.9 | -42 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | C30 C65 R67 L71 S72 H73 | C30-V69 WeakPolarHBondContact SG-CG2 3.38Å; C65-V69 WeakPolarHBondContact O-CG2 3.31Å; C65-V69 PolarHBondContact O-N 2.05Å; R67-V69 PolarHBondContact O-N 3.38Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 PolarHBondContact O-N 3.38Å; V69-S72 WeakPolarHBondContact CA-OG 3.5Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 PolarHBondContact O-OG 3.03Å; V69-H73 VanDerWaalsContact O-CB 3.31Å; V69-H73 WeakPolarHBondContact O-CB 3.31Å; V69-H73 PolarHBondContact O-CD2 3.14Å; V69-H73 PolarHBondContact O-N 3.38Å |
| 70 | K | 72 | Confident | 60 | Low | 133 Ų | 133 | 95.3 Ų | 95.3 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -37.6 | 174.7 | -77.9 | 174.8 | 179.5 | -174.9 | 0 | 112.5 | R66 R67 Q74 | R66-K70 HydrophobicContact CG-CD 4.21Å; R66-K70 WeakPolarHBondContact O-CB 3.48Å; R66-K70 WeakPolarHBondContact O-CG 3.17Å; R66-K70 PolarHBondContact O-N 3.25Å; R67-K70 PolarHBondContact O-N 3.22Å; K70-Q74 PolarHBondContact O-N 3.41Å; K70-Q74 VanDerWaalsContact O-N 3.13Å |
| 71 | L | 63.2 | Low | 58.3 | Low | 135 Ų | 135 | 93.1 Ų | 93.1 | 71% | 0.707 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71 | -33 | 177 | -69.9 | 171.4 | 0 | 0 | 0 | 112.5 | R67 A68 V69 | R67-L71 WeakPolarHBondContact O-CB 3.34Å; R67-L71 VanDerWaalsContact O-CG 3.23Å; R67-L71 WeakPolarHBondContact O-CG 2.99Å; R67-L71 PolarHBondContact O-N 3.13Å; A68-L71 PolarHBondContact O-N 2.86Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 PolarHBondContact O-N 3.38Å |
| 72 | S | 62 | Low | 56.4 | Low | 63 Ų | 63 | 95.8 Ų | 95.8 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -77.7 | -30.3 | 174.6 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | A68 V69 Q74 | A68-S72 PolarHBondContact O-N 2.93Å; A68-S72 PolarHBondContact O-OG 3.24Å; V69-S72 WeakPolarHBondContact CA-OG 3.5Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 PolarHBondContact O-OG 3.03Å; S72-Q74 VanDerWaalsContact C-N 3.32Å |
| 73 | H | 60.6 | Low | 55.1 | Low | 141 Ų | 141 | 102.8 Ų | 102.8 | 65% | 0.653 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -80.1 | -9.4 | 175.7 | -81.8 | -118.8 | 0 | 0 | 0 | 113.8 | V69 P75 | V69-H73 VanDerWaalsContact O-CB 3.31Å; V69-H73 WeakPolarHBondContact O-CB 3.31Å; V69-H73 PolarHBondContact O-CD2 3.14Å; V69-H73 PolarHBondContact O-N 3.38Å; H73-P75 WeakPolarHBondContact O-CD 3.28Å |
| 74 | Q | 43 | Very low | 53.1 | Low | 154 Ų | 154 | 107.9 Ų | 107.9 | 72% | 0.72 | 61% | 0.607 | S | S | * | * | trans | -77.9 | 95.8 | 168.6 | -167.1 | 101.6 | 12.5 | 0 | 0 | 107.4 | K70 S72 | K70-Q74 PolarHBondContact O-N 3.41Å; K70-Q74 VanDerWaalsContact O-N 3.13Å; S72-Q74 VanDerWaalsContact C-N 3.32Å | ||
| 75 | P | 41.3 | Very low | 51.1 | Low | 99 Ų | 99 | 114.9 Ų | 114.9 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | trans | -73.2 | 144 | 172.8 | 5.8 | 17.6 | 0 | 0 | 0 | 105.3 | H73 L77 | H73-P75 WeakPolarHBondContact O-CD 3.28Å; P75-L77 VanDerWaalsContact C-N 3.32Å; P75-L77 PolarHBondContact O-N 3.27Å | ||
| 76 | T | 39.7 | Very low | 49.2 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 86% | 0.859 | 68% | 0.678 | S | S | * | * | trans | -40.5 | 92.6 | 162.3 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | A78 | T76-A78 VanDerWaalsContact C-N 3.28Å; T76-A78 PolarHBondContact O-N 3.38Å | ||
| 77 | L | 35.2 | Very low | 47.1 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 89% | 0.885 | 70% | 0.697 | S | S | * | * | trans | -94.3 | 73.6 | 162 | -158.1 | 173.9 | 0 | 0 | 0 | 106.6 | P75 | P75-L77 VanDerWaalsContact C-N 3.32Å; P75-L77 PolarHBondContact O-N 3.27Å | ||
| 78 | A | 31.7 | Very low | 45.3 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | trans | -142.9 | 77.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 106 | T76 | T76-A78 VanDerWaalsContact C-N 3.28Å; T76-A78 PolarHBondContact O-N 3.38Å | ||
| 79 | E | 41.8 | Very low | 43.3 | Very low | 200 Ų | 200 | 131.2 Ų | 131.2 | 94% | 0.935 | 74% | 0.743 | S | S | * | * | trans | -69.8 | 122.7 | 167.2 | -174.4 | 172 | -178.7 | 0 | 0 | 108.3 | ||||
| 80 | G | 30.7 | Very low | 41.7 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | 165.6 | 87.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 81 | G | 34.2 | Very low | 40.2 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -61.7 | 149.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 82 | A | 31.5 | Very low | 38.5 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -161.3 | 118.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110 | F84 | A82-F84 HydrophobicContact CB-CD2 4.12Å; A82-F84 HydrophobicContact CB-CE2 4.34Å; A82-F84 PolarHBondContact O-N 3.09Å | ||
| 83 | L | 44.5 | Very low | 37.1 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | -53.1 | 105.9 | 156.7 | -98.8 | 162.6 | 0 | 0 | 0 | 110.5 | ||||
| 84 | F | 31.3 | Very low | 35.7 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -149.1 | 100.9 | 153.8 | -74.7 | -74.4 | 0 | 0 | 0 | 107.9 | A82 | A82-F84 HydrophobicContact CB-CD2 4.12Å; A82-F84 HydrophobicContact CB-CE2 4.34Å; A82-F84 PolarHBondContact O-N 3.09Å | ||
| 85 | K | 35.9 | Very low | 35.1 | Very low | 198 Ų | 198 | 144 Ų | 144 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | 64.5 | 117.1 | 86.9 | -146.8 | 176.9 | -169.5 | -179.3 | 0 | 112.1 | |||||
| 86 | R | 39.7 | Very low | 35 | Very low | 252 Ų | 252 | 147.3 Ų | 147.3 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | trans | -35.4 | 129.9 | 175.9 | -66.2 | 176.6 | -179.8 | 90.5 | 1.4 | 114 | ||||
| 87 | A | 30.2 | Very low | 34.7 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -165.5 | 130.3 | 141.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 88 | G | 37.2 | Very low | 35 | Very low | 78 Ų | 78 | 148.3 Ų | 148.3 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -78.3 | 153.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 89 | E | 29.2 | Very low | 35.4 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -162.2 | 139.1 | 143.1 | -153.3 | 155 | 99.4 | 0 | 0 | 108 | ||||
| 90 | E | 40.5 | Very low | 34.9 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 67% | 0.668 | 82% | 0.818 | S | S | * | * | trans | -82.7 | 144.1 | 178.8 | -153.2 | -95.7 | 144.7 | 0 | 0 | 108.2 | D92 | E90-D92 PolarHBondContact OE1-N 3.18Š| ||
| 91 | P | 40.8 | Very low | 35.2 | Very low | 109 Ų | 109 | 151 Ų | 151 | 71% | 0.708 | 82% | 0.821 | S | S | * | * | -152.4 | 124.8 | 114 | 32.3 | -12.2 | 0 | 0 | 0 | 115.7 | |||||
| 92 | D | 27.9 | Very low | 35.4 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 66% | 0.663 | 82% | 0.82 | S | S | * | * | 30.5 | 98 | 122.1 | -138.3 | 1.5 | 0 | 0 | 0 | 117.1 | E90 T94 | E90-D92 PolarHBondContact OE1-N 3.18Å; D92-T94 PolarHBondContact O-N 2.82Å | |||
| 93 | L | 32.2 | Very low | 35.5 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | trans | -78.2 | 98.4 | 169.8 | -73.1 | 172.5 | 0 | 0 | 0 | 109.7 | R95 | L93-R95 PolarHBondContact O-N 3.05Š| ||
| 94 | T | 30.7 | Very low | 34.7 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 76% | 0.761 | 83% | 0.826 | S | S | * | * | trans | -59 | 121.7 | 166 | 30.4 | 0 | 0 | 0 | 0 | 110.5 | D92 L96 | D92-T94 PolarHBondContact O-N 2.82Å; T94-L96 PolarHBondContact O-N 3.47Å | ||
| 95 | R | 31.6 | Very low | 34.8 | Very low | 239 Ų | 239 | 145.9 Ų | 145.9 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -54.1 | 124.8 | 170.1 | -63 | 168.2 | 80.7 | 101 | -3 | 108.6 | L93 D97 | L93-R95 PolarHBondContact O-N 3.05Å; R95-D97 PolarHBondContact O-N 2.92Å; R95-D97 VanDerWaalsContact O-N 3.11Å | ||
| 96 | L | 38.2 | Very low | 34.7 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -72.7 | 104 | 174.3 | -71.9 | 168.4 | 0 | 0 | 0 | 109.5 | T94 | T94-L96 PolarHBondContact O-N 3.47Š| ||
| 97 | D | 32.9 | Very low | 34.3 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -67.2 | 123.7 | 161.9 | -103.1 | -30.5 | 0 | 0 | 0 | 109.2 | R95 | R95-D97 PolarHBondContact O-N 2.92Å; R95-D97 VanDerWaalsContact O-N 3.11Å | ||
| 98 | L | 43 | Very low | 34.3 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -96.5 | 92.8 | 166 | -69.6 | 174.4 | 0 | 0 | 0 | 108 | ||||
| 99 | N | 39.8 | Very low | 34.2 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -149.4 | 106 | 158.3 | -152 | 14.8 | 0 | 0 | 0 | 110.4 | ||||
| 100 | A | 31.3 | Very low | 34.3 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -157.4 | 82.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 101 | E | 37.7 | Very low | 33.9 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -75.8 | 143.5 | 153.6 | -78.6 | -177.5 | 130.4 | 0 | 0 | 110.3 | ||||
| 102 | S | 37.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | 76.1 | 114.3 | 155.3 | 74.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 103 | A | 32.5 | Very low | 33.4 | Very low | 102 Ų | 102 | 149 Ų | 149 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | 154.4 | 114.3 | 112.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 104 | A | 29.1 | Very low | 33.3 | Very low | 104 Ų | 104 | 148.5 Ų | 148.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -173.4 | 111.9 | 140.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 105 | A | 32.4 | Very low | 33.4 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -71 | 147 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 106 | Q | 34.8 | Very low | 33.4 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | 165 | 148.7 | 111.3 | -85.2 | 172.5 | 32.7 | 0 | 0 | 112.1 | |||||
| 107 | H | 31 | Very low | 33.3 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 90.9 | 93.4 | 165.8 | -86.8 | -83.8 | 0 | 0 | 0 | 120.5 | ||||
| 108 | L | 29.6 | Very low | 33.2 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | trans | -62.6 | 159.8 | 149.1 | -115.4 | 88.6 | 0 | 0 | 0 | 111.4 | E110 | L108-E110 HydrophobicContact CD2-CG 4.25Š| ||
| 109 | P | 35.8 | Very low | 32.6 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | -127.8 | 156.2 | 90.7 | 30.3 | -16.7 | 0 | 0 | 0 | 114.7 | |||||
| 110 | E | 31.1 | Very low | 32.3 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -46.1 | 135.1 | 176 | -77.5 | 171.8 | 73.6 | 0 | 0 | 114.6 | L108 | L108-E110 HydrophobicContact CD2-CG 4.25Š| ||
| 111 | Q | 30.7 | Very low | 32.4 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -153 | 105.4 | 137.5 | -161.3 | 161.3 | -15 | 0 | 0 | 111.3 | ||||
| 112 | D | 29.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | trans | -5.1 | 141.6 | 158.2 | -134.2 | 6.9 | 0 | 0 | 0 | 122.5 | ||||
| 113 | Q | 30.6 | Very low | 32 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 64.7 | 108.2 | 152.3 | -71.4 | 170.1 | 73.7 | 0 | 0 | 120 | ||||
| 114 | D | 29.8 | Very low | 32 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | 177.3 | 141 | 89.3 | -107 | -29.9 | 0 | 0 | 0 | 112.5 | |||||
| 115 | E | 32.3 | Very low | 32.1 | Very low | 168 Ų | 168 | 159 Ų | 159 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -78.7 | 135.8 | -175.3 | -67.7 | -92.3 | 128.7 | 0 | 0 | 113.2 | ||||
| 116 | T | 32.5 | Very low | 32.1 | Very low | 106 Ų | 106 | 161.4 Ų | 161.4 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | trans | -158.6 | 119.8 | 140.5 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 117 | P | 36.1 | Very low | 32.2 | Very low | 113 Ų | 113 | 157 Ų | 157 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -78.6 | 128.2 | 171.9 | -14.7 | 30.6 | 0 | 0 | 0 | 112.1 | ||||
| 118 | W | 29.1 | Very low | 32.5 | Very low | 235 Ų | 235 | 152.9 Ų | 152.9 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -97 | 105.9 | 171.7 | -65.5 | 97.2 | 0 | 0 | 0 | 109.9 | ||||
| 119 | D | 31.6 | Very low | 32.8 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -65.1 | 131.2 | 172.2 | -97.5 | -50.8 | 0 | 0 | 0 | 112 | R121 | D119-R121 PolarHBondContact O-N 2.9Å; D119-R121 VanDerWaalsContact O-N 3.17Å | ||
| 120 | E | 33.7 | Very low | 32.9 | Very low | 189 Ų | 189 | 156.4 Ų | 156.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 94.2 | 175.3 | -170.1 | 171.5 | 105.6 | 0 | 0 | 110.5 | S122 | E120-S122 PolarHBondContact O-N 3.47Š| ||
| 121 | R | 32.3 | Very low | 32.9 | Very low | 226 Ų | 226 | 151.3 Ų | 151.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -89 | 94 | 173.3 | -169.3 | 176.4 | -79.1 | 138.3 | -3.1 | 110.5 | D119 V123 | D119-R121 PolarHBondContact O-N 2.9Å; D119-R121 VanDerWaalsContact O-N 3.17Å; R121-V123 HydrophobicContact CG-CG2 4.41Å; R121-V123 PolarHBondContact O-N 3.19Å | ||
| 122 | S | 34.2 | Very low | 32.9 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -64.8 | 123.7 | 161.9 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | E120 | E120-S122 PolarHBondContact O-N 3.47Š| ||
| 123 | V | 33.8 | Very low | 33 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -104.3 | 106.6 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | R121 | R121-V123 HydrophobicContact CG-CG2 4.41Å; R121-V123 PolarHBondContact O-N 3.19Å | ||
| 124 | Q | 32.1 | Very low | 33.3 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -80.3 | 117.5 | 174.7 | -158.8 | 169.6 | 23.9 | 0 | 0 | 108.4 | ||||
| 125 | Y | 30.7 | Very low | 33.5 | Very low | 202 Ų | 202 | 147 Ų | 147 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -87.9 | 114.8 | 179.5 | -178.7 | -106.7 | 0 | 0 | 0 | 110 | S127 | Y125-S127 WeakPolarHBondContact CE1-OG 3.48Š| ||
| 126 | D | 32.1 | Very low | 33.3 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -97.1 | 125.2 | 172.6 | -168.9 | -3.8 | 0 | 0 | 0 | 109.5 | ||||
| 127 | S | 37.8 | Very low | 33.2 | Very low | 83 Ų | 83 | 146.9 Ų | 146.9 | 58% | 0.58 | 79% | 0.788 | S | S | * | * | trans | -113.3 | 98 | 175.6 | -80.2 | 0 | 0 | 0 | 0 | 109.5 | Y125 | Y125-S127 WeakPolarHBondContact CE1-OG 3.48Š| ||
| 128 | S | 36.8 | Very low | 32.9 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -163.9 | 106.3 | 155.3 | 37.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 129 | L | 36.7 | Very low | 33.2 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | 163.8 | 109.8 | 139.7 | -92.2 | 161.5 | 0 | 0 | 0 | 110.2 | ||||
| 130 | L | 38 | Very low | 33.1 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | 174.9 | 109.3 | 123.9 | -93.8 | 154.4 | 0 | 0 | 0 | 109.2 | |||||
| 131 | G | 30.1 | Very low | 32.8 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -92.3 | 152.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 132 | S | 31.6 | Very low | 33 | Very low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 63.1 | 121.7 | 144.7 | -146.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 133 | S | 32 | Very low | 32.7 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | -167.7 | 150 | 120.5 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 134 | E | 36.1 | Very low | 32.7 | Very low | 134 Ų | 134 | 138 Ų | 138 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | trans | -67.3 | 162.2 | -171.9 | 55.1 | -110.5 | 89.9 | 0 | 0 | 116.3 | ||||
| 135 | E | 33.4 | Very low | 32.8 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | 104.5 | 143.6 | 119.1 | 76.7 | -160.6 | 118.3 | 0 | 0 | 110.3 | |||||
| 136 | G | 28.8 | Very low | 33 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | cis | 169.2 | 165.8 | 3.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 137 | E | 29.4 | Very low | 32.8 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 95% | 0.953 | 76% | 0.762 | S | S | * | * | trans | 75.2 | 147 | 160.2 | -131.1 | 158.7 | 114.7 | 0 | 0 | 118.3 | ||||
| 138 | S | 30 | Very low | 32.5 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -179.8 | 157.7 | -21.2 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 139 | L | 35.4 | Very low | 32.3 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | 88.2 | 129.6 | 144.6 | -89.9 | 164.6 | 0 | 0 | 0 | 123.9 | ||||
| 140 | R | 31.2 | Very low | 32.1 | Very low | 232 Ų | 232 | 138.4 Ų | 138.4 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | 93.2 | 117 | 146.9 | -66.1 | 167.5 | 128.5 | -125.4 | -9.5 | 116.8 | ||||
| 141 | G | 27.2 | Very low | 31.7 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | cis | 99.6 | 108.9 | 23.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 142 | L | 34.7 | Very low | 31.8 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -164.2 | 111.6 | 154.4 | -103.1 | 159.5 | 0 | 0 | 0 | 109.9 | ||||
| 143 | D | 29.4 | Very low | 31.6 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | trans | -85.8 | 138.9 | 169.6 | 171.8 | -97.9 | 0 | 0 | 0 | 109 | ||||
| 144 | V | 34 | Very low | 31.5 | Very low | 127 Ų | 127 | 144 Ų | 144 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -146.3 | 103.1 | 154.5 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 145 | S | 33.2 | Very low | 31.5 | Very low | 90 Ų | 90 | 148.6 Ų | 148.6 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -85.3 | 138.9 | 157.4 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 146 | L | 34.4 | Very low | 31.3 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -146.4 | 135.1 | 149.9 | -76.3 | -177.5 | 0 | 0 | 0 | 110.4 | ||||
| 147 | T | 29 | Very low | 31.5 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -84.4 | 171 | -178.5 | 41.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 148 | E | 31.6 | Very low | 31.7 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | 140.7 | 106.8 | 151.2 | -76.5 | 166.3 | -175.9 | 0 | 0 | 108.8 | ||||
| 149 | E | 31.2 | Very low | 31.9 | Very low | 168 Ų | 168 | 150 Ų | 150 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 96.5 | 126.1 | 63.4 | -81.4 | -172.1 | 169.1 | 0 | 0 | 113.4 | |||||
| 150 | E | 32.6 | Very low | 32.2 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 68.6 | 155.9 | 153.6 | -58.5 | -178.3 | 141.8 | 0 | 0 | 120.8 | ||||
| 151 | E | 30.1 | Very low | 32.6 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | cis | -171.5 | 163.7 | -32.6 | -98.7 | -151.5 | 129.3 | 0 | 0 | 106.3 | ||||
| 152 | A | 32.1 | Very low | 33.1 | Very low | 92 Ų | 92 | 149.5 Ų | 149.5 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | 72.6 | 150.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 153 | Q | 28.7 | Very low | 33.1 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | cis | 178.8 | 162.5 | -15.5 | 173.6 | 147.6 | -32.4 | 0 | 0 | 107.7 | ||||
| 154 | Q | 29.8 | Very low | 33.4 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 79.9 | 140.6 | 157 | -89.6 | 163.5 | 66.3 | 0 | 0 | 117.7 | ||||
| 155 | R | 34.3 | Very low | 33.4 | Very low | 230 Ų | 230 | 148.1 Ų | 148.1 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | cis | -177.2 | 153.9 | 15.4 | 176.7 | 176.2 | -167.3 | -143.9 | 3.1 | 111.4 | ||||
| 156 | G | 30.2 | Very low | 33.7 | Very low | 61 Ų | 61 | 150.7 Ų | 150.7 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | trans | 95 | 100.4 | 143 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 157 | E | 33.4 | Very low | 33.7 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | 66.6 | 113.9 | 89.7 | -74.4 | -157.3 | 112.4 | 0 | 0 | 116.6 | |||||
| 158 | R | 32.7 | Very low | 34.3 | Very low | 246 Ų | 246 | 149.5 Ų | 149.5 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | 173.6 | 125.2 | 114.2 | -167.1 | 167.5 | -69.2 | -138.8 | -1.3 | 110.6 | |||||
| 159 | G | 33.6 | Very low | 34.7 | Very low | 71 Ų | 71 | 146.3 Ų | 146.3 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | -81 | 165.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 160 | S | 43.1 | Very low | 35.3 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -162.5 | 121.4 | 142.9 | -150.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 161 | E | 38.8 | Very low | 35.7 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -89.3 | 148.2 | 173 | -54.9 | 163.2 | 126.5 | 0 | 0 | 108.2 | ||||
| 162 | S | 37.5 | Very low | 36.7 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -161.8 | 122.7 | 154 | -168 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 163 | D | 35.3 | Very low | 37.8 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -44.3 | 155.8 | 168.4 | -60.8 | -56.4 | 0 | 0 | 0 | 113.2 | ||||
| 164 | G | 35 | Very low | 38.9 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | cis | 127.4 | 120.5 | 29.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 165 | Q | 34.4 | Very low | 40.1 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -163.5 | 126 | 158 | -170.2 | 53.7 | 50 | 0 | 0 | 110.6 | ||||
| 166 | L | 39.9 | Very low | 41.3 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 148 | 175.7 | -63.6 | 155.5 | 0 | 0 | 0 | 109.9 | ||||
| 167 | D | 33.9 | Very low | 42.7 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | -172.4 | 128.9 | 114.5 | -86.1 | -30 | 0 | 0 | 0 | 111.4 | |||||
| 168 | A | 41.8 | Very low | 43.6 | Very low | 103 Ų | 103 | 145 Ų | 145 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -103 | 129.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 169 | S | 40 | Very low | 44.8 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -156.1 | 132.5 | 143.5 | -153.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 170 | E | 44.2 | Very low | 46.4 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 66.8 | 100 | 151.9 | -73.9 | 174.2 | 167.6 | 0 | 0 | 119.7 | ||||
| 171 | G | 40.8 | Very low | 47.1 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -167.5 | 80.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 172 | V | 50.8 | Low | 48 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | trans | 78 | 105.3 | 151.9 | -166.3 | 0 | 0 | 0 | 0 | 116.5 | L174 | V172-L174 HydrophobicContact CG1-CB 4.03Å; V172-L174 HydrophobicContact CG1-CD1 4.06Å; V172-L174 HydrophobicContact CG1-CG 3.74Å; V172-L174 PolarHBondContact O-N 2.86Å | ||
| 173 | T | 54.8 | Low | 49 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -59.5 | 73.1 | 153.7 | 42.2 | 0 | 0 | 0 | 0 | 110.6 | S175 | T173-S175 PolarHBondContact O-N 2.89Š| ||
| 174 | L | 51.7 | Low | 50.1 | Low | 140 Ų | 140 | 139.3 Ų | 139.3 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -84.7 | 108.4 | 173.2 | -115.6 | 166.9 | 0 | 0 | 0 | 108.7 | V172 K176 | V172-L174 HydrophobicContact CG1-CB 4.03Å; V172-L174 HydrophobicContact CG1-CD1 4.06Å; V172-L174 HydrophobicContact CG1-CG 3.74Å; V172-L174 PolarHBondContact O-N 2.86Å; L174-K176 PolarHBondContact O-N 3.1Å | ||
| 175 | S | 55 | Low | 51.4 | Low | 97 Ų | 97 | 147.9 Ų | 147.9 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -54.8 | 100.4 | 175.7 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | T173 R177 | T173-S175 PolarHBondContact O-N 2.89Å; S175-R177 PolarHBondContact O-N 2.85Å | ||
| 176 | K | 60.5 | Low | 52.5 | Low | 197 Ų | 197 | 148.5 Ų | 148.5 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -66.8 | 93.6 | 168.3 | -85.4 | 173.4 | 174.3 | 164.3 | 0 | 109.1 | L174 | L174-K176 PolarHBondContact O-N 3.1Š| ||
| 177 | R | 60.3 | Low | 53.5 | Low | 209 Ų | 209 | 144 Ų | 144 | 79% | 0.789 | 79% | 0.786 | S | S | * | * | trans | -105.1 | 109.7 | 161 | -74.4 | -173 | -178.5 | -103 | 1.2 | 108.6 | S175 | S175-R177 PolarHBondContact O-N 2.85Š| ||
| 178 | F | 50.5 | Low | 54.5 | Low | 202 Ų | 202 | 144.8 Ų | 144.8 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 67.3 | 130.2 | 161.8 | -68.2 | -88.9 | 0 | 0 | 0 | 120 | ||
| 179 | G | 58.1 | Low | 55 | Low | 71 Ų | 71 | 150.1 Ų | 150.1 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 95.1 | 66.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F181 | G179-F181 PolarHBondContact O-N 3.33Š| ||
| 180 | G | 67.9 | Low | 55.8 | Low | 68 Ų | 68 | 154 Ų | 154 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -63.5 | 117.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 181 | F | 56.8 | Low | 56.3 | Low | 204 Ų | 204 | 152.5 Ų | 152.5 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -128.3 | 97.1 | 139.3 | -70.4 | -76.9 | 0 | 0 | 0 | 107 | G179 R183 | G179-F181 PolarHBondContact O-N 3.33Å; F181-R183 VanDerWaalsContact C-N 3.32Å; F181-R183 PolarHBondContact O-N 3.44Å | ||
| 182 | Q | 57.9 | Low | 56.9 | Low | 179 Ų | 179 | 156.1 Ų | 156.1 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -65.5 | 96.5 | 169.9 | -67.3 | -99.1 | 93.4 | 0 | 0 | 106.9 | G184 | Q182-G184 VanDerWaalsContact C-N 3.28Å; Q182-G184 PolarHBondContact O-N 2.91Å | ||
| 183 | R | 58.5 | Low | 57 | Low | 218 Ų | 218 | 155.9 Ų | 155.9 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | -71.9 | 89.9 | 174.5 | -161.6 | 170.3 | 166.6 | 144.4 | -4.3 | 107.4 | F181 | F181-R183 VanDerWaalsContact C-N 3.32Å; F181-R183 PolarHBondContact O-N 3.44Å | ||
| 184 | G | 59.4 | Low | 57.1 | Low | 58 Ų | 58 | 152.4 Ų | 152.4 | 60% | 0.598 | 77% | 0.765 | S | S | * | * | trans | -55.6 | 139.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q182 H186 | Q182-G184 VanDerWaalsContact C-N 3.28Å; Q182-G184 PolarHBondContact O-N 2.91Å; G184-H186 PolarHBondContact O-N 3.36Å | ||
| 185 | R | 61.4 | Low | 57 | Low | 250 Ų | 250 | 150.9 Ų | 150.9 | 94% | 0.943 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -68 | 41.1 | 176.4 | -95.2 | -175.5 | 174.3 | -105.9 | 4 | 113.4 | ||
| 186 | H | 58.5 | Low | 57.2 | Low | 187 Ų | 187 | 153.2 Ų | 153.2 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -140.3 | 105.4 | 173.8 | -88.2 | 157.8 | 0 | 0 | 0 | 112.5 | G184 | G184-H186 PolarHBondContact O-N 3.36Š| ||
| 187 | G | 59.8 | Low | 57.2 | Low | 49 Ų | 49 | 154.6 Ų | 154.6 | 51% | 0.505 | 77% | 0.773 | S | S | . | * | 93.8 | 37.3 | 114 | 0 | 0 | 0 | 0 | 0 | 120.5 | R189 K190 | G187-R189 PolarHBondContact O-N 2.64Å; G187-K190 PolarHBondContact O-N 2.84Å | |||
| 188 | Y | 54.9 | Low | 57 | Low | 176 Ų | 176 | 148 Ų | 148 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -63.2 | -2.9 | 165.7 | 30.4 | -91.1 | 0 | 0 | 0 | 114.2 | ||
| 189 | R | 54.1 | Low | 57.5 | Low | 216 Ų | 216 | 146 Ų | 146 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -83.3 | -11.1 | 178.9 | -148.1 | -178.3 | -172.6 | -167.3 | 2.6 | 114.6 | G187 | G187-R189 PolarHBondContact O-N 2.64Š|
| 190 | K | 54.9 | Low | 57.8 | Low | 186 Ų | 186 | 150.5 Ų | 150.5 | 81% | 0.809 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -92 | -5.5 | -178.5 | -72.5 | -168.1 | 178.7 | -178.2 | 0 | 115.2 | G187 | G187-K190 PolarHBondContact O-N 2.84Š|
| 191 | L | 55 | Low | 57.9 | Low | 159 Ų | 159 | 155 Ų | 155 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -95.8 | -8.4 | 176.2 | -60.8 | 179 | 0 | 0 | 0 | 113.7 | ||
| 192 | I | 54.2 | Low | 58 | Low | 145 Ų | 145 | 156.1 Ų | 156.1 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -98.1 | -12.5 | -177.1 | -62.2 | 164.9 | 0 | 0 | 0 | 112.2 | ||
| 193 | S | 52.1 | Low | 57.9 | Low | 111 Ų | 111 | 158.2 Ų | 158.2 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -108.8 | 16 | -177.4 | -72.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 194 | S | 57 | Low | 58.2 | Low | 79 Ų | 79 | 151.3 Ų | 151.3 | 55% | 0.552 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -95.8 | 129.6 | 169.1 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | V196 | S194-V196 PolarHBondContact O-N 3.17Å; S194-V196 VanDerWaalsContact O-N 3.14Å |
| 195 | P | 51.2 | Low | 58.3 | Low | 108 Ų | 108 | 151.6 Ų | 151.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 121.4 | -179.5 | 26.6 | -32.1 | 0 | 0 | 0 | 109.1 | R197 | P195-R197 PolarHBondContact O-N 3.29Š| ||
| 196 | V | 57.9 | Low | 58.2 | Low | 145 Ų | 145 | 149.3 Ų | 149.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | 4.6 | 83.8 | 162.2 | -175 | 0 | 0 | 0 | 0 | 113.7 | S194 | S194-V196 PolarHBondContact O-N 3.17Å; S194-V196 VanDerWaalsContact O-N 3.14Å | ||
| 197 | R | 60.6 | Low | 58 | Low | 226 Ų | 226 | 148.4 Ų | 148.4 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -96.8 | 118.2 | 155 | -69.6 | -167.8 | -165 | 172 | 4 | 107 | P195 L199 | P195-R197 PolarHBondContact O-N 3.29Å; R197-L199 PolarHBondContact O-N 3.39Å; R197-L199 VanDerWaalsContact O-N 3.11Å | ||
| 198 | G | 56.3 | Low | 57.9 | Low | 72 Ų | 72 | 148.4 Ų | 148.4 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | -50.3 | 117.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q200 | G198-Q200 PolarHBondContact O-N 2.92Š| ||
| 199 | L | 60.4 | Low | 57.8 | Low | 159 Ų | 159 | 146.2 Ų | 146.2 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -69.4 | 93.4 | -179.2 | -170.9 | 73 | 0 | 0 | 0 | 108.7 | R197 K201 | R197-L199 PolarHBondContact O-N 3.39Å; R197-L199 VanDerWaalsContact O-N 3.11Å; L199-K201 PolarHBondContact O-N 2.8Å | ||
| 200 | Q | 64.4 | Low | 58.1 | Low | 166 Ų | 166 | 147.2 Ų | 147.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -66.2 | 100.9 | 177.4 | -169.5 | 172.3 | 15.3 | 0 | 0 | 109.1 | G198 R202 | G198-Q200 PolarHBondContact O-N 2.92Å; Q200-R202 PolarHBondContact O-N 3.4Å | ||
| 201 | K | 70.1 | Confident | 58 | Low | 163 Ų | 163 | 147.8 Ų | 147.8 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | -62.9 | 106.5 | 171.9 | -63.1 | -132.4 | -169.1 | -176.7 | 0 | 107.7 | L199 Y203 | L199-K201 PolarHBondContact O-N 2.8Å; K201-Y203 VanDerWaalsContact C-N 3.31Å; K201-Y203 HydrophobicContact CB-CD2 4.46Å; K201-Y203 HydrophobicContact CB-CE2 4.32Å; K201-Y203 PolarHBondContact O-N 2.91Å | ||
| 202 | R | 59.8 | Low | 58 | Low | 226 Ų | 226 | 144 Ų | 144 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -69 | 95.9 | 164.6 | -67.3 | -177.6 | -177.7 | -101.7 | -0.3 | 106.9 | Q200 G204 | Q200-R202 PolarHBondContact O-N 3.4Å; R202-G204 PolarHBondContact O-N 3.48Å | ||
| 203 | Y | 56 | Low | 58 | Low | 224 Ų | 224 | 142 Ų | 142 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | -62 | 112.7 | 161.6 | -76.7 | -95 | 0 | 0 | 0 | 107.1 | K201 | K201-Y203 VanDerWaalsContact C-N 3.31Å; K201-Y203 HydrophobicContact CB-CD2 4.46Å; K201-Y203 HydrophobicContact CB-CE2 4.32Å; K201-Y203 PolarHBondContact O-N 2.91Å | ||
| 204 | G | 64.8 | Low | 58.5 | Low | 72 Ų | 72 | 146.9 Ų | 146.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | 144.8 | 69.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R202 | R202-G204 PolarHBondContact O-N 3.48Š| ||
| 205 | G | 62.1 | Low | 58.6 | Low | 65 Ų | 65 | 151.1 Ų | 151.1 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | -163.7 | 53.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I207 | G205-I207 PolarHBondContact O-N 3.43Š| ||
| 206 | F | 59.1 | Low | 58.7 | Low | 201 Ų | 201 | 158.2 Ų | 158.2 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 30.5 | 84.5 | 149 | -72.4 | -98.4 | 0 | 0 | 0 | 114.1 | G208 | F206-G208 PolarHBondContact O-N 3.35Š| ||
| 207 | I | 54 | Low | 58.7 | Low | 169 Ų | 169 | 156.9 Ų | 156.9 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -58.4 | 92.1 | 143.5 | -66.6 | 171 | 0 | 0 | 0 | 103.8 | G205 V209 | G205-I207 PolarHBondContact O-N 3.43Å; I207-V209 PolarHBondContact O-N 2.84Å | ||
| 208 | G | 56.3 | Low | 58.4 | Low | 48 Ų | 48 | 149.3 Ų | 149.3 | 50% | 0.495 | 77% | 0.765 | S | S | . | * | trans | -53.3 | 116.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | F206 R210 | F206-G208 PolarHBondContact O-N 3.35Å; G208-R210 PolarHBondContact O-N 3.29Å | ||
| 209 | V | 54.6 | Low | 58.6 | Low | 131 Ų | 131 | 150.2 Ų | 150.2 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -54.9 | 89.8 | 169.8 | 177.5 | 0 | 0 | 0 | 0 | 106.4 | I207 K211 | I207-V209 PolarHBondContact O-N 2.84Å; V209-K211 PolarHBondContact O-N 3.26Å | ||
| 210 | R | 58.5 | Low | 58.4 | Low | 237 Ų | 237 | 150.7 Ų | 150.7 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | trans | -72.7 | 92.3 | 166.5 | -73.8 | -165.1 | -177.9 | -124.7 | 2 | 105.3 | G208 S212 | G208-R210 PolarHBondContact O-N 3.29Å; R210-S212 PolarHBondContact O-N 3.49Å | ||
| 211 | K | 54.6 | Low | 58 | Low | 197 Ų | 197 | 149.9 Ų | 149.9 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -39.4 | 90.3 | 157.3 | -70.9 | 173.8 | 173.6 | 179 | 0 | 109.8 | V209 | V209-K211 PolarHBondContact O-N 3.26Š| ||
| 212 | S | 54.7 | Low | 57.2 | Low | 79 Ų | 79 | 148 Ų | 148 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | trans | -160 | 67.1 | 138.2 | 60 | 0 | 0 | 0 | 0 | 106.5 | R210 R214 | R210-S212 PolarHBondContact O-N 3.49Å; S212-R214 PolarHBondContact O-N 3.36Å | ||
| 213 | A | 54.2 | Low | 57.2 | Low | 104 Ų | 104 | 141.8 Ų | 141.8 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -56.7 | 86.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | Q215 | A213-Q215 VanDerWaalsContact C-N 3.32Å; A213-Q215 PolarHBondContact O-N 3.01Å | ||
| 214 | R | 62.1 | Low | 57.5 | Low | 213 Ų | 213 | 135.5 Ų | 135.5 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | trans | -59.9 | 107.6 | 170.2 | -73.1 | -179.9 | -174.5 | -96.5 | 0.7 | 103.5 | S212 W216 | S212-R214 PolarHBondContact O-N 3.36Å; R214-W216 VanDerWaalsContact C-N 3.3Å; R214-W216 PolarHBondContact O-N 2.97Å | ||
| 215 | Q | 58.3 | Low | 57.3 | Low | 169 Ų | 169 | 136.3 Ų | 136.3 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | trans | -48.5 | 97 | 176.7 | -174.2 | 167.3 | 2.2 | 0 | 0 | 108.2 | A213 N217 | A213-Q215 VanDerWaalsContact C-N 3.32Å; A213-Q215 PolarHBondContact O-N 3.01Å; Q215-N217 PolarHBondContact O-N 3.04Å | ||
| 216 | W | 54.2 | Low | 57.4 | Low | 257 Ų | 257 | 137.7 Ų | 137.7 | 97% | 0.973 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -78.2 | 31.5 | -177.1 | -151.4 | -2.8 | 0 | 0 | 0 | 110.8 | R214 | R214-W216 VanDerWaalsContact C-N 3.3Å; R214-W216 PolarHBondContact O-N 2.97Å |
| 217 | N | 58.1 | Low | 57.5 | Low | 117 Ų | 117 | 134.9 Ų | 134.9 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | trans | -130.2 | 68.5 | 173.2 | -164.8 | 1.5 | 0 | 0 | 0 | 107.6 | Q215 P219 | Q215-N217 PolarHBondContact O-N 3.04Å; N217-P219 WeakPolarHBondContact O-CD 3.48Å | ||
| 218 | S | 54.1 | Low | 57.8 | Low | 67 Ų | 67 | 131.1 Ų | 131.1 | 47% | 0.469 | 65% | 0.654 | S | S | . | * | trans | -90 | 113.4 | 161.5 | 62.9 | 0 | 0 | 0 | 0 | 107.2 | K220 W221 | S218-K220 PolarHBondContact O-N 3.26Å; S218-W221 PolarHBondContact O-NE1 2.77Å | ||
| 219 | P | 60.4 | Low | 58 | Low | 90 Ų | 90 | 137.3 Ų | 137.3 | 58% | 0.584 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 5.4 | -177 | 23.8 | -32.6 | 0 | 0 | 0 | 114.3 | N217 | N217-P219 WeakPolarHBondContact O-CD 3.48Š|
| 220 | K | 56.9 | Low | 58.3 | Low | 170 Ų | 170 | 138.8 Ų | 138.8 | 74% | 0.739 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.5 | -26 | -173.2 | -66.7 | 179.8 | 178.9 | 165.1 | 0 | 113.5 | S218 | S218-K220 PolarHBondContact O-N 3.26Å |
| 221 | W | 54.3 | Low | 58.3 | Low | 149 Ų | 149 | 137 Ų | 137 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.2 | -26.2 | 176.2 | 70.1 | -90 | 0 | 0 | 0 | 112.6 | S218 N223 | S218-W221 PolarHBondContact O-NE1 2.77Å; W221-N223 VanDerWaalsContact C-N 3.33Å; W221-N223 PolarHBondContact O-N 2.9Å |
| 222 | M | 54 | Low | 58.5 | Low | 122 Ų | 122 | 131.5 Ų | 131.5 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.6 | -28.5 | 178.3 | -118.1 | 176.5 | -165.4 | 0 | 0 | 112.9 | Q226 | M222-Q226 WeakPolarHBondContact O-CB 3.37Å; M222-Q226 PolarHBondContact O-N 2.74Å |
| 223 | N | 59.3 | Low | 58.6 | Low | 97 Ų | 97 | 131.9 Ų | 131.9 | 52% | 0.519 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -78.2 | -31.8 | 179.4 | -84.8 | -18.5 | 0 | 0 | 0 | 114 | W221 Q226 Q227 | W221-N223 VanDerWaalsContact C-N 3.33Å; W221-N223 PolarHBondContact O-N 2.9Å; N223-Q226 PolarHBondContact O-N 2.79Å; N223-Q227 WeakPolarHBondContact O-CG 3.28Å; N223-Q227 PolarHBondContact O-N 2.97Å |
| 224 | V | 63 | Low | 58.7 | Low | 91 Ų | 91 | 131.8 Ų | 131.8 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.4 | -43.5 | 178.8 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | Q226 Q227 L228 | V224-Q226 VanDerWaalsContact C-N 3.3Å; V224-Q226 PolarHBondContact O-N 2.99Å; V224-Q227 PolarHBondContact O-N 3.21Å; V224-L228 HydrophobicContact CG1-CD1 4.03Å; V224-L228 WeakPolarHBondContact O-CG 3.24Å; V224-L228 PolarHBondContact O-N 2.96Å |
| 225 | N | 61.4 | Low | 58.3 | Low | 90 Ų | 90 | 132.7 Ų | 132.7 | 48% | 0.481 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70 | -26.2 | 176.6 | -104 | -29.4 | 0 | 0 | 0 | 113.1 | R229 | N225-R229 WeakPolarHBondContact O-CG 3.21Å; N225-R229 PolarHBondContact O-N 2.92Å |
| 226 | Q | 62.5 | Low | 58 | Low | 94 Ų | 94 | 129.1 Ų | 129.1 | 44% | 0.439 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.4 | -43.1 | 172.4 | -169 | 173.8 | 84.5 | 0 | 0 | 111.5 | M222 N223 V224 L228 R229 Y230 | M222-Q226 WeakPolarHBondContact O-CB 3.37Å; M222-Q226 PolarHBondContact O-N 2.74Å; N223-Q226 PolarHBondContact O-N 2.79Å; V224-Q226 VanDerWaalsContact C-N 3.3Å; V224-Q226 PolarHBondContact O-N 2.99Å; Q226-L228 PolarHBondContact O-N 2.89Å; Q226-R229 PolarHBondContact O-N 2.69Å; Q226-Y230 HydrophobicContact CG-CD2 3.91Å; Q226-Y230 HydrophobicContact CG-CE2 3.65Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.33Å; Q226-Y230 PolarHBondContact O-N 2.74Å |
| 227 | Q | 61.2 | Low | 57.7 | Low | 142 Ų | 142 | 119.9 Ų | 119.9 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.6 | -37.8 | 175.7 | -75.5 | -167.4 | 35.4 | 0 | 0 | 113.1 | N223 V224 Y230 R231 | N223-Q227 WeakPolarHBondContact O-CG 3.28Å; N223-Q227 PolarHBondContact O-N 2.97Å; V224-Q227 PolarHBondContact O-N 3.21Å; Q227-Y230 PolarHBondContact O-N 3.25Å; Q227-R231 WeakPolarHBondContact O-CB 3.35Å; Q227-R231 PolarHBondContact O-N 3.39Å |
| 228 | L | 61.6 | Low | 57.2 | Low | 90 Ų | 90 | 125.8 Ų | 125.8 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.1 | -40.1 | 174 | -73.6 | 166.7 | 0 | 0 | 0 | 111.5 | V224 Q226 R231 S232 | V224-L228 HydrophobicContact CG1-CD1 4.03Å; V224-L228 WeakPolarHBondContact O-CG 3.24Å; V224-L228 PolarHBondContact O-N 2.96Å; Q226-L228 PolarHBondContact O-N 2.89Å; L228-R231 PolarHBondContact O-N 3.11Å; L228-S232 WeakPolarHBondContact O-CB 3.21Å; L228-S232 PolarHBondContact O-N 2.9Å; L228-S232 PolarHBondContact O-OG 3.14Å |
| 229 | R | 61.1 | Low | 57 | Low | 177 Ų | 177 | 129 Ų | 129 | 67% | 0.668 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.2 | -41 | 174.2 | -79.5 | -168.4 | -79.4 | 158 | -10.8 | 113 | N225 Q226 S233 | N225-R229 WeakPolarHBondContact O-CG 3.21Å; N225-R229 PolarHBondContact O-N 2.92Å; Q226-R229 PolarHBondContact O-N 2.69Å; R229-S233 WeakPolarHBondContact O-CB 3.43Å; R229-S233 PolarHBondContact O-N 3.25Å |
| 230 | Y | 60 | Low | 56 | Low | 163 Ų | 163 | 127.7 Ų | 127.7 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66 | -41.5 | 174.6 | -80.9 | -71.1 | 0 | 0 | 0 | 112.5 | Q226 Q227 S233 S234 | Q226-Y230 HydrophobicContact CG-CD2 3.91Å; Q226-Y230 HydrophobicContact CG-CE2 3.65Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.33Å; Q226-Y230 PolarHBondContact O-N 2.74Å; Q227-Y230 PolarHBondContact O-N 3.25Å; Y230-S233 PolarHBondContact O-N 2.97Å; Y230-S234 PolarHBondContact O-N 3.02Å; Y230-S234 VanDerWaalsContact O-N 3.14Å; Y230-S234 PolarHBondContact O-OG 2.92Å; Y230-S234 VanDerWaalsContact O-OG 3.05Å |
| 231 | R | 59.3 | Low | 55.4 | Low | 198 Ų | 198 | 126.8 Ų | 126.8 | 75% | 0.747 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68 | -34.4 | 177.5 | -108.8 | 177 | 144.3 | -161 | -4.3 | 113.6 | Q227 L228 | Q227-R231 WeakPolarHBondContact O-CB 3.35Å; Q227-R231 PolarHBondContact O-N 3.39Å; L228-R231 PolarHBondContact O-N 3.11Å |
| 232 | S | 57 | Low | 54.9 | Low | 82 Ų | 82 | 123.7 Ų | 123.7 | 57% | 0.573 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.2 | -33.9 | 176.6 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | L228 R235 | L228-S232 WeakPolarHBondContact O-CB 3.21Å; L228-S232 PolarHBondContact O-N 2.9Å; L228-S232 PolarHBondContact O-OG 3.14Å; S232-R235 PolarHBondContact O-N 2.97Å |
| 233 | S | 57.9 | Low | 54.1 | Low | 87 Ų | 87 | 121.7 Ų | 121.7 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.4 | -32.2 | 175.1 | -136.2 | 0 | 0 | 0 | 0 | 112.7 | R229 Y230 R235 S236 | R229-S233 WeakPolarHBondContact O-CB 3.43Å; R229-S233 PolarHBondContact O-N 3.25Å; Y230-S233 PolarHBondContact O-N 2.97Å; S233-R235 VanDerWaalsContact C-N 3.27Å; S233-R235 PolarHBondContact O-N 3.43Å; S233-S236 PolarHBondContact O-OG 2.83Å |
| 234 | S | 55.4 | Low | 53.4 | Low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -11.2 | 175.7 | -54.1 | 0 | 0 | 0 | 0 | 114.1 | Y230 | Y230-S234 PolarHBondContact O-N 3.02Å; Y230-S234 VanDerWaalsContact O-N 3.14Å; Y230-S234 PolarHBondContact O-OG 2.92Å; Y230-S234 VanDerWaalsContact O-OG 3.05Å |
| 235 | R | 54.4 | Low | 52.8 | Low | 232 Ų | 232 | 126.1 Ų | 126.1 | 88% | 0.875 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -9.4 | 178.8 | -105.6 | -176.9 | -174.3 | -149.3 | 0.6 | 114.3 | S232 S233 | S232-R235 PolarHBondContact O-N 2.97Å; S233-R235 VanDerWaalsContact C-N 3.27Å; S233-R235 PolarHBondContact O-N 3.43Å |
| 236 | S | 52.3 | Low | 52.2 | Low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -92 | 7.3 | 175 | 59.8 | 0 | 0 | 0 | 0 | 114 | S233 R238 | S233-S236 PolarHBondContact O-OG 2.83Å; S236-R238 PolarHBondContact O-N 2.91Å; S236-R238 VanDerWaalsContact O-N 3.1Å |
| 237 | G | 47 | Very low | 51.5 | Low | 62 Ų | 62 | 130.9 Ų | 130.9 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | trans | -74.5 | 93.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 238 | R | 48.8 | Very low | 50.9 | Low | 242 Ų | 242 | 135 Ų | 135 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | -58.5 | 130.2 | 155.6 | -90.8 | -179.6 | 166.8 | -161.2 | -2.3 | 108.9 | S236 G240 | S236-R238 PolarHBondContact O-N 2.91Å; S236-R238 VanDerWaalsContact O-N 3.1Å; R238-G240 PolarHBondContact O-N 2.92Å | ||
| 239 | P | 48.8 | Very low | 50 | Low | 135 Ų | 135 | 142.1 Ų | 142.1 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -81 | 115.8 | 166.8 | 28.4 | -22 | 0 | 0 | 0 | 108.5 | ||||
| 240 | G | 41 | Very low | 49.2 | Very low | 61 Ų | 61 | 145.5 Ų | 145.5 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -167.7 | 88.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R238 | R238-G240 PolarHBondContact O-N 2.92Š| ||
| 241 | T | 43.9 | Very low | 48.5 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | 76.4 | 106.3 | 139.4 | -29.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 242 | G | 43.6 | Very low | 47.9 | Very low | 85 Ų | 85 | 148.5 Ų | 148.5 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | 99.9 | 102.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 243 | G | 35.8 | Very low | 47.2 | Very low | 79 Ų | 79 | 150.4 Ų | 150.4 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 167.8 | 94.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 244 | L | 44.8 | Very low | 46.6 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -52.9 | 151.4 | 175.3 | -78.5 | 150.3 | 0 | 0 | 0 | 113.4 | T246 | L244-T246 PolarHBondContact O-N 2.92Š| ||
| 245 | P | 50.3 | Low | 46 | Very low | 122 Ų | 122 | 162.3 Ų | 162.3 | 79% | 0.792 | 85% | 0.852 | S | S | * | * | trans | -79.3 | 113.5 | 178.3 | 32.2 | -29.6 | 0 | 0 | 0 | 109.7 | ||||
| 246 | T | 48.7 | Very low | 45.5 | Very low | 121 Ų | 121 | 158.8 Ų | 158.8 | 74% | 0.742 | 85% | 0.851 | S | S | * | * | trans | -92 | 107.7 | 170.2 | 60 | 0 | 0 | 0 | 0 | 110.2 | L244 R248 | L244-T246 PolarHBondContact O-N 2.92Å; T246-R248 PolarHBondContact O-N 2.8Å | ||
| 247 | N | 49.3 | Very low | 45.2 | Very low | 162 Ų | 162 | 162.2 Ų | 162.2 | 87% | 0.866 | 86% | 0.862 | S | S | * | * | trans | -49.4 | 123.4 | 160.9 | -104.8 | -47.8 | 0 | 0 | 0 | 111.4 | ||||
| 248 | R | 48.6 | Very low | 45.1 | Very low | 228 Ų | 228 | 167.8 Ų | 167.8 | 86% | 0.86 | 87% | 0.874 | S | S | * | * | trans | -148.9 | 92.4 | 151.1 | -65.7 | -168.1 | -152.3 | -134.7 | 2.6 | 108.7 | T246 | T246-R248 PolarHBondContact O-N 2.8Š| ||
| 249 | R | 41.6 | Very low | 44.9 | Very low | 240 Ų | 240 | 163.4 Ų | 163.4 | 91% | 0.906 | 87% | 0.872 | S | S | * | * | 60.8 | 104.9 | 86.7 | -136.6 | -177.1 | -158.5 | -151 | 4.8 | 112.9 | |||||
| 250 | W | 45.3 | Very low | 44.6 | Very low | 249 Ų | 249 | 165.2 Ų | 165.2 | 94% | 0.943 | 87% | 0.871 | S | S | * | * | trans | -40.5 | 132.1 | 167.5 | -70.5 | 80.7 | 0 | 0 | 0 | 112.9 | ||||
| 251 | R | 43.9 | Very low | 44.9 | Very low | 243 Ų | 243 | 172.1 Ų | 172.1 | 92% | 0.917 | 89% | 0.887 | S | S | * | * | trans | -122.3 | 114.6 | 155.5 | -84.2 | -166.6 | -174.9 | -94.8 | 3.7 | 109.3 | ||||
| 252 | Q | 48 | Very low | 44.9 | Very low | 180 Ų | 180 | 173.6 Ų | 173.6 | 84% | 0.841 | 89% | 0.885 | S | S | * | * | trans | -57.8 | 142.8 | 159.2 | -65.2 | 179.4 | -10.6 | 0 | 0 | 109.5 | ||||
| 253 | S | 42.4 | Very low | 45 | Very low | 122 Ų | 122 | 180.5 Ų | 180.5 | 85% | 0.853 | 89% | 0.885 | S | S | * | * | trans | -118.4 | 123.5 | 154.9 | 42.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 254 | K | 45.7 | Very low | 45.8 | Very low | 190 Ų | 190 | 188.9 Ų | 188.9 | 83% | 0.826 | 89% | 0.891 | S | S | * | * | trans | -74.8 | 143.4 | 170.1 | -73.3 | 177.3 | 172.8 | -178.5 | 0 | 109 | ||||
| 255 | L | 41 | Very low | 45.9 | Very low | 250 Ų | 250 | 191.5 Ų | 191.5 | 100% | 1.309 | 90% | 0.896 | S | S | * | * | trans | -119.7 | 0 | 136.5 | -84.1 | 165.6 | 0 | 0 | 0 | 106.6 |
Retrieved 255 of 255 residues in 209.3 ms
(Link to these results)