| 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 | 31.8 | Very low | 35.5 | Very low | 229 Ų | 229 | 136.5 Ų | 136.5 | 100% | 1.128 | 73% | 0.727 | S | S | * | * | 0 | -14 | 0 | -80.8 | -165.5 | 145.5 | 0 | 0 | 115 | S3 | M1-S3 PolarHBondContact O-N 2.8Š| |||
| 2 | L | 31.4 | Very low | 35.3 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 10.6 | -174.4 | -73 | 163.2 | 0 | 0 | 0 | 116.8 | ||
| 3 | S | 40.6 | Very low | 35.5 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -15.9 | -176.7 | 61.9 | 0 | 0 | 0 | 0 | 115.6 | M1 | M1-S3 PolarHBondContact O-N 2.8Š|
| 4 | E | 34.6 | Very low | 35.2 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92.7 | -33.1 | -175.8 | -77.2 | -174.2 | 149.6 | 0 | 0 | 113.5 | A6 R7 | E4-A6 VanDerWaalsContact C-N 3.32Å; E4-A6 PolarHBondContact O-N 3Å; E4-R7 PolarHBondContact O-N 3.33Å |
| 5 | E | 33.5 | Very low | 35.2 | Very low | 133 Ų | 133 | 133 Ų | 133 | 62% | 0.621 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -70.1 | -25.7 | -178.9 | -69.2 | -175.7 | 163.8 | 0 | 0 | 113.6 | R7 N8 | E5-R7 PolarHBondContact O-N 3.04Å; E5-N8 PolarHBondContact O-N 3.46Å |
| 6 | A | 39.8 | Very low | 34.9 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -68.4 | -17.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E4 | E4-A6 VanDerWaalsContact C-N 3.32Å; E4-A6 PolarHBondContact O-N 3Å |
| 7 | R | 38 | Very low | 34.9 | Very low | 206 Ų | 206 | 134.7 Ų | 134.7 | 78% | 0.777 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -89.8 | -19.1 | -179.5 | -74.5 | -174.7 | 178.7 | 175.8 | 1.3 | 114.2 | E4 E5 | E4-R7 PolarHBondContact O-N 3.33Å; E5-R7 PolarHBondContact O-N 3.04Å |
| 8 | N | 32.6 | Very low | 34.7 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -4.5 | -175.4 | -77.8 | -14 | 0 | 0 | 0 | 114.7 | E5 S10 | E5-N8 PolarHBondContact O-N 3.46Å; N8-S10 VanDerWaalsContact C-N 3.31Å; N8-S10 PolarHBondContact O-N 3.3Å |
| 9 | V | 38.3 | Very low | 34.6 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 62% | 0.624 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.6 | -18.3 | 178.3 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | N11 | V9-N11 PolarHBondContact O-N 2.98Å |
| 10 | S | 36.7 | Very low | 34.4 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 57% | 0.573 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -77.5 | -17.5 | -177.6 | 65.1 | 0 | 0 | 0 | 0 | 115.1 | N8 | N8-S10 VanDerWaalsContact C-N 3.31Å; N8-S10 PolarHBondContact O-N 3.3Å |
| 11 | N | 33.3 | Very low | 34.2 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -110.7 | -18.4 | -170.7 | -71.5 | 3.8 | 0 | 0 | 0 | 114.7 | V9 | V9-N11 PolarHBondContact O-N 2.98Å |
| 12 | V | 33.5 | Very low | 34.6 | Very low | 100 Ų | 100 | 131 Ų | 131 | 61% | 0.606 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -81.7 | -17.5 | -179.3 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | Q14 | V12-Q14 PolarHBondContact O-N 3.39Å |
| 13 | T | 36.7 | Very low | 34.9 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 52% | 0.515 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | 3.8 | -175.1 | 51.2 | 0 | 0 | 0 | 0 | 115.4 | W17 | T13-W17 PolarHBondContact O-NE1 3.38Å; T13-W17 VanDerWaalsContact O-NE1 3.08Å |
| 14 | Q | 31.8 | Very low | 35 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 77% | 0.771 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -29.5 | 174.5 | -93.2 | -174.1 | -17.9 | 0 | 0 | 114.2 | V12 | V12-Q14 PolarHBondContact O-N 3.39Š|
| 15 | E | 34.6 | Very low | 36.5 | Very low | 144 Ų | 144 | 124 Ų | 124 | 67% | 0.673 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -28.4 | -168.3 | -70.8 | -169 | 156.1 | 0 | 0 | 114.7 | W17 | E15-W17 PolarHBondContact O-N 3.33Š|
| 16 | E | 31.2 | Very low | 38.2 | Very low | 159 Ų | 159 | 122 Ų | 122 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -73.2 | -12.7 | 175.9 | -72.9 | -172.3 | 155.9 | 0 | 0 | 113.4 | Q18 A19 | E16-Q18 VanDerWaalsContact C-N 3.34Å; E16-Q18 PolarHBondContact O-N 3.25Å; E16-A19 PolarHBondContact O-N 3.4Å |
| 17 | W | 34.4 | Very low | 39.7 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 52% | 0.515 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -73.7 | -15.5 | -174.5 | -81.5 | 76.9 | 0 | 0 | 0 | 115.7 | T13 E15 F26 | T13-W17 PolarHBondContact O-NE1 3.38Å; T13-W17 VanDerWaalsContact O-NE1 3.08Å; E15-W17 PolarHBondContact O-N 3.33Å; W17-F26 AromaticContact CH2-CD2 3.82Å; W17-F26 HydrophobicContact CH2-CD2 3.82Å; W17-F26 AromaticContact CH2-CE2 3.94Å; W17-F26 HydrophobicContact CH2-CE2 3.94Å; W17-F26 AromaticContact CZ3-CD2 3.81Å; W17-F26 HydrophobicContact CZ3-CD2 3.81Å; W17-F26 HydrophobicContact CZ3-CE2 4.25Å |
| 18 | Q | 31.6 | Very low | 41.4 | Very low | 186 Ų | 186 | 116.9 Ų | 116.9 | 87% | 0.869 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -90.5 | -8.6 | 179.3 | -73 | -170.6 | -11.7 | 0 | 0 | 114 | E16 | E16-Q18 VanDerWaalsContact C-N 3.34Å; E16-Q18 PolarHBondContact O-N 3.25Å |
| 19 | A | 32.4 | Very low | 43.6 | Very low | 91 Ų | 91 | 114.2 Ų | 114.2 | 75% | 0.752 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -18.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E16 K21 | E16-A19 PolarHBondContact O-N 3.4Å; A19-K21 PolarHBondContact O-N 3.09Å |
| 20 | S | 30.4 | Very low | 45.7 | Very low | 78 Ų | 78 | 109.5 Ų | 109.5 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | trans | -96.7 | 86.7 | 179 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | D22 | S20-D22 PolarHBondContact O-N 3.34Å; S20-D22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | K | 31.9 | Very low | 47.8 | Very low | 197 Ų | 197 | 107.4 Ų | 107.4 | 86% | 0.857 | 56% | 0.564 | S | S | * | * | trans | -77.7 | 46 | 167 | -89.3 | -173.9 | 175 | 177.4 | 0 | 112.4 | A19 | A19-K21 PolarHBondContact O-N 3.09Š| ||
| 22 | D | 38.9 | Very low | 50.2 | Low | 138 Ų | 138 | 106 Ų | 106 | 74% | 0.738 | 55% | 0.553 | S | S | * | * | trans | -104.3 | 116.9 | 168.3 | -81.1 | -26.2 | 0 | 0 | 0 | 109.8 | S20 T24 | S20-D22 PolarHBondContact O-N 3.34Å; S20-D22 VanDerWaalsContact O-N 3.08Å; D22-T24 PolarHBondContact O-N 3.45Å | ||
| 23 | S | 37.9 | Very low | 52.8 | Low | 129 Ų | 129 | 105 Ų | 105 | 90% | 0.902 | 54% | 0.542 | S | S | * | . | trans | -75.5 | 66.3 | -158.5 | 58.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 24 | T | 43.5 | Very low | 55.4 | Low | 78 Ų | 78 | 101 Ų | 101 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | trans | -100.2 | 131.4 | 156.7 | 35 | 0 | 0 | 0 | 0 | 108.7 | D22 F26 Q28 Q29 | D22-T24 PolarHBondContact O-N 3.45Å; T24-F26 PolarHBondContact O-N 3Å; T24-Q28 HydrophobicContact CG2-CG 4.32Å; T24-Q29 VanDerWaalsContact OG1-CG 3.29Å; T24-Q29 WeakPolarHBondContact OG1-CG 3.22Å; T24-Q29 PolarHBondContact OG1-NE2 3.33Å; T24-Q29 VanDerWaalsContact OG1-NE2 3.11Å | ||
| 25 | S | 65.2 | Low | 58.1 | Low | 64 Ų | 64 | 97.3 Ų | 97.3 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | trans | -58.1 | 142.9 | 174.8 | 80 | 0 | 0 | 0 | 0 | 108.5 | Q27 Q28 Q29 | S25-Q27 PolarHBondContact O-N 3.03Å; S25-Q28 WeakPolarHBondContact O-CA 3.42Å; S25-Q28 WeakPolarHBondContact O-CB 3.45Å; S25-Q28 PolarHBondContact O-N 3.16Å; S25-Q28 PolarHBondContact OG-N 3.42Å; S25-Q29 PolarHBondContact O-N 3.5Å | ||
| 26 | F | 69.8 | Low | 60.7 | Low | 92 Ų | 92 | 96.5 Ų | 96.5 | 40% | 0.404 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -47.7 | -36.3 | 176.3 | 166.7 | -99.1 | 0 | 0 | 0 | 112.8 | W17 T24 Q29 C30 Q64 | W17-F26 AromaticContact CH2-CD2 3.82Å; W17-F26 HydrophobicContact CH2-CD2 3.82Å; W17-F26 AromaticContact CH2-CE2 3.94Å; W17-F26 HydrophobicContact CH2-CE2 3.94Å; W17-F26 AromaticContact CZ3-CD2 3.81Å; W17-F26 HydrophobicContact CZ3-CD2 3.81Å; W17-F26 HydrophobicContact CZ3-CE2 4.25Å; T24-F26 PolarHBondContact O-N 3Å; F26-Q29 PolarHBondContact O-N 3.45Å; F26-C30 WeakPolarHBondContact O-CB 3.38Å; F26-C30 PolarHBondContact O-N 3.38Å; F26-C30 PolarHBondContact O-SG 3.27Å; F26-Q64 VanDerWaalsContact CE2-OE1 3.23Å; F26-Q64 HydrophobicContact CZ-CB 4.13Å |
| 27 | Q | 69.9 | Low | 63.5 | Low | 81 Ų | 81 | 90 Ų | 90 | 38% | 0.379 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 173.2 | -72.4 | -179.9 | -22.7 | 0 | 0 | 112.9 | S25 F31 | S25-Q27 PolarHBondContact O-N 3.03Å; Q27-F31 VanDerWaalsContact O-CB 3.22Å; Q27-F31 WeakPolarHBondContact O-CB 3.35Å; Q27-F31 PolarHBondContact O-N 3.04Å |
| 28 | Q | 75 | Confident | 66.2 | Low | 100 Ų | 100 | 83.6 Ų | 83.6 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 176.2 | -157 | 104.2 | 11.6 | 0 | 0 | 111.8 | T24 S25 F31 E32 | T24-Q28 HydrophobicContact CG2-CG 4.32Å; S25-Q28 WeakPolarHBondContact O-CA 3.42Å; S25-Q28 WeakPolarHBondContact O-CB 3.45Å; S25-Q28 PolarHBondContact O-N 3.16Å; S25-Q28 PolarHBondContact OG-N 3.42Å; Q28-F31 WeakPolarHBondContact O-CB 3.46Å; Q28-F31 PolarHBondContact O-N 3.33Å; Q28-E32 WeakPolarHBondContact O-CG 3.23Å; Q28-E32 PolarHBondContact O-N 3.46Å |
| 29 | Q | 78.6 | Confident | 68.9 | Low | 64 Ų | 64 | 77.7 Ų | 77.7 | 30% | 0.299 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.9 | -49.8 | 175.5 | -69 | -179.9 | -15.9 | 0 | 0 | 111 | T24 S25 F26 F31 E32 E33 | T24-Q29 VanDerWaalsContact OG1-CG 3.29Å; T24-Q29 WeakPolarHBondContact OG1-CG 3.22Å; T24-Q29 PolarHBondContact OG1-NE2 3.33Å; T24-Q29 VanDerWaalsContact OG1-NE2 3.11Å; S25-Q29 PolarHBondContact O-N 3.5Å; F26-Q29 PolarHBondContact O-N 3.45Å; Q29-F31 PolarHBondContact O-N 3.33Å; Q29-E32 PolarHBondContact O-N 2.92Å; Q29-E33 WeakPolarHBondContact O-CB 3.44Å; Q29-E33 PolarHBondContact O-N 3.28Å |
| 30 | C | 81.5 | Confident | 71.6 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.9 | -36.3 | 173.5 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | F26 L34 V61 F65 | F26-C30 WeakPolarHBondContact O-CB 3.38Å; F26-C30 PolarHBondContact O-N 3.38Å; F26-C30 PolarHBondContact O-SG 3.27Å; C30-L34 WeakPolarHBondContact O-CB 3.49Å; C30-L34 WeakPolarHBondContact O-CG 3.34Å; C30-L34 PolarHBondContact O-N 2.98Å; C30-V61 HydrophobicContact CB-CG1 3.83Å; C30-F65 HydrophobicContact CB-CE2 4.16Å; C30-F65 HydrophobicContact CB-CZ 3.88Å |
| 31 | F | 81.6 | Confident | 74.4 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.9 | -51.9 | 177.7 | 178.6 | -105.2 | 0 | 0 | 0 | 112.3 | Q27 Q28 Q29 E33 L34 K35 L75 A78 | Q27-F31 VanDerWaalsContact O-CB 3.22Å; Q27-F31 WeakPolarHBondContact O-CB 3.35Å; Q27-F31 PolarHBondContact O-N 3.04Å; Q28-F31 WeakPolarHBondContact O-CB 3.46Å; Q28-F31 PolarHBondContact O-N 3.33Å; Q29-F31 PolarHBondContact O-N 3.33Å; F31-E33 VanDerWaalsContact C-N 3.31Å; F31-E33 PolarHBondContact O-N 3.48Å; F31-L34 PolarHBondContact O-N 2.9Å; F31-K35 HydrophobicContact CE1-CD 4.12Å; F31-K35 HydrophobicContact CZ-CD 4.28Å; F31-K35 WeakPolarHBondContact O-CB 3.46Å; F31-K35 PolarHBondContact O-N 3.27Å; F31-L75 HydrophobicContact CB-CD2 3.96Å; F31-L75 HydrophobicContact CD2-CB 4.2Å; F31-L75 HydrophobicContact CD2-CD2 3.41Å; F31-L75 VanDerWaalsContact CD2-CD2 3.41Å; F31-L75 HydrophobicContact CD2-CG 4.31Å; F31-L75 HydrophobicContact CE2-CD2 4.22Å; F31-L75 HydrophobicContact CG-CD2 4.05Å; F31-A78 HydrophobicContact CE2-CB 3.38Å; F31-A78 HydrophobicContact CZ-CB 3.6Å |
| 32 | E | 84.5 | Confident | 76.9 | Confident | 97 Ų | 97 | 64.8 Ų | 64.8 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 179.3 | -67.7 | -60.5 | 163.4 | 0 | 0 | 110.7 | Q28 Q29 K35 E36 | Q28-E32 WeakPolarHBondContact O-CG 3.23Å; Q28-E32 PolarHBondContact O-N 3.46Å; Q29-E32 PolarHBondContact O-N 2.92Å; E32-K35 PolarHBondContact O-N 3.15Å; E32-E36 WeakPolarHBondContact O-CB 3.35Å; E32-E36 PolarHBondContact O-N 2.64Å |
| 33 | E | 88.4 | Confident | 79 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 38% | 0.379 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 178 | -171.2 | 176.2 | -176.1 | 0 | 0 | 112.3 | Q29 F31 K35 E36 I37 V57 V61 | Q29-E33 WeakPolarHBondContact O-CB 3.44Å; Q29-E33 PolarHBondContact O-N 3.28Å; F31-E33 VanDerWaalsContact C-N 3.31Å; F31-E33 PolarHBondContact O-N 3.48Å; E33-K35 VanDerWaalsContact C-N 3.34Å; E33-K35 PolarHBondContact O-N 3.45Å; E33-E36 PolarHBondContact O-N 3.25Å; E33-I37 HydrophobicContact CG-CD1 4.19Å; E33-I37 WeakPolarHBondContact O-CB 3.25Å; E33-I37 VanDerWaalsContact O-CG1 3.25Å; E33-I37 WeakPolarHBondContact O-CG1 3.48Å; E33-I37 PolarHBondContact O-N 3.18Å; E33-V57 WeakPolarHBondContact OE1-CG1 3.24Å; E33-V61 HydrophobicContact CG-CG2 4.33Å; E33-V61 WeakPolarHBondContact OE2-CG2 3.42Å |
| 34 | L | 90.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.2 | -69.4 | 174.1 | 0 | 0 | 0 | 111.9 | C30 F31 V38 F58 V61 V62 I79 | C30-L34 WeakPolarHBondContact O-CB 3.49Å; C30-L34 WeakPolarHBondContact O-CG 3.34Å; C30-L34 PolarHBondContact O-N 2.98Å; F31-L34 PolarHBondContact O-N 2.9Å; L34-V38 VanDerWaalsContact O-CG2 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.3Å; L34-V38 PolarHBondContact O-N 2.99Å; L34-V38 VanDerWaalsContact O-N 3.09Å; L34-F58 HydrophobicContact CD2-CD2 3.48Å; L34-F58 VanDerWaalsContact CD2-CD2 3.48Å; L34-F58 HydrophobicContact CD2-CE2 3.52Å; L34-F58 HydrophobicContact CD2-CG 4.09Å; L34-F58 HydrophobicContact CD2-CZ 4.13Å; L34-V61 HydrophobicContact CD1-CG1 4.08Å; L34-V61 HydrophobicContact CD2-CB 3.95Å; L34-V61 HydrophobicContact CD2-CG1 3.78Å; L34-V61 HydrophobicContact CG-CB 4.44Å; L34-V61 HydrophobicContact CG-CG1 3.74Å; L34-V62 HydrophobicContact CD1-CG2 4.37Å; L34-V62 HydrophobicContact CD2-CG2 3.82Å; L34-I79 HydrophobicContact CB-CD1 3.54Å; L34-I79 HydrophobicContact CB-CG1 4.49Å; L34-I79 HydrophobicContact CD1-CD1 4.02Å; L34-I79 HydrophobicContact CG-CD1 4.42Å |
| 35 | K | 88.6 | Confident | 82.4 | Confident | 86 Ų | 86 | 57 Ų | 57 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 178.8 | -174 | -177.9 | 176.4 | -169.5 | 0 | 111.4 | F31 E32 E33 V38 C39 | F31-K35 HydrophobicContact CE1-CD 4.12Å; F31-K35 HydrophobicContact CZ-CD 4.28Å; F31-K35 WeakPolarHBondContact O-CB 3.46Å; F31-K35 PolarHBondContact O-N 3.27Å; E32-K35 PolarHBondContact O-N 3.15Å; E33-K35 VanDerWaalsContact C-N 3.34Å; E33-K35 PolarHBondContact O-N 3.45Å; K35-V38 PolarHBondContact O-N 3.49Å; K35-C39 WeakPolarHBondContact O-CB 3.37Å; K35-C39 PolarHBondContact O-N 3.19Å; K35-C39 PolarHBondContact O-SG 2.96Å |
| 36 | E | 88.4 | Confident | 82.5 | Confident | 127 Ų | 127 | 57.4 Ų | 57.4 | 59% | 0.593 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 176.4 | -176 | 176.8 | -174.7 | 0 | 0 | 111.3 | E32 E33 V38 C39 N40 | E32-E36 WeakPolarHBondContact O-CB 3.35Å; E32-E36 PolarHBondContact O-N 2.64Å; E33-E36 PolarHBondContact O-N 3.25Å; E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.36Å; E36-C39 PolarHBondContact O-N 3.4Å; E36-N40 WeakPolarHBondContact CG-ND2 3.31Å; E36-N40 WeakPolarHBondContact O-CB 3.28Å; E36-N40 PolarHBondContact O-N 2.92Å; E36-N40 PolarHBondContact O-ND2 3.47Å |
| 37 | I | 90.5 | Very high | 82.3 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.8 | -49.6 | 175.8 | -73 | 166.4 | 0 | 0 | 0 | 110.7 | E33 L41 I54 V57 F58 | E33-I37 HydrophobicContact CG-CD1 4.19Å; E33-I37 WeakPolarHBondContact O-CB 3.25Å; E33-I37 VanDerWaalsContact O-CG1 3.25Å; E33-I37 WeakPolarHBondContact O-CG1 3.48Å; E33-I37 PolarHBondContact O-N 3.18Å; I37-L41 PolarHBondContact O-N 2.98Å; I37-I54 HydrophobicContact CG2-CG2 3.44Å; I37-I54 VanDerWaalsContact CG2-CG2 3.44Å; I37-V57 HydrophobicContact CD1-CG1 3.88Å; I37-F58 HydrophobicContact CB-CD2 4.46Å; I37-F58 HydrophobicContact CD1-CB 4.4Å; I37-F58 HydrophobicContact CD1-CD2 4.44Å; I37-F58 HydrophobicContact CG2-CD2 3.88Å |
| 38 | V | 91.2 | Very high | 81.6 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -44.9 | -177.9 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | L34 K35 E36 N40 L41 F58 I79 T82 L83 Y86 L103 | L34-V38 VanDerWaalsContact O-CG2 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.3Å; L34-V38 PolarHBondContact O-N 2.99Å; L34-V38 VanDerWaalsContact O-N 3.09Å; K35-V38 PolarHBondContact O-N 3.49Å; E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.36Å; V38-N40 VanDerWaalsContact C-N 3.33Å; V38-N40 PolarHBondContact O-N 3.27Å; V38-L41 WeakPolarHBondContact O-CB 3.25Å; V38-L41 PolarHBondContact O-N 2.87Å; V38-F58 HydrophobicContact CG2-CE2 3.97Å; V38-I79 HydrophobicContact CB-CG2 4.18Å; V38-I79 HydrophobicContact CG1-CG2 4.26Å; V38-I79 HydrophobicContact CG2-CG2 3.45Å; V38-I79 VanDerWaalsContact CG2-CG2 3.45Å; V38-T82 HydrophobicContact CG1-CG2 3.71Å; V38-L83 HydrophobicContact CB-CD2 4.43Å; V38-L83 HydrophobicContact CG1-CD2 3.75Å; V38-L83 HydrophobicContact CG1-CG 3.78Å; V38-L83 HydrophobicContact CG2-CD1 4.23Å; V38-L83 HydrophobicContact CG2-CD2 3.99Å; V38-L83 HydrophobicContact CG2-CG 4.14Å; V38-Y86 WeakPolarHBondContact O-CE2 3.49Å; V38-L103 HydrophobicContact CG2-CD1 4.38Å |
| 39 | C | 88.7 | Confident | 81 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.6 | -30.6 | 179.7 | -72.9 | 0 | 0 | 0 | 0 | 113.6 | K35 E36 | K35-C39 WeakPolarHBondContact O-CB 3.37Å; K35-C39 PolarHBondContact O-N 3.19Å; K35-C39 PolarHBondContact O-SG 2.96Å; E36-C39 PolarHBondContact O-N 3.4Å |
| 40 | N | 88.2 | Confident | 80.7 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -88.3 | -6.4 | 179.2 | -76 | -40.4 | 0 | 0 | 0 | 113.7 | E36 V38 P42 K43 V44 | E36-N40 WeakPolarHBondContact CG-ND2 3.31Å; E36-N40 WeakPolarHBondContact O-CB 3.28Å; E36-N40 PolarHBondContact O-N 2.92Å; E36-N40 PolarHBondContact O-ND2 3.47Å; V38-N40 VanDerWaalsContact C-N 3.33Å; V38-N40 PolarHBondContact O-N 3.27Å; N40-P42 VanDerWaalsContact C-CD 3.49Å; N40-K43 WeakPolarHBondContact O-CB 3.25Å; N40-K43 PolarHBondContact O-N 3.3Å; N40-K43 PolarHBondContact OD1-NZ 3.01Å; N40-V44 WeakPolarHBondContact O-CG2 3.38Å; N40-V44 PolarHBondContact O-N 3.44Å |
| 41 | L | 89 | Confident | 80.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -51.2 | -44.6 | -175.7 | -171.3 | 66.4 | 0 | 0 | 0 | 114.1 | I37 V38 K43 V44 V45 F51 L83 Y86 L96 D99 S100 L103 | I37-L41 PolarHBondContact O-N 2.98Å; V38-L41 WeakPolarHBondContact O-CB 3.25Å; V38-L41 PolarHBondContact O-N 2.87Å; L41-K43 VanDerWaalsContact C-N 3.28Å; L41-K43 PolarHBondContact O-N 3.43Å; L41-V44 PolarHBondContact O-N 3.33Å; L41-V45 WeakPolarHBondContact O-CG2 3.36Å; L41-V45 PolarHBondContact O-N 2.94Å; L41-V45 VanDerWaalsContact O-N 3.11Å; L41-F51 HydrophobicContact CD1-CD2 3.89Å; L41-F51 HydrophobicContact CD1-CE2 3.72Å; L41-L83 HydrophobicContact CD2-CD2 4.43Å; L41-Y86 HydrophobicContact CB-CE2 4.35Å; L41-Y86 HydrophobicContact CD2-CD2 4.32Å; L41-L96 HydrophobicContact CB-CD1 4.28Å; L41-L96 HydrophobicContact CD2-CD1 3.79Å; L41-L96 HydrophobicContact CG-CD1 3.69Å; L41-D99 HydrophobicContact CD1-CB 4.37Å; L41-D99 HydrophobicContact CD2-CB 4.47Å; L41-S100 WeakPolarHBondContact CD2-OG 3.46Å; L41-L103 HydrophobicContact CD1-CD1 4.44Å; L41-L103 HydrophobicContact CD2-CD1 3.97Å |
| 42 | P | 85.7 | Confident | 81 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 31% | 0.312 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -33.1 | 177.4 | -23.2 | 34.5 | 0 | 0 | 0 | 114 | N40 G46 Y86 L96 | N40-P42 VanDerWaalsContact C-CD 3.49Å; P42-G46 PolarHBondContact O-N 2.94Å; P42-G46 VanDerWaalsContact O-N 3.13Å; P42-Y86 WeakPolarHBondContact CD-OH 3.45Å; P42-Y86 HydrophobicContact CG-CD1 4.38Å; P42-Y86 HydrophobicContact CG-CE1 3.62Å; P42-Y86 HydrophobicContact CG-CE2 4.1Å; P42-Y86 VanDerWaalsContact CG-CZ 3.46Å; P42-Y86 WeakPolarHBondContact CG-OH 3.48Å; P42-L96 HydrophobicContact CB-CD1 4.48Å; P42-L96 HydrophobicContact CB-CD2 4.22Å; P42-L96 HydrophobicContact CG-CD1 4.13Å; P42-L96 HydrophobicContact CG-CD2 4.11Å |
| 43 | K | 82.9 | Confident | 81 | Confident | 135 Ų | 135 | 67 Ų | 67 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.5 | -36.7 | 178.9 | -61.6 | 176.9 | -173.3 | 160.2 | 0 | 111.6 | N40 L41 K47 | N40-K43 WeakPolarHBondContact O-CB 3.25Å; N40-K43 PolarHBondContact O-N 3.3Å; N40-K43 PolarHBondContact OD1-NZ 3.01Å; L41-K43 VanDerWaalsContact C-N 3.28Å; L41-K43 PolarHBondContact O-N 3.43Å; K43-K47 WeakPolarHBondContact O-CG 3.33Å; K43-K47 PolarHBondContact O-N 3.34Å |
| 44 | V | 78.3 | Confident | 81 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.4 | -48.8 | 179.9 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | N40 L41 G46 K47 G48 E49 I54 | N40-V44 WeakPolarHBondContact O-CG2 3.38Å; N40-V44 PolarHBondContact O-N 3.44Å; L41-V44 PolarHBondContact O-N 3.33Å; V44-G46 VanDerWaalsContact C-N 3.27Å; V44-G46 PolarHBondContact O-N 2.96Å; V44-K47 PolarHBondContact O-N 3.45Å; V44-K47 VanDerWaalsContact O-N 3.11Å; V44-G48 PolarHBondContact O-N 3.18Å; V44-E49 HydrophobicContact CG1-CB 3.82Å; V44-I54 HydrophobicContact CB-CD1 3.84Å; V44-I54 HydrophobicContact CG1-CD1 3.34Å; V44-I54 HydrophobicContact CG1-CG1 4.41Å; V44-I54 HydrophobicContact CG2-CD1 3.34Å |
| 45 | V | 74.3 | Confident | 80.9 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 21% | 0.212 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 178.4 | 176 | 0 | 0 | 0 | 0 | 110.7 | L41 K47 F95 L96 | L41-V45 WeakPolarHBondContact O-CG2 3.36Å; L41-V45 PolarHBondContact O-N 2.94Å; L41-V45 VanDerWaalsContact O-N 3.11Å; V45-K47 VanDerWaalsContact C-N 3.33Å; V45-K47 PolarHBondContact O-N 3.37Å; V45-F95 HydrophobicContact CG1-CB 3.66Å; V45-L96 HydrophobicContact CG1-CB 4.39Å; V45-L96 HydrophobicContact CG2-CB 4.45Å; V45-L96 HydrophobicContact CG2-CD1 4.25Å |
| 46 | G | 67.1 | Low | 80.9 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 73% | 0.732 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.9 | -23.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P42 V44 | P42-G46 PolarHBondContact O-N 2.94Å; P42-G46 VanDerWaalsContact O-N 3.13Å; V44-G46 VanDerWaalsContact C-N 3.27Å; V44-G46 PolarHBondContact O-N 2.96Å |
| 47 | K | 64.9 | Low | 81 | Confident | 152 Ų | 152 | 61.2 Ų | 61.2 | 66% | 0.661 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -91.8 | -9.3 | -179.2 | -76.7 | -178.9 | 178.3 | -175.9 | 0 | 114.4 | K43 V44 V45 E49 | K43-K47 WeakPolarHBondContact O-CG 3.33Å; K43-K47 PolarHBondContact O-N 3.34Å; V44-K47 PolarHBondContact O-N 3.45Å; V44-K47 VanDerWaalsContact O-N 3.11Å; V45-K47 VanDerWaalsContact C-N 3.33Å; V45-K47 PolarHBondContact O-N 3.37Å; K47-E49 HydrophobicContact CB-CG 4.1Å; K47-E49 WeakPolarHBondContact CD-OE1 3.5Å; K47-E49 IonicContact NZ-OE1 3.93Å; K47-E49 PolarHBondContact O-N 2.91Å |
| 48 | G | 56.7 | Low | 81.1 | Confident | 70 Ų | 70 | 60 Ų | 60 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 21.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V44 | V44-G48 PolarHBondContact O-N 3.18Š|
| 49 | E | 61.7 | Low | 81.1 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | trans | -66.7 | 149.2 | 171.3 | -74.9 | 175.7 | -164.3 | 0 | 0 | 110.3 | V44 K47 F51 | V44-E49 HydrophobicContact CG1-CB 3.82Å; K47-E49 HydrophobicContact CB-CG 4.1Å; K47-E49 WeakPolarHBondContact CD-OE1 3.5Å; K47-E49 IonicContact NZ-OE1 3.93Å; K47-E49 PolarHBondContact O-N 2.91Å; E49-F51 PolarHBondContact O-N 3.26Å | ||
| 50 | S | 72.4 | Confident | 81.2 | Confident | 58 Ų | 58 | 62 Ų | 62 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | trans | -68.1 | 99.9 | -175.8 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | D52 R53 | S50-D52 PolarHBondContact O-N 3.49Å; S50-D52 VanDerWaalsContact O-N 3.09Å; S50-R53 PolarHBondContact O-N 2.98Å; S50-R53 VanDerWaalsContact OG-CD 3.32Å; S50-R53 WeakPolarHBondContact OG-CD 3.41Å; S50-R53 VanDerWaalsContact OG-CG 3.31Å; S50-R53 WeakPolarHBondContact OG-CG 3.34Å | ||
| 51 | F | 84.7 | Confident | 81.3 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -51.3 | -31.9 | 173.8 | 173.4 | -101.2 | 0 | 0 | 0 | 112.6 | L41 E49 R53 I54 L55 D99 K102 L103 | L41-F51 HydrophobicContact CD1-CD2 3.89Å; L41-F51 HydrophobicContact CD1-CE2 3.72Å; E49-F51 PolarHBondContact O-N 3.26Å; F51-R53 PolarHBondContact O-N 3.31Å; F51-I54 PolarHBondContact O-N 2.96Å; F51-L55 HydrophobicContact CD1-CB 4.3Å; F51-L55 HydrophobicContact CE1-CB 3.79Å; F51-L55 HydrophobicContact CE1-CD1 4.41Å; F51-L55 HydrophobicContact CE1-CD2 3.94Å; F51-L55 HydrophobicContact CE1-CG 4.25Å; F51-L55 HydrophobicContact CZ-CB 3.99Å; F51-L55 HydrophobicContact CZ-CD1 4.25Å; F51-L55 HydrophobicContact CZ-CG 4.49Å; F51-L55 PolarHBondContact O-N 3.09Å; F51-D99 HydrophobicContact CD1-CB 4.38Å; F51-D99 WeakPolarHBondContact CD1-OD1 3.48Å; F51-D99 HydrophobicContact CD2-CB 3.73Å; F51-D99 VanDerWaalsContact CD2-CG 3.41Å; F51-D99 WeakPolarHBondContact CD2-OD2 3.39Å; F51-D99 HydrophobicContact CE1-CB 4.08Å; F51-D99 VanDerWaalsContact CE1-OD1 3.3Å; F51-D99 WeakPolarHBondContact CE1-OD1 3.43Å; F51-D99 HydrophobicContact CE2-CB 3.4Å; F51-D99 HydrophobicContact CG-CB 4.21Å; F51-D99 VanDerWaalsContact CG-CG 3.4Å; F51-D99 WeakPolarHBondContact CG-OD1 3.04Å; F51-D99 VanDerWaalsContact CG-OD2 3.32Å; F51-D99 WeakPolarHBondContact CG-OD2 3.42Å; F51-D99 HydrophobicContact CZ-CB 3.57Å; F51-K102 HydrophobicContact CD1-CD 4.26Å; F51-K102 HydrophobicContact CE1-CB 4.07Å; F51-K102 HydrophobicContact CE1-CD 3.46Å; F51-K102 VanDerWaalsContact CE1-CD 3.46Å; F51-K102 HydrophobicContact CE1-CG 4.38Å; F51-K102 HydrophobicContact CZ-CB 4.06Å; F51-K102 HydrophobicContact CZ-CD 4.23Å; F51-L103 HydrophobicContact CE2-CD2 4.45Å; F51-L103 HydrophobicContact CE2-CG 4.47Å; F51-L103 HydrophobicContact CZ-CD2 4.27Å; F51-L103 HydrophobicContact CZ-CG 4.34Å |
| 52 | D | 84.9 | Confident | 81.4 | Confident | 109 Ų | 109 | 59.9 Ų | 59.9 | 58% | 0.583 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -54.7 | -36.1 | 177.2 | -67 | -29.6 | 0 | 0 | 0 | 113.7 | S50 A56 | S50-D52 PolarHBondContact O-N 3.49Å; S50-D52 VanDerWaalsContact O-N 3.09Å; D52-A56 VanDerWaalsContact O-CB 3.32Å; D52-A56 WeakPolarHBondContact O-CB 3.2Å; D52-A56 PolarHBondContact O-N 3.25Å |
| 53 | R | 84.8 | Confident | 81.6 | Confident | 167 Ų | 167 | 63.1 Ų | 63.1 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.8 | -43.9 | 175.7 | -74.3 | -177.9 | -177.7 | -175.9 | -2.7 | 111.1 | S50 F51 A56 V57 | S50-R53 PolarHBondContact O-N 2.98Å; S50-R53 VanDerWaalsContact OG-CD 3.32Å; S50-R53 WeakPolarHBondContact OG-CD 3.41Å; S50-R53 VanDerWaalsContact OG-CG 3.31Å; S50-R53 WeakPolarHBondContact OG-CG 3.34Å; F51-R53 PolarHBondContact O-N 3.31Å; R53-A56 PolarHBondContact O-N 2.96Å; R53-V57 WeakPolarHBondContact O-CG2 3.25Å; R53-V57 PolarHBondContact O-N 3.02Å |
| 54 | I | 86.7 | Confident | 81.7 | Confident | 34 Ų | 34 | 61 Ų | 61 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 178.6 | -60.7 | -166 | 0 | 0 | 0 | 110.8 | I37 V44 F51 A56 V57 F58 | I37-I54 HydrophobicContact CG2-CG2 3.44Å; I37-I54 VanDerWaalsContact CG2-CG2 3.44Å; V44-I54 HydrophobicContact CB-CD1 3.84Å; V44-I54 HydrophobicContact CG1-CD1 3.34Å; V44-I54 HydrophobicContact CG1-CG1 4.41Å; V44-I54 HydrophobicContact CG2-CD1 3.34Å; F51-I54 PolarHBondContact O-N 2.96Å; I54-A56 VanDerWaalsContact C-N 3.3Å; I54-A56 PolarHBondContact O-N 3.49Å; I54-V57 PolarHBondContact O-N 3.2Å; I54-F58 WeakPolarHBondContact O-CB 3.24Å; I54-F58 PolarHBondContact O-N 2.91Å |
| 55 | L | 89.3 | Confident | 82.2 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -42.2 | 175.6 | -179.2 | 62.9 | 0 | 0 | 0 | 111.2 | F51 F58 I59 K102 L103 | F51-L55 HydrophobicContact CD1-CB 4.3Å; F51-L55 HydrophobicContact CE1-CB 3.79Å; F51-L55 HydrophobicContact CE1-CD1 4.41Å; F51-L55 HydrophobicContact CE1-CD2 3.94Å; F51-L55 HydrophobicContact CE1-CG 4.25Å; F51-L55 HydrophobicContact CZ-CB 3.99Å; F51-L55 HydrophobicContact CZ-CD1 4.25Å; F51-L55 HydrophobicContact CZ-CG 4.49Å; F51-L55 PolarHBondContact O-N 3.09Å; L55-F58 PolarHBondContact O-N 3.27Å; L55-I59 HydrophobicContact CD1-CD1 3.85Å; L55-I59 HydrophobicContact CD1-CG1 4.09Å; L55-I59 HydrophobicContact CD2-CD1 4.37Å; L55-I59 HydrophobicContact CG-CD1 3.75Å; L55-I59 HydrophobicContact CG-CG1 4.36Å; L55-I59 WeakPolarHBondContact O-CB 3.5Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.22Å; L55-I59 PolarHBondContact O-N 2.71Å; L55-K102 HydrophobicContact CD1-CB 4.3Å; L55-K102 HydrophobicContact CD2-CB 4.5Å; L55-K102 HydrophobicContact CD2-CD 4.47Å; L55-L103 HydrophobicContact CD1-CD2 3.82Å |
| 56 | A | 88.5 | Confident | 82.7 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 49% | 0.488 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D52 R53 I54 S60 | D52-A56 VanDerWaalsContact O-CB 3.32Å; D52-A56 WeakPolarHBondContact O-CB 3.2Å; D52-A56 PolarHBondContact O-N 3.25Å; R53-A56 PolarHBondContact O-N 2.96Å; I54-A56 VanDerWaalsContact C-N 3.3Å; I54-A56 PolarHBondContact O-N 3.49Å; A56-S60 WeakPolarHBondContact O-CB 3.26Å; A56-S60 PolarHBondContact O-N 2.91Å |
| 57 | V | 89.4 | Confident | 83.1 | Confident | 59 Ų | 59 | 70.3 Ų | 70.3 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | E33 I37 R53 I54 I59 S60 V61 | E33-V57 WeakPolarHBondContact OE1-CG1 3.24Å; I37-V57 HydrophobicContact CD1-CG1 3.88Å; R53-V57 WeakPolarHBondContact O-CG2 3.25Å; R53-V57 PolarHBondContact O-N 3.02Å; I54-V57 PolarHBondContact O-N 3.2Å; V57-I59 PolarHBondContact O-N 3.21Å; V57-S60 WeakPolarHBondContact O-CA 3.38Å; V57-S60 WeakPolarHBondContact O-CB 3.26Å; V57-S60 PolarHBondContact O-N 2.94Å; V57-S60 PolarHBondContact O-OG 3.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.45Å; V57-V61 PolarHBondContact O-N 3.43Å |
| 58 | F | 92.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 179 | -172.4 | -87.9 | 0 | 0 | 0 | 112.4 | L34 I37 V38 I54 L55 S60 V61 V62 L103 A106 L107 | L34-F58 HydrophobicContact CD2-CD2 3.48Å; L34-F58 VanDerWaalsContact CD2-CD2 3.48Å; L34-F58 HydrophobicContact CD2-CE2 3.52Å; L34-F58 HydrophobicContact CD2-CG 4.09Å; L34-F58 HydrophobicContact CD2-CZ 4.13Å; I37-F58 HydrophobicContact CB-CD2 4.46Å; I37-F58 HydrophobicContact CD1-CB 4.4Å; I37-F58 HydrophobicContact CD1-CD2 4.44Å; I37-F58 HydrophobicContact CG2-CD2 3.88Å; V38-F58 HydrophobicContact CG2-CE2 3.97Å; I54-F58 WeakPolarHBondContact O-CB 3.24Å; I54-F58 PolarHBondContact O-N 2.91Å; L55-F58 PolarHBondContact O-N 3.27Å; F58-S60 VanDerWaalsContact C-N 3.28Å; F58-S60 PolarHBondContact O-N 2.73Å; F58-V61 PolarHBondContact O-N 3.19Å; F58-V62 HydrophobicContact CD1-CG2 3.9Å; F58-V62 HydrophobicContact CE1-CG2 3.64Å; F58-V62 HydrophobicContact CZ-CG2 4.09Å; F58-V62 VanDerWaalsContact O-CG2 3.31Å; F58-V62 WeakPolarHBondContact O-CG2 3.48Å; F58-V62 PolarHBondContact O-N 2.76Å; F58-L103 HydrophobicContact CB-CD2 3.83Å; F58-L103 HydrophobicContact CD1-CB 4.46Å; F58-L103 HydrophobicContact CD1-CD2 3.63Å; F58-L103 HydrophobicContact CD2-CD2 3.95Å; F58-L103 HydrophobicContact CE1-CB 4.07Å; F58-L103 HydrophobicContact CE1-CD2 4.1Å; F58-L103 HydrophobicContact CE2-CD2 4.38Å; F58-L103 HydrophobicContact CG-CD2 3.54Å; F58-L103 HydrophobicContact CZ-CB 4.12Å; F58-L103 HydrophobicContact CZ-CD2 4.45Å; F58-A106 HydrophobicContact CD1-CB 4.11Å; F58-A106 HydrophobicContact CE1-CB 4.09Å; F58-L107 HydrophobicContact CE1-CD2 4.17Å; F58-L107 HydrophobicContact CE1-CG 3.97Å; F58-L107 HydrophobicContact CZ-CD1 4.13Å; F58-L107 HydrophobicContact CZ-CD2 3.96Å; F58-L107 HydrophobicContact CZ-CG 3.88Å |
| 59 | I | 92.3 | Very high | 85.3 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 175.3 | -72.2 | 171.5 | 0 | 0 | 0 | 110.8 | L55 V57 K63 A106 | L55-I59 HydrophobicContact CD1-CD1 3.85Å; L55-I59 HydrophobicContact CD1-CG1 4.09Å; L55-I59 HydrophobicContact CD2-CD1 4.37Å; L55-I59 HydrophobicContact CG-CD1 3.75Å; L55-I59 HydrophobicContact CG-CG1 4.36Å; L55-I59 WeakPolarHBondContact O-CB 3.5Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.22Å; L55-I59 PolarHBondContact O-N 2.71Å; V57-I59 PolarHBondContact O-N 3.21Å; I59-K63 HydrophobicContact CG2-CD 3.68Å; I59-K63 VanDerWaalsContact CG2-CE 3.41Å; I59-K63 HydrophobicContact CG2-CG 4.09Å; I59-K63 VanDerWaalsContact O-CB 3.22Å; I59-K63 WeakPolarHBondContact O-CB 3.4Å; I59-K63 VanDerWaalsContact O-CG 3.26Å; I59-K63 WeakPolarHBondContact O-CG 3.23Å; I59-K63 PolarHBondContact O-N 3.49Å; I59-A106 HydrophobicContact CG1-CB 3.85Å |
| 60 | S | 90.5 | Very high | 86.4 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.8 | 82.1 | 0 | 0 | 0 | 0 | 111.7 | A56 V57 F58 Q64 | A56-S60 WeakPolarHBondContact O-CB 3.26Å; A56-S60 PolarHBondContact O-N 2.91Å; V57-S60 WeakPolarHBondContact O-CA 3.38Å; V57-S60 WeakPolarHBondContact O-CB 3.26Å; V57-S60 PolarHBondContact O-N 2.94Å; V57-S60 PolarHBondContact O-OG 3.44Å; F58-S60 VanDerWaalsContact C-N 3.28Å; F58-S60 PolarHBondContact O-N 2.73Å; S60-Q64 WeakPolarHBondContact O-CG 3.38Å |
| 61 | V | 90.4 | Very high | 87 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68 | -48.9 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | C30 E33 L34 V57 F58 K63 Q64 F65 | C30-V61 HydrophobicContact CB-CG1 3.83Å; E33-V61 HydrophobicContact CG-CG2 4.33Å; E33-V61 WeakPolarHBondContact OE2-CG2 3.42Å; L34-V61 HydrophobicContact CD1-CG1 4.08Å; L34-V61 HydrophobicContact CD2-CB 3.95Å; L34-V61 HydrophobicContact CD2-CG1 3.78Å; L34-V61 HydrophobicContact CG-CB 4.44Å; L34-V61 HydrophobicContact CG-CG1 3.74Å; V57-V61 WeakPolarHBondContact O-CG2 3.45Å; V57-V61 PolarHBondContact O-N 3.43Å; F58-V61 PolarHBondContact O-N 3.19Å; V61-K63 VanDerWaalsContact C-N 3.33Å; V61-K63 PolarHBondContact O-N 2.81Å; V61-Q64 WeakPolarHBondContact O-CB 3.02Å; V61-Q64 PolarHBondContact O-N 3.03Å; V61-Q64 VanDerWaalsContact O-N 3.16Å; V61-F65 HydrophobicContact CG1-CE2 4.47Å; V61-F65 WeakPolarHBondContact O-CD2 3.33Å |
| 62 | V | 90.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.4 | -36 | -179.3 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | L34 F58 Q64 F65 L107 V110 | L34-V62 HydrophobicContact CD1-CG2 4.37Å; L34-V62 HydrophobicContact CD2-CG2 3.82Å; F58-V62 HydrophobicContact CD1-CG2 3.9Å; F58-V62 HydrophobicContact CE1-CG2 3.64Å; F58-V62 HydrophobicContact CZ-CG2 4.09Å; F58-V62 VanDerWaalsContact O-CG2 3.31Å; F58-V62 WeakPolarHBondContact O-CG2 3.48Å; F58-V62 PolarHBondContact O-N 2.76Å; V62-Q64 PolarHBondContact O-N 2.99Å; V62-F65 WeakPolarHBondContact O-CB 3.41Å; V62-F65 PolarHBondContact O-N 2.96Å; V62-F65 VanDerWaalsContact O-N 3.09Å; V62-L107 HydrophobicContact CG1-CD2 4.12Å; V62-L107 HydrophobicContact CG2-CD2 3.79Å; V62-V110 HydrophobicContact CG1-CB 3.76Å; V62-V110 HydrophobicContact CG1-CG1 4.25Å; V62-V110 HydrophobicContact CG1-CG2 3.67Å |
| 63 | K | 90 | Very high | 87.3 | Confident | 116 Ų | 116 | 67 Ų | 67 | 50% | 0.504 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -23.9 | 177.4 | -83.8 | 178.2 | 178 | 170 | 0 | 113.4 | I59 V61 F65 K66 | I59-K63 HydrophobicContact CG2-CD 3.68Å; I59-K63 VanDerWaalsContact CG2-CE 3.41Å; I59-K63 HydrophobicContact CG2-CG 4.09Å; I59-K63 VanDerWaalsContact O-CB 3.22Å; I59-K63 WeakPolarHBondContact O-CB 3.4Å; I59-K63 VanDerWaalsContact O-CG 3.26Å; I59-K63 WeakPolarHBondContact O-CG 3.23Å; I59-K63 PolarHBondContact O-N 3.49Å; V61-K63 VanDerWaalsContact C-N 3.33Å; V61-K63 PolarHBondContact O-N 2.81Å; K63-F65 PolarHBondContact O-N 3.02Å; K63-K66 WeakPolarHBondContact O-CB 3.3Å; K63-K66 PolarHBondContact O-N 2.95Å; K63-K66 VanDerWaalsContact O-N 3.07Å |
| 64 | Q | 86.2 | Confident | 87.3 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -63.1 | -23.8 | 175.7 | -64 | 169.5 | 15.3 | 0 | 0 | 111.8 | F26 S60 V61 V62 K66 | F26-Q64 VanDerWaalsContact CE2-OE1 3.23Å; F26-Q64 HydrophobicContact CZ-CB 4.13Å; S60-Q64 WeakPolarHBondContact O-CG 3.38Å; V61-Q64 WeakPolarHBondContact O-CB 3.02Å; V61-Q64 PolarHBondContact O-N 3.03Å; V61-Q64 VanDerWaalsContact O-N 3.16Å; V62-Q64 PolarHBondContact O-N 2.99Å; Q64-K66 VanDerWaalsContact C-N 3.33Å; Q64-K66 PolarHBondContact O-N 3.02Å |
| 65 | F | 87.2 | Confident | 87.2 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -83.6 | 0.4 | 176.3 | -60.2 | -91.5 | 0 | 0 | 0 | 114.1 | C30 V61 V62 K63 E67 H68 R69 L71 L72 L75 V110 | C30-F65 HydrophobicContact CB-CE2 4.16Å; C30-F65 HydrophobicContact CB-CZ 3.88Å; V61-F65 HydrophobicContact CG1-CE2 4.47Å; V61-F65 WeakPolarHBondContact O-CD2 3.33Å; V62-F65 WeakPolarHBondContact O-CB 3.41Å; V62-F65 PolarHBondContact O-N 2.96Å; V62-F65 VanDerWaalsContact O-N 3.09Å; K63-F65 PolarHBondContact O-N 3.02Å; F65-E67 VanDerWaalsContact C-N 3.28Å; F65-E67 PolarHBondContact O-N 3.38Å; F65-H68 CarbonylContact O-C 3.58Å; F65-H68 PolarHBondContact O-N 3.22Å; F65-R69 VanDerWaalsContact O-CA 3.22Å; F65-R69 WeakPolarHBondContact O-CA 3.25Å; F65-R69 PolarHBondContact O-N 3.45Å; F65-L71 HydrophobicContact CD1-CB 3.89Å; F65-L71 HydrophobicContact CE1-CB 4.28Å; F65-L72 HydrophobicContact CD2-CD1 4.11Å; F65-L72 HydrophobicContact CE2-CD1 4.33Å; F65-L72 HydrophobicContact CG-CD1 4.22Å; F65-L75 HydrophobicContact CE1-CD1 3.95Å; F65-L75 HydrophobicContact CZ-CD1 3.7Å; F65-V110 HydrophobicContact CB-CG1 4.33Å |
| 66 | K | 85.2 | Confident | 87.2 | Confident | 133 Ų | 133 | 62 Ų | 62 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -62 | -31.7 | -172.3 | -172.3 | 175.7 | 179.5 | 179 | 0 | 113.9 | K63 Q64 R69 V110 | K63-K66 WeakPolarHBondContact O-CB 3.3Å; K63-K66 PolarHBondContact O-N 2.95Å; K63-K66 VanDerWaalsContact O-N 3.07Å; Q64-K66 VanDerWaalsContact C-N 3.33Å; Q64-K66 PolarHBondContact O-N 3.02Å; K66-R69 WeakPolarHBondContact O-CG 3.34Å; K66-R69 PolarHBondContact O-NE 3.08Å; K66-V110 HydrophobicContact CB-CG1 4.46Å |
| 67 | E | 75.4 | Confident | 87.1 | Confident | 175 Ų | 175 | 62.7 Ų | 62.7 | 82% | 0.818 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -72.6 | -42.2 | 177.1 | -63 | -170.5 | 165.9 | 0 | 0 | 112 | F65 | F65-E67 VanDerWaalsContact C-N 3.28Å; F65-E67 PolarHBondContact O-N 3.38Å |
| 68 | H | 81.2 | Confident | 86.9 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -124.5 | 69.2 | -179.4 | -66.7 | 88.3 | 0 | 0 | 0 | 110.9 | F65 S70 L71 | F65-H68 CarbonylContact O-C 3.58Å; F65-H68 PolarHBondContact O-N 3.22Å; H68-S70 PolarHBondContact O-N 2.96Å; H68-S70 VanDerWaalsContact O-N 3.07Å; H68-L71 HydrophobicContact CB-CD1 3.63Å; H68-L71 HydrophobicContact CB-CG 3.88Å; H68-L71 WeakPolarHBondContact O-CB 3.22Å; H68-L71 WeakPolarHBondContact O-CG 3.34Å; H68-L71 PolarHBondContact O-N 3.38Å |
| 69 | R | 88.2 | Confident | 86.8 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -55.8 | -31.8 | -170.5 | -58.4 | 170.4 | -174 | -162.2 | 8.5 | 114.1 | F65 K66 L71 L72 V110 R111 | F65-R69 VanDerWaalsContact O-CA 3.22Å; F65-R69 WeakPolarHBondContact O-CA 3.25Å; F65-R69 PolarHBondContact O-N 3.45Å; K66-R69 WeakPolarHBondContact O-CG 3.34Å; K66-R69 PolarHBondContact O-NE 3.08Å; R69-L71 PolarHBondContact O-N 2.97Å; R69-L72 WeakPolarHBondContact O-CB 3.42Å; R69-L72 PolarHBondContact O-N 3.19Å; R69-V110 WeakPolarHBondContact CD-O 3.48Å; R69-V110 WeakPolarHBondContact CG-O 3.47Å; R69-R111 WeakPolarHBondContact O-CD 3.35Å |
| 70 | S | 84.4 | Confident | 86.7 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -66.5 | -18.8 | 179.1 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | H68 L72 D73 | H68-S70 PolarHBondContact O-N 2.96Å; H68-S70 VanDerWaalsContact O-N 3.07Å; S70-L72 PolarHBondContact O-N 3.07Å; S70-D73 VanDerWaalsContact O-CB 3.29Å; S70-D73 WeakPolarHBondContact O-CB 3.25Å; S70-D73 PolarHBondContact O-N 3.46Å |
| 71 | L | 85.3 | Confident | 86.8 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -66.8 | -13.8 | 174.4 | -63.4 | -179 | 0 | 0 | 0 | 112.8 | F65 H68 R69 P74 | F65-L71 HydrophobicContact CD1-CB 3.89Å; F65-L71 HydrophobicContact CE1-CB 4.28Å; H68-L71 HydrophobicContact CB-CD1 3.63Å; H68-L71 HydrophobicContact CB-CG 3.88Å; H68-L71 WeakPolarHBondContact O-CB 3.22Å; H68-L71 WeakPolarHBondContact O-CG 3.34Å; H68-L71 PolarHBondContact O-N 3.38Å; R69-L71 PolarHBondContact O-N 2.97Å; L71-P74 WeakPolarHBondContact O-CD 3.46Å |
| 72 | L | 88.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -76.6 | -24.3 | 171.4 | -161.3 | 71.4 | 0 | 0 | 0 | 112.1 | F65 R69 S70 L75 L76 L107 R111 | F65-L72 HydrophobicContact CD2-CD1 4.11Å; F65-L72 HydrophobicContact CE2-CD1 4.33Å; F65-L72 HydrophobicContact CG-CD1 4.22Å; R69-L72 WeakPolarHBondContact O-CB 3.42Å; R69-L72 PolarHBondContact O-N 3.19Å; S70-L72 PolarHBondContact O-N 3.07Å; L72-L75 HydrophobicContact CD1-CD1 4.29Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 2.93Å; L72-L76 HydrophobicContact CD2-CD2 3.87Å; L72-L76 HydrophobicContact CG-CD2 3.89Å; L72-L76 HydrophobicContact CG-CG 4.33Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 2.9Å; L72-L76 VanDerWaalsContact O-N 3.15Å; L72-L107 HydrophobicContact CD1-CD2 4.33Å; L72-L107 HydrophobicContact CD2-CD2 3.89Å; L72-R111 HydrophobicContact CD2-CB 3.78Å; L72-R111 HydrophobicContact CD2-CG 4.43Å |
| 73 | D | 87.1 | Confident | 87.1 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -43.2 | -173.2 | -70.4 | -26.7 | 0 | 0 | 0 | 113.9 | S70 L75 P77 R111 | S70-D73 VanDerWaalsContact O-CB 3.29Å; S70-D73 WeakPolarHBondContact O-CB 3.25Å; S70-D73 PolarHBondContact O-N 3.46Å; D73-L75 PolarHBondContact O-N 2.86Å; D73-P77 VanDerWaalsContact O-CD 3.27Å; D73-P77 WeakPolarHBondContact O-CD 3.42Å; D73-R111 VanDerWaalsContact CG-NH2 3.34Å; D73-R111 IonicContact OD1-CZ 2.83Å; D73-R111 VanDerWaalsContact OD1-CZ 3.28Å; D73-R111 IonicContact OD1-NE 3.12Å; D73-R111 PolarHBondContact OD1-NE 3.17Å; D73-R111 IonicContact OD1-NH2 2.67Å; D73-R111 PolarHBondContact OD1-NH2 2.72Å; D73-R111 VanDerWaalsContact OD1-NH2 3.09Å; D73-R111 IonicContact OD2-CZ 2.65Å; D73-R111 IonicContact OD2-NE 2.71Å; D73-R111 IonicContact OD2-NH2 3.96Å; D73-R111 PolarHBondContact OD2-NH2 3.46Å |
| 74 | P | 85 | Confident | 87.2 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 64% | 0.643 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.7 | 176.8 | -20.2 | 34.3 | 0 | 0 | 0 | 114.1 | L71 | L71-P74 WeakPolarHBondContact O-CD 3.46Š|
| 75 | L | 84.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -27.9 | -176.6 | -46.9 | -180 | 0 | 0 | 0 | 111.9 | F31 F65 L72 D73 A78 | F31-L75 HydrophobicContact CB-CD2 3.96Å; F31-L75 HydrophobicContact CD2-CB 4.2Å; F31-L75 HydrophobicContact CD2-CD2 3.41Å; F31-L75 VanDerWaalsContact CD2-CD2 3.41Å; F31-L75 HydrophobicContact CD2-CG 4.31Å; F31-L75 HydrophobicContact CE2-CD2 4.22Å; F31-L75 HydrophobicContact CG-CD2 4.05Å; F65-L75 HydrophobicContact CE1-CD1 3.95Å; F65-L75 HydrophobicContact CZ-CD1 3.7Å; L72-L75 HydrophobicContact CD1-CD1 4.29Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 2.93Å; D73-L75 PolarHBondContact O-N 2.86Å; L75-A78 PolarHBondContact O-N 3.35Å; L75-A78 VanDerWaalsContact O-N 3.16Å |
| 76 | L | 89.4 | Confident | 87.7 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54 | -46 | -178.6 | -65.2 | -179.2 | 0 | 0 | 0 | 113.6 | L72 A78 I79 L80 L107 R111 I116 | L72-L76 HydrophobicContact CD2-CD2 3.87Å; L72-L76 HydrophobicContact CG-CD2 3.89Å; L72-L76 HydrophobicContact CG-CG 4.33Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 2.9Å; L72-L76 VanDerWaalsContact O-N 3.15Å; L76-A78 PolarHBondContact O-N 3.05Å; L76-A78 VanDerWaalsContact O-N 3.16Å; L76-I79 PolarHBondContact O-N 3.2Å; L76-L80 HydrophobicContact CB-CD1 3.8Å; L76-L80 HydrophobicContact CB-CG 4.23Å; L76-L80 HydrophobicContact CD2-CD1 4.17Å; L76-L80 HydrophobicContact CD2-CG 4.33Å; L76-L80 HydrophobicContact CG-CD1 4.37Å; L76-L80 VanDerWaalsContact O-CB 3.28Å; L76-L80 WeakPolarHBondContact O-CB 3.42Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.14Å; L76-L80 PolarHBondContact O-N 3.07Å; L76-L107 HydrophobicContact CD2-CD2 4.47Å; L76-R111 HydrophobicContact CD1-CG 4.44Å; L76-I116 HydrophobicContact CD1-CD1 3.8Å; L76-I116 HydrophobicContact CD2-CD1 3.65Å; L76-I116 HydrophobicContact CG-CD1 4.37Å |
| 77 | P | 86.8 | Confident | 88 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 47% | 0.468 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -21 | -179.1 | -23.6 | 35.1 | 0 | 0 | 0 | 114.8 | D73 P81 | D73-P77 VanDerWaalsContact O-CD 3.27Å; D73-P77 WeakPolarHBondContact O-CD 3.42Å; P77-P81 WeakPolarHBondContact O-CD 3.37Å; P77-P81 WeakPolarHBondContact O-CG 3.33Å |
| 78 | A | 84 | Confident | 88.7 | Confident | 35 Ų | 35 | 43.8 Ų | 43.8 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -88.3 | -26 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F31 L75 L76 | F31-A78 HydrophobicContact CE2-CB 3.38Å; F31-A78 HydrophobicContact CZ-CB 3.6Å; L75-A78 PolarHBondContact O-N 3.35Å; L75-A78 VanDerWaalsContact O-N 3.16Å; L76-A78 PolarHBondContact O-N 3.05Å; L76-A78 VanDerWaalsContact O-N 3.16Å |
| 79 | I | 90.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -104.9 | -41.4 | -172.5 | -64.1 | 160 | 0 | 0 | 0 | 111.2 | L34 V38 L76 T82 L83 | L34-I79 HydrophobicContact CB-CD1 3.54Å; L34-I79 HydrophobicContact CB-CG1 4.49Å; L34-I79 HydrophobicContact CD1-CD1 4.02Å; L34-I79 HydrophobicContact CG-CD1 4.42Å; V38-I79 HydrophobicContact CB-CG2 4.18Å; V38-I79 HydrophobicContact CG1-CG2 4.26Å; V38-I79 HydrophobicContact CG2-CG2 3.45Å; V38-I79 VanDerWaalsContact CG2-CG2 3.45Å; L76-I79 PolarHBondContact O-N 3.2Å; I79-T82 PolarHBondContact O-N 3.22Å; I79-L83 HydrophobicContact CG2-CD1 3.92Å; I79-L83 HydrophobicContact CG2-CG 4.39Å; I79-L83 PolarHBondContact O-N 3Å |
| 80 | L | 91.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | -175.2 | -68.9 | -178.6 | 0 | 0 | 0 | 113.3 | L76 T82 L83 I84 L104 L107 I116 H119 | L76-L80 HydrophobicContact CB-CD1 3.8Å; L76-L80 HydrophobicContact CB-CG 4.23Å; L76-L80 HydrophobicContact CD2-CD1 4.17Å; L76-L80 HydrophobicContact CD2-CG 4.33Å; L76-L80 HydrophobicContact CG-CD1 4.37Å; L76-L80 VanDerWaalsContact O-CB 3.28Å; L76-L80 WeakPolarHBondContact O-CB 3.42Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.14Å; L76-L80 PolarHBondContact O-N 3.07Å; L80-T82 VanDerWaalsContact C-N 3.25Å; L80-T82 PolarHBondContact O-N 3.35Å; L80-L83 PolarHBondContact O-N 3.21Å; L80-I84 HydrophobicContact CB-CD1 4.1Å; L80-I84 VanDerWaalsContact O-CB 3.24Å; L80-I84 WeakPolarHBondContact O-CB 3.42Å; L80-I84 WeakPolarHBondContact O-CD1 3.25Å; L80-I84 WeakPolarHBondContact O-CG1 3.48Å; L80-I84 PolarHBondContact O-N 2.92Å; L80-L104 HydrophobicContact CD2-CD2 3.45Å; L80-L104 VanDerWaalsContact CD2-CD2 3.45Å; L80-L107 HydrophobicContact CD2-CD1 3.74Å; L80-I116 HydrophobicContact CD1-CD1 4.29Å; L80-I116 HydrophobicContact CD1-CG2 4.45Å; L80-I116 HydrophobicContact CD2-CG2 4.39Å; L80-H119 HydrophobicContact CD1-CB 3.49Å; L80-H119 VanDerWaalsContact CD1-CB 3.49Å |
| 81 | P | 91.6 | Very high | 89 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.7 | -37.5 | -179.3 | -27 | 36.7 | 0 | 0 | 0 | 113.4 | P77 G85 | P77-P81 WeakPolarHBondContact O-CD 3.37Å; P77-P81 WeakPolarHBondContact O-CG 3.33Å; P81-G85 PolarHBondContact O-N 3.44Å |
| 82 | T | 92.8 | Very high | 89.1 | Confident | 43 Ų | 43 | 40.8 Ų | 40.8 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.3 | -47.6 | 178.8 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | V38 I79 L80 G85 Y86 | V38-T82 HydrophobicContact CG1-CG2 3.71Å; I79-T82 PolarHBondContact O-N 3.22Å; L80-T82 VanDerWaalsContact C-N 3.25Å; L80-T82 PolarHBondContact O-N 3.35Å; T82-G85 PolarHBondContact O-N 2.88Å; T82-Y86 HydrophobicContact CG2-CD2 4.42Å; T82-Y86 HydrophobicContact CG2-CE1 4.35Å; T82-Y86 HydrophobicContact CG2-CE2 3.65Å; T82-Y86 WeakPolarHBondContact O-CD2 3.49Å; T82-Y86 PolarHBondContact O-N 3.36Å |
| 83 | L | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.1 | -67.4 | 175 | 0 | 0 | 0 | 112 | V38 L41 I79 L80 G85 Y86 V87 L103 L104 L107 | V38-L83 HydrophobicContact CB-CD2 4.43Å; V38-L83 HydrophobicContact CG1-CD2 3.75Å; V38-L83 HydrophobicContact CG1-CG 3.78Å; V38-L83 HydrophobicContact CG2-CD1 4.23Å; V38-L83 HydrophobicContact CG2-CD2 3.99Å; V38-L83 HydrophobicContact CG2-CG 4.14Å; L41-L83 HydrophobicContact CD2-CD2 4.43Å; I79-L83 HydrophobicContact CG2-CD1 3.92Å; I79-L83 HydrophobicContact CG2-CG 4.39Å; I79-L83 PolarHBondContact O-N 3Å; L80-L83 PolarHBondContact O-N 3.21Å; L83-G85 VanDerWaalsContact C-N 3.31Å; L83-G85 PolarHBondContact O-N 3.1Å; L83-Y86 PolarHBondContact O-N 2.95Å; L83-V87 WeakPolarHBondContact O-CG2 3.28Å; L83-V87 PolarHBondContact O-N 3.3Å; L83-V87 VanDerWaalsContact O-N 3.09Å; L83-L103 HydrophobicContact CD1-CB 4.13Å; L83-L103 HydrophobicContact CD2-CB 4.22Å; L83-L103 HydrophobicContact CD2-CD1 3.87Å; L83-L104 HydrophobicContact CB-CD1 4.38Å; L83-L104 HydrophobicContact CB-CD2 3.97Å; L83-L104 HydrophobicContact CB-CG 4.06Å; L83-L104 HydrophobicContact CD1-CD2 3.87Å; L83-L104 HydrophobicContact CD1-CG 4.07Å; L83-L107 HydrophobicContact CD1-CD1 4.25Å |
| 84 | I | 92.2 | Very high | 89.1 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.7 | -73.3 | 168.2 | 0 | 0 | 0 | 109.9 | L80 V87 L88 L120 P121 W156 | L80-I84 HydrophobicContact CB-CD1 4.1Å; L80-I84 VanDerWaalsContact O-CB 3.24Å; L80-I84 WeakPolarHBondContact O-CB 3.42Å; L80-I84 WeakPolarHBondContact O-CD1 3.25Å; L80-I84 WeakPolarHBondContact O-CG1 3.48Å; L80-I84 PolarHBondContact O-N 2.92Å; I84-V87 PolarHBondContact O-N 3.2Å; I84-L88 HydrophobicContact CG2-CD1 4.09Å; I84-L88 PolarHBondContact O-N 3.33Å; I84-L120 HydrophobicContact CD1-CD2 3.9Å; I84-L120 HydrophobicContact CG1-CD2 4.04Å; I84-P121 HydrophobicContact CG2-CG 4.14Å; I84-W156 HydrophobicContact CB-CH2 4.25Å; I84-W156 HydrophobicContact CG1-CH2 4.22Å; I84-W156 HydrophobicContact CG2-CH2 3.64Å; I84-W156 HydrophobicContact CG2-CZ2 3.98Å |
| 85 | G | 90.8 | Very high | 89.2 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P81 T82 L83 V87 L88 D89 | P81-G85 PolarHBondContact O-N 3.44Å; T82-G85 PolarHBondContact O-N 2.88Å; L83-G85 VanDerWaalsContact C-N 3.31Å; L83-G85 PolarHBondContact O-N 3.1Å; G85-V87 VanDerWaalsContact C-N 3.28Å; G85-V87 PolarHBondContact O-N 3.02Å; G85-L88 PolarHBondContact O-N 3.17Å; G85-D89 VanDerWaalsContact O-CB 3.24Å; G85-D89 WeakPolarHBondContact O-CB 3.39Å; G85-D89 PolarHBondContact O-N 3.26Å |
| 86 | Y | 93.6 | Very high | 89.5 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -34.8 | 177.2 | -63 | -31.5 | 0 | 0 | 0 | 113.5 | V38 L41 P42 T82 L83 S92 L96 S100 | V38-Y86 WeakPolarHBondContact O-CE2 3.49Å; L41-Y86 HydrophobicContact CB-CE2 4.35Å; L41-Y86 HydrophobicContact CD2-CD2 4.32Å; P42-Y86 WeakPolarHBondContact CD-OH 3.45Å; P42-Y86 HydrophobicContact CG-CD1 4.38Å; P42-Y86 HydrophobicContact CG-CE1 3.62Å; P42-Y86 HydrophobicContact CG-CE2 4.1Å; P42-Y86 VanDerWaalsContact CG-CZ 3.46Å; P42-Y86 WeakPolarHBondContact CG-OH 3.48Å; T82-Y86 HydrophobicContact CG2-CD2 4.42Å; T82-Y86 HydrophobicContact CG2-CE1 4.35Å; T82-Y86 HydrophobicContact CG2-CE2 3.65Å; T82-Y86 WeakPolarHBondContact O-CD2 3.49Å; T82-Y86 PolarHBondContact O-N 3.36Å; L83-Y86 PolarHBondContact O-N 2.95Å; Y86-S92 WeakPolarHBondContact O-CB 3.07Å; Y86-S92 PolarHBondContact O-OG 3Å; Y86-L96 HydrophobicContact CD1-CD2 4.16Å; Y86-L96 HydrophobicContact CD2-CD1 4.21Å; Y86-L96 HydrophobicContact CG-CD1 4.29Å; Y86-L96 HydrophobicContact CG-CD2 4.29Å; Y86-L96 HydrophobicContact CG-CG 4.32Å; Y86-S100 WeakPolarHBondContact CB-OG 3.28Å |
| 87 | V | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.8 | -43.9 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | L83 I84 G85 R97 L104 L153 W156 | L83-V87 WeakPolarHBondContact O-CG2 3.28Å; L83-V87 PolarHBondContact O-N 3.3Å; L83-V87 VanDerWaalsContact O-N 3.09Å; I84-V87 PolarHBondContact O-N 3.2Å; G85-V87 VanDerWaalsContact C-N 3.28Å; G85-V87 PolarHBondContact O-N 3.02Å; V87-R97 HydrophobicContact CG1-CG 4.36Å; V87-R97 PolarHBondContact O-NE 3.37Å; V87-L104 HydrophobicContact CG2-CD1 4.2Å; V87-L153 HydrophobicContact CG1-CD2 4.06Å; V87-W156 HydrophobicContact CB-CZ3 4.45Å; V87-W156 HydrophobicContact CG1-CZ3 4.02Å |
| 88 | L | 88.7 | Confident | 89.7 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -84.8 | -21 | -175 | -67.6 | 178.6 | 0 | 0 | 0 | 114.4 | I84 G85 P90 P121 L126 V130 W156 | I84-L88 HydrophobicContact CG2-CD1 4.09Å; I84-L88 PolarHBondContact O-N 3.33Å; G85-L88 PolarHBondContact O-N 3.17Å; L88-P90 VanDerWaalsContact O-CD 3.24Å; L88-P90 WeakPolarHBondContact O-CD 3.35Å; L88-P121 HydrophobicContact CD1-CG 4.45Å; L88-L126 HydrophobicContact CD1-CD1 4.19Å; L88-L126 HydrophobicContact CD1-CD2 3.73Å; L88-L126 HydrophobicContact CD2-CD2 4.12Å; L88-V130 HydrophobicContact CD2-CG2 4.35Å; L88-W156 HydrophobicContact CD1-CH2 3.56Å; L88-W156 HydrophobicContact CD1-CZ2 3.64Å; L88-W156 HydrophobicContact CD2-CH2 3.81Å; L88-W156 HydrophobicContact CD2-CZ2 4.18Å; L88-W156 HydrophobicContact CD2-CZ3 4.28Å; L88-W156 HydrophobicContact CG-CH2 3.54Å; L88-W156 HydrophobicContact CG-CZ2 4.08Å; L88-W156 HydrophobicContact CG-CZ3 4.3Å |
| 89 | D | 89.4 | Confident | 90.1 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 35% | 0.348 | 26% | 0.257 | S | S | . | . | trans | -63.4 | 118.2 | 178.9 | -175 | -10.4 | 0 | 0 | 0 | 110.4 | G85 T91 S92 R97 | G85-D89 VanDerWaalsContact O-CB 3.24Å; G85-D89 WeakPolarHBondContact O-CB 3.39Å; G85-D89 PolarHBondContact O-N 3.26Å; D89-T91 PolarHBondContact O-N 3.4Å; D89-T91 WeakPolarHBondContact OD1-CB 3.42Å; D89-T91 PolarHBondContact OD1-N 2.99Å; D89-T91 PolarHBondContact OD1-OG1 3.46Å; D89-T91 PolarHBondContact OD2-OG1 2.93Å; D89-S92 WeakPolarHBondContact O-CB 3.34Å; D89-S92 PolarHBondContact O-N 2.9Å; D89-S92 VanDerWaalsContact O-N 3.15Å; D89-R97 PolarHBondContact O-NH2 2.95Å | ||
| 90 | P | 84.1 | Confident | 90.2 | Very high | 123 Ų | 123 | 44.3 Ų | 44.3 | 80% | 0.799 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22 | 177.3 | -21.8 | 33.9 | 0 | 0 | 0 | 113.4 | L88 | L88-P90 VanDerWaalsContact O-CD 3.24Å; L88-P90 WeakPolarHBondContact O-CD 3.35Å |
| 91 | T | 86.4 | Confident | 90.3 | Very high | 121 Ų | 121 | 44.2 Ų | 44.2 | 74% | 0.742 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.8 | 179.4 | 71.6 | 0 | 0 | 0 | 0 | 113.5 | D89 | D89-T91 PolarHBondContact O-N 3.4Å; D89-T91 WeakPolarHBondContact OD1-CB 3.42Å; D89-T91 PolarHBondContact OD1-N 2.99Å; D89-T91 PolarHBondContact OD1-OG1 3.46Å; D89-T91 PolarHBondContact OD2-OG1 2.93Å |
| 92 | S | 89.3 | Confident | 90.4 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -64.5 | 135.2 | 176.1 | -73 | 0 | 0 | 0 | 0 | 111.9 | Y86 D89 R97 | Y86-S92 WeakPolarHBondContact O-CB 3.07Å; Y86-S92 PolarHBondContact O-OG 3Å; D89-S92 WeakPolarHBondContact O-CB 3.34Å; D89-S92 PolarHBondContact O-N 2.9Å; D89-S92 VanDerWaalsContact O-N 3.15Å; S92-R97 PolarHBondContact O-NH2 3.46Å |
| 93 | S | 88.3 | Confident | 90.5 | Very high | 54 Ų | 54 | 39.3 Ų | 39.3 | 38% | 0.378 | 22% | 0.224 | S | C | . | . | trans | -63.8 | 154.1 | 170.5 | 68.8 | 0 | 0 | 0 | 0 | 111.4 | F95 L96 R97 | S93-F95 PolarHBondContact O-N 3.22Å; S93-L96 PolarHBondContact O-N 2.86Å; S93-L96 VanDerWaalsContact O-N 3.14Å; S93-L96 WeakPolarHBondContact OG-CB 3.47Å; S93-L96 PolarHBondContact OG-N 3.17Å; S93-R97 PolarHBondContact O-N 3.32Å | ||
| 94 | D | 85.3 | Confident | 90.5 | Very high | 97 Ų | 97 | 39.4 Ų | 39.4 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -35.2 | 178.6 | -65.3 | -29.4 | 0 | 0 | 0 | 112.2 | R97 L98 R136 | D94-R97 PolarHBondContact O-N 2.64Å; D94-R97 IonicContact OD1-NH1 3.18Å; D94-R97 PolarHBondContact OD1-NH1 3.35Å; D94-L98 WeakPolarHBondContact O-CB 3.29Å; D94-L98 PolarHBondContact O-N 3Å; D94-R136 IonicContact OD1-NH1 3.66Å; D94-R136 PolarHBondContact OD1-NH1 3.09Å |
| 95 | F | 87.5 | Confident | 90.5 | Very high | 150 Ų | 150 | 40.5 Ų | 40.5 | 66% | 0.658 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -62.1 | -48.4 | 172.9 | -67.6 | -71.1 | 0 | 0 | 0 | 112.2 | V45 S93 R97 L98 D99 | V45-F95 HydrophobicContact CG1-CB 3.66Å; S93-F95 PolarHBondContact O-N 3.22Å; F95-R97 VanDerWaalsContact C-N 3.29Å; F95-R97 PolarHBondContact O-N 3.34Å; F95-L98 PolarHBondContact O-N 3.45Å; F95-D99 WeakPolarHBondContact O-CB 3.12Å; F95-D99 PolarHBondContact O-N 3.12Å |
| 96 | L | 90.8 | Very high | 90.6 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | -179.9 | 178.2 | 60 | 0 | 0 | 0 | 111.7 | L41 P42 V45 Y86 S93 S100 | L41-L96 HydrophobicContact CB-CD1 4.28Å; L41-L96 HydrophobicContact CD2-CD1 3.79Å; L41-L96 HydrophobicContact CG-CD1 3.69Å; P42-L96 HydrophobicContact CB-CD1 4.48Å; P42-L96 HydrophobicContact CB-CD2 4.22Å; P42-L96 HydrophobicContact CG-CD1 4.13Å; P42-L96 HydrophobicContact CG-CD2 4.11Å; V45-L96 HydrophobicContact CG1-CB 4.39Å; V45-L96 HydrophobicContact CG2-CB 4.45Å; V45-L96 HydrophobicContact CG2-CD1 4.25Å; Y86-L96 HydrophobicContact CD1-CD2 4.16Å; Y86-L96 HydrophobicContact CD2-CD1 4.21Å; Y86-L96 HydrophobicContact CG-CD1 4.29Å; Y86-L96 HydrophobicContact CG-CD2 4.29Å; Y86-L96 HydrophobicContact CG-CG 4.32Å; S93-L96 PolarHBondContact O-N 2.86Å; S93-L96 VanDerWaalsContact O-N 3.14Å; S93-L96 WeakPolarHBondContact OG-CB 3.47Å; S93-L96 PolarHBondContact OG-N 3.17Å; L96-S100 VanDerWaalsContact O-CB 3.31Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 3.43Å; L96-S100 PolarHBondContact O-OG 3.28Å |
| 97 | R | 91.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -52.3 | 176.9 | -176 | 174.1 | -54.6 | 98 | 6.8 | 111.7 | V87 D89 S92 S93 D94 F95 D99 S100 C101 E149 | V87-R97 HydrophobicContact CG1-CG 4.36Å; V87-R97 PolarHBondContact O-NE 3.37Å; D89-R97 PolarHBondContact O-NH2 2.95Å; S92-R97 PolarHBondContact O-NH2 3.46Å; S93-R97 PolarHBondContact O-N 3.32Å; D94-R97 PolarHBondContact O-N 2.64Å; D94-R97 IonicContact OD1-NH1 3.18Å; D94-R97 PolarHBondContact OD1-NH1 3.35Å; F95-R97 VanDerWaalsContact C-N 3.29Å; F95-R97 PolarHBondContact O-N 3.34Å; R97-D99 VanDerWaalsContact C-N 3.34Å; R97-D99 PolarHBondContact O-N 2.91Å; R97-S100 WeakPolarHBondContact O-CB 3.1Å; R97-S100 PolarHBondContact O-N 3.31Å; R97-C101 PolarHBondContact O-N 2.96Å; R97-E149 VanDerWaalsContact CD-OE1 3.29Å; R97-E149 WeakPolarHBondContact CD-OE1 3.44Å |
| 98 | L | 90 | Very high | 90.5 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 178.4 | 172.9 | 57.6 | 0 | 0 | 0 | 111.1 | D94 F95 S100 C101 K102 E149 | D94-L98 WeakPolarHBondContact O-CB 3.29Å; D94-L98 PolarHBondContact O-N 3Å; F95-L98 PolarHBondContact O-N 3.45Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3.18Å; L98-C101 CarbonylContact O-C 3.6Å; L98-C101 WeakPolarHBondContact O-CB 3.28Å; L98-C101 PolarHBondContact O-N 3.19Å; L98-C101 VanDerWaalsContact O-N 3.12Å; L98-K102 HydrophobicContact CD1-CG 4.29Å; L98-K102 HydrophobicContact CG-CD 4.42Å; L98-K102 WeakPolarHBondContact O-CG 3.27Å; L98-K102 PolarHBondContact O-N 3.05Å; L98-E149 HydrophobicContact CD1-CB 3.86Å |
| 99 | D | 91.6 | Very high | 90.6 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | -180 | -74.5 | -9.8 | 0 | 0 | 0 | 111.7 | L41 F51 F95 R97 C101 K102 L103 | L41-D99 HydrophobicContact CD1-CB 4.37Å; L41-D99 HydrophobicContact CD2-CB 4.47Å; F51-D99 HydrophobicContact CD1-CB 4.38Å; F51-D99 WeakPolarHBondContact CD1-OD1 3.48Å; F51-D99 HydrophobicContact CD2-CB 3.73Å; F51-D99 VanDerWaalsContact CD2-CG 3.41Å; F51-D99 WeakPolarHBondContact CD2-OD2 3.39Å; F51-D99 HydrophobicContact CE1-CB 4.08Å; F51-D99 VanDerWaalsContact CE1-OD1 3.3Å; F51-D99 WeakPolarHBondContact CE1-OD1 3.43Å; F51-D99 HydrophobicContact CE2-CB 3.4Å; F51-D99 HydrophobicContact CG-CB 4.21Å; F51-D99 VanDerWaalsContact CG-CG 3.4Å; F51-D99 WeakPolarHBondContact CG-OD1 3.04Å; F51-D99 VanDerWaalsContact CG-OD2 3.32Å; F51-D99 WeakPolarHBondContact CG-OD2 3.42Å; F51-D99 HydrophobicContact CZ-CB 3.57Å; F95-D99 WeakPolarHBondContact O-CB 3.12Å; F95-D99 PolarHBondContact O-N 3.12Å; R97-D99 VanDerWaalsContact C-N 3.34Å; R97-D99 PolarHBondContact O-N 2.91Å; D99-C101 VanDerWaalsContact C-N 3.35Å; D99-C101 PolarHBondContact O-N 3.48Å; D99-K102 WeakPolarHBondContact O-CB 3.31Å; D99-K102 PolarHBondContact O-N 2.9Å; D99-K102 VanDerWaalsContact O-N 3.17Å; D99-K102 IonicContact OD1-NZ 2.87Å; D99-L103 WeakPolarHBondContact O-CG 3.25Å; D99-L103 PolarHBondContact O-N 3.22Å |
| 100 | S | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 172.5 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | L41 Y86 L96 R97 L98 K102 L103 L104 | L41-S100 WeakPolarHBondContact CD2-OG 3.46Å; Y86-S100 WeakPolarHBondContact CB-OG 3.28Å; L96-S100 VanDerWaalsContact O-CB 3.31Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 3.43Å; L96-S100 PolarHBondContact O-OG 3.28Å; R97-S100 WeakPolarHBondContact O-CB 3.1Å; R97-S100 PolarHBondContact O-N 3.31Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3.18Å; S100-K102 PolarHBondContact O-N 3.26Å; S100-L103 PolarHBondContact O-N 3.26Å; S100-L104 WeakPolarHBondContact O-CG 3.26Å; S100-L104 PolarHBondContact O-N 3.3Å |
| 101 | C | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -35.6 | 174 | -73.6 | 0 | 0 | 0 | 0 | 113.1 | R97 L98 D99 L103 L104 Y105 E149 V152 | R97-C101 PolarHBondContact O-N 2.96Å; L98-C101 CarbonylContact O-C 3.6Å; L98-C101 WeakPolarHBondContact O-CB 3.28Å; L98-C101 PolarHBondContact O-N 3.19Å; L98-C101 VanDerWaalsContact O-N 3.12Å; D99-C101 VanDerWaalsContact C-N 3.35Å; D99-C101 PolarHBondContact O-N 3.48Å; C101-L103 VanDerWaalsContact C-N 3.34Å; C101-L104 PolarHBondContact O-N 2.85Å; C101-Y105 WeakPolarHBondContact O-CB 3.45Å; C101-Y105 PolarHBondContact O-N 3.35Å; C101-E149 HydrophobicContact CB-CB 4.04Å; C101-E149 HydrophobicContact CB-CG 4.48Å; C101-V152 HydrophobicContact CB-CB 4.48Å; C101-V152 HydrophobicContact CB-CG2 4.42Å |
| 102 | K | 92.9 | Very high | 91 | Very high | 14 Ų | 14 | 31.2 Ų | 31.2 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 174.4 | -68.2 | 177.6 | 179.2 | 177.9 | 0 | 111.2 | F51 L55 L98 D99 S100 A106 D145 K148 | F51-K102 HydrophobicContact CD1-CD 4.26Å; F51-K102 HydrophobicContact CE1-CB 4.07Å; F51-K102 HydrophobicContact CE1-CD 3.46Å; F51-K102 VanDerWaalsContact CE1-CD 3.46Å; F51-K102 HydrophobicContact CE1-CG 4.38Å; F51-K102 HydrophobicContact CZ-CB 4.06Å; F51-K102 HydrophobicContact CZ-CD 4.23Å; L55-K102 HydrophobicContact CD1-CB 4.3Å; L55-K102 HydrophobicContact CD2-CB 4.5Å; L55-K102 HydrophobicContact CD2-CD 4.47Å; L98-K102 HydrophobicContact CD1-CG 4.29Å; L98-K102 HydrophobicContact CG-CD 4.42Å; L98-K102 WeakPolarHBondContact O-CG 3.27Å; L98-K102 PolarHBondContact O-N 3.05Å; D99-K102 WeakPolarHBondContact O-CB 3.31Å; D99-K102 PolarHBondContact O-N 2.9Å; D99-K102 VanDerWaalsContact O-N 3.17Å; D99-K102 IonicContact OD1-NZ 2.87Å; S100-K102 PolarHBondContact O-N 3.26Å; K102-A106 PolarHBondContact O-N 3.1Å; K102-A106 VanDerWaalsContact O-N 3.14Å; K102-D145 VanDerWaalsContact CE-O 3.28Å; K102-D145 WeakPolarHBondContact CE-O 3.04Å; K102-D145 WeakPolarHBondContact CE-OD2 3.41Å; K102-D145 IonicContact NZ-OD2 3.99Å; K102-D145 PolarHBondContact NZ-OD2 3.3Å; K102-K148 HydrophobicContact CB-CD 4.38Å; K102-K148 HydrophobicContact CG-CB 4.36Å; K102-K148 HydrophobicContact CG-CD 4.04Å |
| 103 | L | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -42.9 | 174.4 | -60.3 | -179.4 | 0 | 0 | 0 | 112.3 | V38 L41 F51 L55 F58 L83 D99 S100 C101 Y105 A106 L107 | V38-L103 HydrophobicContact CG2-CD1 4.38Å; L41-L103 HydrophobicContact CD1-CD1 4.44Å; L41-L103 HydrophobicContact CD2-CD1 3.97Å; F51-L103 HydrophobicContact CE2-CD2 4.45Å; F51-L103 HydrophobicContact CE2-CG 4.47Å; F51-L103 HydrophobicContact CZ-CD2 4.27Å; F51-L103 HydrophobicContact CZ-CG 4.34Å; L55-L103 HydrophobicContact CD1-CD2 3.82Å; F58-L103 HydrophobicContact CB-CD2 3.83Å; F58-L103 HydrophobicContact CD1-CB 4.46Å; F58-L103 HydrophobicContact CD1-CD2 3.63Å; F58-L103 HydrophobicContact CD2-CD2 3.95Å; F58-L103 HydrophobicContact CE1-CB 4.07Å; F58-L103 HydrophobicContact CE1-CD2 4.1Å; F58-L103 HydrophobicContact CE2-CD2 4.38Å; F58-L103 HydrophobicContact CG-CD2 3.54Å; F58-L103 HydrophobicContact CZ-CB 4.12Å; F58-L103 HydrophobicContact CZ-CD2 4.45Å; L83-L103 HydrophobicContact CD1-CB 4.13Å; L83-L103 HydrophobicContact CD2-CB 4.22Å; L83-L103 HydrophobicContact CD2-CD1 3.87Å; D99-L103 WeakPolarHBondContact O-CG 3.25Å; D99-L103 PolarHBondContact O-N 3.22Å; S100-L103 PolarHBondContact O-N 3.26Å; C101-L103 VanDerWaalsContact C-N 3.34Å; L103-Y105 VanDerWaalsContact C-N 3.31Å; L103-Y105 PolarHBondContact O-N 3Å; L103-A106 WeakPolarHBondContact O-CB 3.48Å; L103-A106 PolarHBondContact O-N 3.39Å; L103-L107 PolarHBondContact O-N 3.38Å; L103-L107 VanDerWaalsContact O-N 3.13Å |
| 104 | L | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 174.3 | -74.2 | 171.2 | 0 | 0 | 0 | 111.7 | L80 L83 V87 S100 C101 L107 Q108 V152 | L80-L104 HydrophobicContact CD2-CD2 3.45Å; L80-L104 VanDerWaalsContact CD2-CD2 3.45Å; L83-L104 HydrophobicContact CB-CD1 4.38Å; L83-L104 HydrophobicContact CB-CD2 3.97Å; L83-L104 HydrophobicContact CB-CG 4.06Å; L83-L104 HydrophobicContact CD1-CD2 3.87Å; L83-L104 HydrophobicContact CD1-CG 4.07Å; V87-L104 HydrophobicContact CG2-CD1 4.2Å; S100-L104 WeakPolarHBondContact O-CG 3.26Å; S100-L104 PolarHBondContact O-N 3.3Å; C101-L104 PolarHBondContact O-N 2.85Å; L104-L107 PolarHBondContact O-N 3.4Å; L104-Q108 VanDerWaalsContact O-CG 3.28Å; L104-Q108 WeakPolarHBondContact O-CG 3.43Å; L104-Q108 PolarHBondContact O-N 2.91Å; L104-V152 HydrophobicContact CB-CG1 4.31Å; L104-V152 HydrophobicContact CB-CG2 4.17Å; L104-V152 HydrophobicContact CD1-CG1 3.91Å |
| 105 | Y | 93.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 175.1 | 175.4 | -91.7 | 0 | 0 | 0 | 111.9 | C101 L103 L107 Q108 E109 W147 K148 Y151 M194 | C101-Y105 WeakPolarHBondContact O-CB 3.45Å; C101-Y105 PolarHBondContact O-N 3.35Å; L103-Y105 VanDerWaalsContact C-N 3.31Å; L103-Y105 PolarHBondContact O-N 3Å; Y105-L107 VanDerWaalsContact C-N 3.31Å; Y105-L107 PolarHBondContact O-N 3.11Å; Y105-Q108 WeakPolarHBondContact O-CB 3.41Å; Y105-Q108 PolarHBondContact O-N 3.11Å; Y105-Q108 VanDerWaalsContact O-N 3.09Å; Y105-E109 HydrophobicContact CE1-CB 4.49Å; Y105-E109 PolarHBondContact O-N 3.22Å; Y105-W147 HydrophobicContact CD2-CH2 4.3Å; Y105-W147 HydrophobicContact CD2-CZ3 4.37Å; Y105-W147 HydrophobicContact CE1-CH2 4.28Å; Y105-W147 AromaticContact CE2-CH2 3.6Å; Y105-W147 HydrophobicContact CE2-CH2 3.6Å; Y105-W147 AromaticContact CE2-CZ3 3.89Å; Y105-W147 HydrophobicContact CE2-CZ3 3.89Å; Y105-W147 AromaticContact CZ-CH2 3.6Å; Y105-K148 HydrophobicContact CD1-CD 3.77Å; Y105-K148 HydrophobicContact CE1-CD 4.41Å; Y105-K148 HydrophobicContact CG-CB 4.47Å; Y105-K148 HydrophobicContact CG-CD 4.01Å; Y105-K148 HydrophobicContact CG-CG 4.37Å; Y105-Y151 AromaticContact CD2-CD1 3.65Å; Y105-Y151 HydrophobicContact CD2-CD1 3.65Å; Y105-Y151 AromaticContact CD2-CE1 3.67Å; Y105-Y151 HydrophobicContact CD2-CE1 3.67Å; Y105-Y151 HydrophobicContact CE2-CD1 4.09Å; Y105-Y151 AromaticContact CE2-CE1 3.87Å; Y105-Y151 HydrophobicContact CE2-CE1 3.87Å; Y105-M194 HydrophobicContact CE2-SD 4.36Å |
| 106 | A | 92.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F58 I59 K102 L103 E109 V110 | F58-A106 HydrophobicContact CD1-CB 4.11Å; F58-A106 HydrophobicContact CE1-CB 4.09Å; I59-A106 HydrophobicContact CG1-CB 3.85Å; K102-A106 PolarHBondContact O-N 3.1Å; K102-A106 VanDerWaalsContact O-N 3.14Å; L103-A106 WeakPolarHBondContact O-CB 3.48Å; L103-A106 PolarHBondContact O-N 3.39Å; A106-E109 PolarHBondContact O-N 3.39Å; A106-V110 PolarHBondContact O-N 3.03Å |
| 107 | L | 93.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 172.8 | -67.2 | 170 | 0 | 0 | 0 | 111.8 | F58 V62 L72 L76 L80 L83 L103 L104 Y105 E109 V110 R111 I116 | F58-L107 HydrophobicContact CE1-CD2 4.17Å; F58-L107 HydrophobicContact CE1-CG 3.97Å; F58-L107 HydrophobicContact CZ-CD1 4.13Å; F58-L107 HydrophobicContact CZ-CD2 3.96Å; F58-L107 HydrophobicContact CZ-CG 3.88Å; V62-L107 HydrophobicContact CG1-CD2 4.12Å; V62-L107 HydrophobicContact CG2-CD2 3.79Å; L72-L107 HydrophobicContact CD1-CD2 4.33Å; L72-L107 HydrophobicContact CD2-CD2 3.89Å; L76-L107 HydrophobicContact CD2-CD2 4.47Å; L80-L107 HydrophobicContact CD2-CD1 3.74Å; L83-L107 HydrophobicContact CD1-CD1 4.25Å; L103-L107 PolarHBondContact O-N 3.38Å; L103-L107 VanDerWaalsContact O-N 3.13Å; L104-L107 PolarHBondContact O-N 3.4Å; Y105-L107 VanDerWaalsContact C-N 3.31Å; Y105-L107 PolarHBondContact O-N 3.11Å; L107-E109 PolarHBondContact O-N 3.04Å; L107-V110 PolarHBondContact O-N 3.4Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 PolarHBondContact O-N 3.31Å; L107-I116 HydrophobicContact CB-CD1 4.2Å |
| 108 | Q | 91.2 | Very high | 90 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -38 | 178.2 | -71.1 | 173.8 | 8.5 | 0 | 0 | 112.7 | L104 Y105 V110 G112 I116 Y151 | L104-Q108 VanDerWaalsContact O-CG 3.28Å; L104-Q108 WeakPolarHBondContact O-CG 3.43Å; L104-Q108 PolarHBondContact O-N 2.91Å; Y105-Q108 WeakPolarHBondContact O-CB 3.41Å; Y105-Q108 PolarHBondContact O-N 3.11Å; Y105-Q108 VanDerWaalsContact O-N 3.09Å; Q108-V110 VanDerWaalsContact C-N 3.31Å; Q108-V110 PolarHBondContact O-N 3.36Å; Q108-G112 CarbonylContact O-C 3.5Å; Q108-G112 WeakPolarHBondContact O-CA 3.38Å; Q108-G112 PolarHBondContact O-N 3.3Å; Q108-I116 HydrophobicContact CB-CG1 4.4Å; Q108-I116 HydrophobicContact CG-CB 3.84Å; Q108-I116 HydrophobicContact CG-CG1 3.62Å; Q108-I116 HydrophobicContact CG-CG2 3.92Å; Q108-Y151 VanDerWaalsContact OE1-CE1 3.26Å |
| 109 | E | 89.9 | Confident | 89.8 | Confident | 119 Ų | 119 | 36 Ų | 36 | 56% | 0.556 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -62.2 | -39.2 | 179.7 | -168.9 | -177.7 | 162.3 | 0 | 0 | 111.6 | Y105 A106 L107 | Y105-E109 HydrophobicContact CE1-CB 4.49Å; Y105-E109 PolarHBondContact O-N 3.22Å; A106-E109 PolarHBondContact O-N 3.39Å; L107-E109 PolarHBondContact O-N 3.04Å |
| 110 | V | 90.7 | Very high | 89.7 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -83.2 | -51.1 | 179.6 | 178 | 0 | 0 | 0 | 0 | 112 | V62 F65 K66 R69 A106 L107 Q108 | V62-V110 HydrophobicContact CG1-CB 3.76Å; V62-V110 HydrophobicContact CG1-CG1 4.25Å; V62-V110 HydrophobicContact CG1-CG2 3.67Å; F65-V110 HydrophobicContact CB-CG1 4.33Å; K66-V110 HydrophobicContact CB-CG1 4.46Å; R69-V110 WeakPolarHBondContact CD-O 3.48Å; R69-V110 WeakPolarHBondContact CG-O 3.47Å; A106-V110 PolarHBondContact O-N 3.03Å; L107-V110 PolarHBondContact O-N 3.4Å; Q108-V110 VanDerWaalsContact C-N 3.31Å; Q108-V110 PolarHBondContact O-N 3.36Å |
| 111 | R | 90.6 | Very high | 89.4 | Confident | 62 Ų | 62 | 37.7 Ų | 37.7 | 23% | 0.234 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -83 | -32.6 | -172.7 | -177.6 | 61.7 | -171.9 | 94.9 | -8.1 | 114.5 | R69 L72 D73 L76 L107 A115 | R69-R111 WeakPolarHBondContact O-CD 3.35Å; L72-R111 HydrophobicContact CD2-CB 3.78Å; L72-R111 HydrophobicContact CD2-CG 4.43Å; D73-R111 VanDerWaalsContact CG-NH2 3.34Å; D73-R111 IonicContact OD1-CZ 2.83Å; D73-R111 VanDerWaalsContact OD1-CZ 3.28Å; D73-R111 IonicContact OD1-NE 3.12Å; D73-R111 PolarHBondContact OD1-NE 3.17Å; D73-R111 IonicContact OD1-NH2 2.67Å; D73-R111 PolarHBondContact OD1-NH2 2.72Å; D73-R111 VanDerWaalsContact OD1-NH2 3.09Å; D73-R111 IonicContact OD2-CZ 2.65Å; D73-R111 IonicContact OD2-NE 2.71Å; D73-R111 IonicContact OD2-NH2 3.96Å; D73-R111 PolarHBondContact OD2-NH2 3.46Å; L76-R111 HydrophobicContact CD1-CG 4.44Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 PolarHBondContact O-N 3.31Å; R111-A115 HydrophobicContact CG-CB 3.7Å |
| 112 | G | 87.7 | Confident | 88.9 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 27% | 0.268 | 21% | 0.214 | S | C | . | . | trans | 104 | 135.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q108 K114 A115 | Q108-G112 CarbonylContact O-C 3.5Å; Q108-G112 WeakPolarHBondContact O-CA 3.38Å; Q108-G112 PolarHBondContact O-N 3.3Å; G112-K114 VanDerWaalsContact C-N 3.28Å; G112-K114 PolarHBondContact O-N 2.71Å; G112-K114 VanDerWaalsContact O-N 3.16Å; G112-A115 PolarHBondContact O-N 2.58Å; G112-A115 VanDerWaalsContact O-N 3.13Å | ||
| 113 | S | 86.8 | Confident | 88.4 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 33% | 0.329 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.7 | -35.3 | -175.1 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | A115 I116 V117 | S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.36Å; S113-I116 PolarHBondContact O-N 3.15Å; S113-V117 WeakPolarHBondContact O-CB 3.46Å; S113-V117 WeakPolarHBondContact O-CG2 3.5Å; S113-V117 PolarHBondContact O-N 2.91Å |
| 114 | K | 83.8 | Confident | 87.5 | Confident | 169 Ų | 169 | 47.7 Ų | 47.7 | 74% | 0.735 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.3 | -37.7 | 179.6 | -168.9 | -175.9 | 178.8 | -167.1 | 0 | 112.9 | G112 N118 | G112-K114 VanDerWaalsContact C-N 3.28Å; G112-K114 PolarHBondContact O-N 2.71Å; G112-K114 VanDerWaalsContact O-N 3.16Å; K114-N118 PolarHBondContact O-N 3.44Å; K114-N118 PolarHBondContact O-OD1 2.88Å |
| 115 | A | 84.3 | Confident | 86.8 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.8 | -44.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R111 G112 S113 N118 H119 | R111-A115 HydrophobicContact CG-CB 3.7Å; G112-A115 PolarHBondContact O-N 2.58Å; G112-A115 VanDerWaalsContact O-N 3.13Å; S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.36Å; A115-N118 WeakPolarHBondContact O-CB 3.44Å; A115-N118 PolarHBondContact O-N 2.88Å; A115-H119 PolarHBondContact O-CD2 3.46Å; A115-H119 VanDerWaalsContact O-CD2 3.29Å |
| 116 | I | 87.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 178.2 | -55.4 | -57.5 | 0 | 0 | 0 | 111.4 | L76 L80 L107 Q108 S113 N118 H119 | L76-I116 HydrophobicContact CD1-CD1 3.8Å; L76-I116 HydrophobicContact CD2-CD1 3.65Å; L76-I116 HydrophobicContact CG-CD1 4.37Å; L80-I116 HydrophobicContact CD1-CD1 4.29Å; L80-I116 HydrophobicContact CD1-CG2 4.45Å; L80-I116 HydrophobicContact CD2-CG2 4.39Å; L107-I116 HydrophobicContact CB-CD1 4.2Å; Q108-I116 HydrophobicContact CB-CG1 4.4Å; Q108-I116 HydrophobicContact CG-CB 3.84Å; Q108-I116 HydrophobicContact CG-CG1 3.62Å; Q108-I116 HydrophobicContact CG-CG2 3.92Å; S113-I116 PolarHBondContact O-N 3.15Å; I116-N118 PolarHBondContact O-N 3.38Å; I116-H119 PolarHBondContact O-N 3.15Å |
| 117 | V | 84.8 | Confident | 86 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.3 | -31.6 | 178.3 | 167.6 | 0 | 0 | 0 | 0 | 112.5 | S113 H119 L120 L155 A159 | S113-V117 WeakPolarHBondContact O-CB 3.46Å; S113-V117 WeakPolarHBondContact O-CG2 3.5Å; S113-V117 PolarHBondContact O-N 2.91Å; V117-H119 PolarHBondContact O-N 2.97Å; V117-L120 HydrophobicContact CG2-CD1 4.23Å; V117-L120 PolarHBondContact O-N 3.4Å; V117-L155 HydrophobicContact CG2-CB 4.41Å; V117-A159 HydrophobicContact CG1-CB 3.83Å |
| 118 | N | 84.4 | Confident | 85.6 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.5 | 176.2 | -68.9 | -14.6 | 0 | 0 | 0 | 113.6 | K114 A115 I116 | K114-N118 PolarHBondContact O-N 3.44Å; K114-N118 PolarHBondContact O-OD1 2.88Å; A115-N118 WeakPolarHBondContact O-CB 3.44Å; A115-N118 PolarHBondContact O-N 2.88Å; I116-N118 PolarHBondContact O-N 3.38Å |
| 119 | H | 86 | Confident | 85.4 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 35% | 0.352 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -7.3 | 178.1 | -66.4 | -82.2 | 0 | 0 | 0 | 113.2 | L80 A115 I116 V117 | L80-H119 HydrophobicContact CD1-CB 3.49Å; L80-H119 VanDerWaalsContact CD1-CB 3.49Å; A115-H119 PolarHBondContact O-CD2 3.46Å; A115-H119 VanDerWaalsContact O-CD2 3.29Å; I116-H119 PolarHBondContact O-N 3.15Å; V117-H119 PolarHBondContact O-N 2.97Å |
| 120 | L | 88 | Confident | 85.4 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -79.1 | 128.1 | 179 | -61.9 | 178.7 | 0 | 0 | 0 | 109.5 | I84 V117 C122 W156 | I84-L120 HydrophobicContact CD1-CD2 3.9Å; I84-L120 HydrophobicContact CG1-CD2 4.04Å; V117-L120 HydrophobicContact CG2-CD1 4.23Å; V117-L120 PolarHBondContact O-N 3.4Å; L120-C122 PolarHBondContact O-N 3.45Å; L120-C122 PolarHBondContact O-SG 3.29Å; L120-C122 VanDerWaalsContact O-SG 3.38Å; L120-W156 HydrophobicContact CB-CD2 4.3Å; L120-W156 HydrophobicContact CB-CG 4.23Å; L120-W156 HydrophobicContact CD1-CB 3.92Å; L120-W156 HydrophobicContact CD1-CD2 4.09Å; L120-W156 HydrophobicContact CD1-CG 3.77Å; L120-W156 HydrophobicContact CD2-CD2 4.1Å; L120-W156 HydrophobicContact CD2-CE3 4.23Å; L120-W156 HydrophobicContact CD2-CZ2 4.4Å; L120-W156 HydrophobicContact CD2-CZ3 4.44Å; L120-W156 HydrophobicContact CG-CD2 4.39Å; L120-W156 HydrophobicContact CG-CG 4.43Å |
| 121 | P | 87.5 | Confident | 85.2 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | trans | -62.8 | 137 | 178.3 | 26.4 | -34.3 | 0 | 0 | 0 | 110.3 | I84 L88 L126 W156 | I84-P121 HydrophobicContact CG2-CG 4.14Å; L88-P121 HydrophobicContact CD1-CG 4.45Å; P121-L126 HydrophobicContact CB-CD1 3.88Å; P121-L126 HydrophobicContact CG-CD1 3.7Å; P121-W156 HydrophobicContact CG-CZ2 3.66Å; P121-W156 PolarHBondContact O-NE1 3.08Å | ||
| 122 | C | 83.3 | Confident | 85.1 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | trans | -112.8 | 39.9 | -174.1 | -68.2 | 0 | 0 | 0 | 0 | 112 | L120 T163 | L120-C122 PolarHBondContact O-N 3.45Å; L120-C122 PolarHBondContact O-SG 3.29Å; L120-C122 VanDerWaalsContact O-SG 3.38Å; C122-T163 HydrophobicContact CB-CG2 4.29Å; C122-T163 WeakPolarHBondContact O-CG2 3.37Å | ||
| 123 | E | 82.7 | Confident | 85.3 | Confident | 130 Ų | 130 | 46.4 Ų | 46.4 | 61% | 0.607 | 26% | 0.264 | S | S | * | . | trans | -80 | 138.7 | 179.2 | -63.8 | 174.6 | -167.2 | 0 | 0 | 111 | G125 L126 L160 | E123-G125 PolarHBondContact O-N 3.18Å; E123-L126 HydrophobicContact CB-CD1 4.19Å; E123-L126 HydrophobicContact CB-CG 4.17Å; E123-L126 WeakPolarHBondContact O-CB 3.21Å; E123-L126 PolarHBondContact O-N 3.04Å; E123-L160 WeakPolarHBondContact O-CD2 3.35Å | ||
| 124 | V | 75.2 | Confident | 85.5 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -59.6 | -34.4 | -179.1 | -177 | 0 | 0 | 0 | 0 | 111.8 | L126 V127 F165 Y170 | V124-L126 PolarHBondContact O-N 3.42Å; V124-L126 VanDerWaalsContact O-N 3.1Å; V124-V127 WeakPolarHBondContact O-CB 3.48Å; V124-V127 WeakPolarHBondContact O-CG2 3.44Å; V124-V127 PolarHBondContact O-N 3.36Å; V124-V127 VanDerWaalsContact O-N 3.1Å; V124-F165 HydrophobicContact CG2-CB 4.06Å; V124-F165 HydrophobicContact CG2-CD1 4.36Å; V124-F165 HydrophobicContact CG2-CD2 3.16Å; V124-F165 HydrophobicContact CG2-CE2 3.58Å; V124-F165 HydrophobicContact CG2-CG 3.61Å; V124-F165 HydrophobicContact CG2-CZ 4.33Å; V124-Y170 HydrophobicContact CG1-CE2 4.28Å |
| 125 | G | 79.8 | Confident | 85.8 | Confident | 52 Ų | 52 | 38.4 Ų | 38.4 | 54% | 0.536 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -61.6 | -16.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | E123 P129 | E123-G125 PolarHBondContact O-N 3.18Å; G125-P129 WeakPolarHBondContact O-CD 3.44Å; G125-P129 WeakPolarHBondContact O-CG 3.48Å |
| 126 | L | 85.7 | Confident | 86 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.12 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -85.2 | -10.5 | 177.8 | -62.6 | 176.3 | 0 | 0 | 0 | 113.7 | L88 P121 E123 V124 P129 V130 L160 | L88-L126 HydrophobicContact CD1-CD1 4.19Å; L88-L126 HydrophobicContact CD1-CD2 3.73Å; L88-L126 HydrophobicContact CD2-CD2 4.12Å; P121-L126 HydrophobicContact CB-CD1 3.88Å; P121-L126 HydrophobicContact CG-CD1 3.7Å; E123-L126 HydrophobicContact CB-CD1 4.19Å; E123-L126 HydrophobicContact CB-CG 4.17Å; E123-L126 WeakPolarHBondContact O-CB 3.21Å; E123-L126 PolarHBondContact O-N 3.04Å; V124-L126 PolarHBondContact O-N 3.42Å; V124-L126 VanDerWaalsContact O-N 3.1Å; L126-P129 WeakPolarHBondContact O-CD 3.39Å; L126-V130 WeakPolarHBondContact O-CB 3.32Å; L126-V130 VanDerWaalsContact O-CG2 3.25Å; L126-V130 WeakPolarHBondContact O-CG2 3.49Å; L126-V130 PolarHBondContact O-N 3.23Å; L126-L160 HydrophobicContact CB-CD1 4.22Å; L126-L160 HydrophobicContact CB-CD2 4.2Å |
| 127 | V | 83.7 | Confident | 86 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | V124 V130 L131 L160 L167 V177 | V124-V127 WeakPolarHBondContact O-CB 3.48Å; V124-V127 WeakPolarHBondContact O-CG2 3.44Å; V124-V127 PolarHBondContact O-N 3.36Å; V124-V127 VanDerWaalsContact O-N 3.1Å; V127-V130 PolarHBondContact O-N 3.17Å; V127-L131 VanDerWaalsContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CB 3.48Å; V127-L131 PolarHBondContact O-N 3.18Å; V127-L160 HydrophobicContact CG2-CB 4.13Å; V127-L160 HydrophobicContact CG2-CD1 4.43Å; V127-L167 HydrophobicContact CG1-CD2 4.44Å; V127-L167 HydrophobicContact CG2-CD2 4.1Å; V127-V177 HydrophobicContact CG1-CG1 4.36Å |
| 128 | Q | 83.4 | Confident | 86.1 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 28% | 0.276 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.1 | -44.7 | -176.9 | -165.9 | 67.5 | 12.2 | 0 | 0 | 113.4 | V130 L131 S132 | Q128-V130 PolarHBondContact O-N 3.36Å; Q128-L131 PolarHBondContact O-N 3.22Å; Q128-S132 WeakPolarHBondContact O-CB 3.36Å; Q128-S132 PolarHBondContact O-N 3.31Å; Q128-S132 PolarHBondContact O-OG 3.04Å |
| 129 | P | 87.1 | Confident | 86.2 | Confident | 49 Ų | 49 | 45.7 Ų | 45.7 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56 | -48.2 | 172.4 | -27.9 | 35.1 | 0 | 0 | 0 | 112.9 | G125 L126 L131 S132 L133 | G125-P129 WeakPolarHBondContact O-CD 3.44Å; G125-P129 WeakPolarHBondContact O-CG 3.48Å; L126-P129 WeakPolarHBondContact O-CD 3.39Å; P129-L131 VanDerWaalsContact C-N 3.3Å; P129-L131 PolarHBondContact O-N 2.99Å; P129-S132 PolarHBondContact O-N 3.32Å; P129-S132 PolarHBondContact O-OG 3.18Å; P129-L133 WeakPolarHBondContact O-CG 3.4Å; P129-L133 PolarHBondContact O-N 3.13Å; P129-L133 VanDerWaalsContact O-N 3.15Å |
| 130 | V | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 178.9 | 172 | 0 | 0 | 0 | 0 | 110.9 | L88 L126 V127 Q128 L133 L134 L153 L157 L160 | L88-V130 HydrophobicContact CD2-CG2 4.35Å; L126-V130 WeakPolarHBondContact O-CB 3.32Å; L126-V130 VanDerWaalsContact O-CG2 3.25Å; L126-V130 WeakPolarHBondContact O-CG2 3.49Å; L126-V130 PolarHBondContact O-N 3.23Å; V127-V130 PolarHBondContact O-N 3.17Å; Q128-V130 PolarHBondContact O-N 3.36Å; V130-L133 PolarHBondContact O-N 3.41Å; V130-L134 HydrophobicContact CG1-CD1 4.22Å; V130-L134 WeakPolarHBondContact O-CG 3.32Å; V130-L134 PolarHBondContact O-N 3.49Å; V130-L134 VanDerWaalsContact O-N 3.15Å; V130-L153 HydrophobicContact CG1-CB 4.26Å; V130-L153 HydrophobicContact CG1-CD2 4.31Å; V130-L157 HydrophobicContact CG1-CB 4.16Å; V130-L160 HydrophobicContact CB-CD1 4.35Å; V130-L160 HydrophobicContact CG2-CD1 4.07Å |
| 131 | L | 87.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 177.3 | -164.3 | 62.3 | 0 | 0 | 0 | 111.9 | V127 Q128 P129 L133 L134 E135 L181 I184 | V127-L131 VanDerWaalsContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CB 3.48Å; V127-L131 PolarHBondContact O-N 3.18Å; Q128-L131 PolarHBondContact O-N 3.22Å; P129-L131 VanDerWaalsContact C-N 3.3Å; P129-L131 PolarHBondContact O-N 2.99Å; L131-L133 PolarHBondContact O-N 3.2Å; L131-L134 WeakPolarHBondContact O-CA 3.39Å; L131-L134 WeakPolarHBondContact O-CB 3.46Å; L131-L134 PolarHBondContact O-N 3.24Å; L131-E135 WeakPolarHBondContact O-CG 3.31Å; L131-E135 PolarHBondContact O-N 3.48Å; L131-L181 HydrophobicContact CD1-CB 4.43Å; L131-L181 HydrophobicContact CD1-CD1 3.62Å; L131-L181 HydrophobicContact CD2-CB 4.37Å; L131-I184 HydrophobicContact CD1-CB 4.33Å; L131-I184 HydrophobicContact CD1-CD1 3.31Å; L131-I184 HydrophobicContact CD1-CG1 4.42Å; L131-I184 HydrophobicContact CD1-CG2 4.16Å; L131-I184 HydrophobicContact CD2-CD1 3.98Å; L131-I184 HydrophobicContact CG-CD1 3.53Å |
| 132 | S | 88.6 | Confident | 84.5 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -31.7 | 178.7 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | Q128 P129 R136 | Q128-S132 WeakPolarHBondContact O-CB 3.36Å; Q128-S132 PolarHBondContact O-N 3.31Å; Q128-S132 PolarHBondContact O-OG 3.04Å; P129-S132 PolarHBondContact O-N 3.32Å; P129-S132 PolarHBondContact O-OG 3.18Å; S132-R136 VanDerWaalsContact O-CB 3.32Å; S132-R136 WeakPolarHBondContact O-CB 3.4Å; S132-R136 PolarHBondContact O-N 2.93Å |
| 133 | L | 90.7 | Very high | 84 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.3 | -36.2 | 173.6 | -69.6 | 175.1 | 0 | 0 | 0 | 112.2 | P129 V130 L131 H137 L153 | P129-L133 WeakPolarHBondContact O-CG 3.4Å; P129-L133 PolarHBondContact O-N 3.13Å; P129-L133 VanDerWaalsContact O-N 3.15Å; V130-L133 PolarHBondContact O-N 3.41Å; L131-L133 PolarHBondContact O-N 3.2Å; L133-H137 PolarHBondContact O-N 2.96Å; L133-H137 VanDerWaalsContact O-N 3.16Å; L133-L153 HydrophobicContact CB-CD1 3.65Å; L133-L153 HydrophobicContact CD1-CD1 4.43Å; L133-L153 HydrophobicContact CD1-CD2 4.09Å |
| 134 | L | 91.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.6 | -42.9 | 175.3 | -72.3 | 169.1 | 0 | 0 | 0 | 111.9 | V130 L131 H137 L138 P150 L153 L154 L157 I184 F188 | V130-L134 HydrophobicContact CG1-CD1 4.22Å; V130-L134 WeakPolarHBondContact O-CG 3.32Å; V130-L134 PolarHBondContact O-N 3.49Å; V130-L134 VanDerWaalsContact O-N 3.15Å; L131-L134 WeakPolarHBondContact O-CA 3.39Å; L131-L134 WeakPolarHBondContact O-CB 3.46Å; L131-L134 PolarHBondContact O-N 3.24Å; L134-H137 WeakPolarHBondContact O-CB 3.46Å; L134-H137 PolarHBondContact O-N 3.18Å; L134-L138 WeakPolarHBondContact O-CG 3.26Å; L134-L138 PolarHBondContact O-N 3.16Å; L134-L138 VanDerWaalsContact O-N 3.09Å; L134-P150 HydrophobicContact CD2-CB 3.91Å; L134-L153 HydrophobicContact CD1-CB 4.48Å; L134-L153 HydrophobicContact CD2-CB 3.63Å; L134-L153 HydrophobicContact CD2-CD1 4.16Å; L134-L153 HydrophobicContact CG-CB 3.99Å; L134-L153 HydrophobicContact CG-CD1 4.31Å; L134-L154 HydrophobicContact CD1-CD2 4.24Å; L134-L154 HydrophobicContact CD2-CD2 4.32Å; L134-L154 HydrophobicContact CD2-CG 4.06Å; L134-L157 HydrophobicContact CD1-CD2 3.63Å; L134-I184 HydrophobicContact CB-CG2 4.24Å; L134-F188 HydrophobicContact CB-CE2 3.95Å; L134-F188 HydrophobicContact CB-CZ 4.02Å; L134-F188 HydrophobicContact CD2-CE1 4.47Å; L134-F188 HydrophobicContact CD2-CE2 3.85Å; L134-F188 HydrophobicContact CD2-CZ 3.56Å; L134-F188 HydrophobicContact CG-CE2 4.33Å; L134-F188 HydrophobicContact CG-CZ 4.36Å |
| 135 | E | 90.4 | Very high | 83.1 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -50.9 | 173.5 | -70.9 | 168.1 | 173.1 | 0 | 0 | 110.9 | L131 H137 L138 E139 N180 I184 | L131-E135 WeakPolarHBondContact O-CG 3.31Å; L131-E135 PolarHBondContact O-N 3.48Å; E135-H137 PolarHBondContact O-N 3.24Å; E135-L138 WeakPolarHBondContact O-CA 3.46Å; E135-L138 WeakPolarHBondContact O-CB 3.32Å; E135-L138 PolarHBondContact O-N 3.07Å; E135-E139 WeakPolarHBondContact O-CG 3.5Å; E135-E139 PolarHBondContact O-N 3.16Å; E135-N180 PolarHBondContact OE1-ND2 2.71Å; E135-N180 PolarHBondContact OE1-OD1 2.86Å; E135-I184 HydrophobicContact CG-CD1 3.31Å; E135-I184 HydrophobicContact CG-CG1 3.9Å; E135-I184 WeakPolarHBondContact OE1-CD1 3.36Å |
| 136 | R | 88.3 | Confident | 83.3 | Confident | 104 Ų | 104 | 47.8 Ų | 47.8 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.4 | -38.1 | 177.3 | -171 | -171.8 | -52.1 | 168.3 | 7.5 | 112.3 | D94 S132 A140 | D94-R136 IonicContact OD1-NH1 3.66Å; D94-R136 PolarHBondContact OD1-NH1 3.09Å; S132-R136 VanDerWaalsContact O-CB 3.32Å; S132-R136 WeakPolarHBondContact O-CB 3.4Å; S132-R136 PolarHBondContact O-N 2.93Å; R136-A140 WeakPolarHBondContact O-CB 3.42Å; R136-A140 PolarHBondContact O-N 3.16Å |
| 137 | H | 87.2 | Confident | 83.3 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 176.1 | -172.7 | 91.9 | 0 | 0 | 0 | 112.3 | L133 L134 E135 A140 G141 S146 P150 | L133-H137 PolarHBondContact O-N 2.96Å; L133-H137 VanDerWaalsContact O-N 3.16Å; L134-H137 WeakPolarHBondContact O-CB 3.46Å; L134-H137 PolarHBondContact O-N 3.18Å; E135-H137 PolarHBondContact O-N 3.24Å; H137-A140 PolarHBondContact O-N 3.28Å; H137-G141 PolarHBondContact O-N 3.39Å; H137-S146 PolarHBondContact CE1-OG 3.04Å; H137-S146 VanDerWaalsContact CE1-OG 3.28Å; H137-P150 VanDerWaalsContact CE1-CD 3.48Å; H137-P150 WeakPolarHBondContact CE1-CD 3.5Å; H137-P150 WeakPolarHBondContact NE2-CG 3.42Å |
| 138 | L | 86.7 | Confident | 83.7 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.6 | -68.8 | 170.5 | 0 | 0 | 0 | 111.2 | L134 E135 G141 I184 E187 F188 | L134-L138 WeakPolarHBondContact O-CG 3.26Å; L134-L138 PolarHBondContact O-N 3.16Å; L134-L138 VanDerWaalsContact O-N 3.09Å; E135-L138 WeakPolarHBondContact O-CA 3.46Å; E135-L138 WeakPolarHBondContact O-CB 3.32Å; E135-L138 PolarHBondContact O-N 3.07Å; L138-G141 PolarHBondContact O-N 3.34Å; L138-I184 HydrophobicContact CD1-CG2 3.98Å; L138-E187 HydrophobicContact CD1-CB 3.9Å; L138-E187 WeakPolarHBondContact CD1-OE2 3.46Å; L138-E187 HydrophobicContact CD2-CB 4.33Å; L138-F188 HydrophobicContact CD1-CD2 4.26Å; L138-F188 HydrophobicContact CD1-CE2 3.81Å; L138-F188 HydrophobicContact CD1-CZ 4.04Å; L138-F188 HydrophobicContact CD2-CD1 4.03Å; L138-F188 HydrophobicContact CD2-CE1 3.8Å; L138-F188 HydrophobicContact CD2-CE2 4.29Å; L138-F188 HydrophobicContact CD2-CG 4.36Å; L138-F188 HydrophobicContact CD2-CZ 3.92Å; L138-F188 HydrophobicContact CG-CE1 4.19Å; L138-F188 HydrophobicContact CG-CE2 4.1Å; L138-F188 HydrophobicContact CG-CZ 3.8Å |
| 139 | E | 86.6 | Confident | 84.1 | Confident | 165 Ų | 165 | 47.8 Ų | 47.8 | 77% | 0.771 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.9 | -39.5 | 175.2 | -68.8 | 176.6 | 171.8 | 0 | 0 | 112.9 | E135 G141 | E135-E139 WeakPolarHBondContact O-CG 3.5Å; E135-E139 PolarHBondContact O-N 3.16Å; E139-G141 VanDerWaalsContact C-N 3.25Å; E139-G141 PolarHBondContact O-N 2.96Å |
| 140 | A | 83.2 | Confident | 84.3 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 52% | 0.521 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.5 | -15.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R136 H137 | R136-A140 WeakPolarHBondContact O-CB 3.42Å; R136-A140 PolarHBondContact O-N 3.16Å; H137-A140 PolarHBondContact O-N 3.28Å |
| 141 | G | 75 | Confident | 84.4 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | trans | 81.4 | 159.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H137 L138 E139 Q143 | H137-G141 PolarHBondContact O-N 3.39Å; L138-G141 PolarHBondContact O-N 3.34Å; E139-G141 VanDerWaalsContact C-N 3.25Å; E139-G141 PolarHBondContact O-N 2.96Å; G141-Q143 VanDerWaalsContact C-N 3.33Å; G141-Q143 PolarHBondContact O-N 3.46Å | ||
| 142 | D | 68.5 | Low | 84.6 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | trans | -74 | 75.4 | -175.2 | -169.2 | -9 | 0 | 0 | 0 | 112.7 | R192 | D142-R192 WeakPolarHBondContact OD1-CD 3.33Å; D142-R192 VanDerWaalsContact OD1-CG 3.3Å; D142-R192 WeakPolarHBondContact OD1-CG 3.49Å; D142-R192 IonicContact OD1-CZ 3.81Å; D142-R192 IonicContact OD1-NE 3.34Å; D142-R192 PolarHBondContact OD1-NE 3.35Å; D142-R192 IonicContact OD1-NH2 3.64Å; D142-R192 WeakPolarHBondContact OD2-CG 3.48Å; D142-R192 PolarHBondContact OD2-N 3.37Å; D142-R192 IonicContact OD2-NE 3.49Å | ||
| 143 | Q | 72.1 | Confident | 84.9 | Confident | 121 Ų | 121 | 45 Ų | 45 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | trans | -73.6 | 149.6 | 178.4 | -58.9 | -179.5 | 1.9 | 0 | 0 | 112.5 | G141 D145 S146 | G141-Q143 VanDerWaalsContact C-N 3.33Å; G141-Q143 PolarHBondContact O-N 3.46Å; Q143-D145 VanDerWaalsContact C-N 3.32Å; Q143-D145 PolarHBondContact O-N 3.41Å; Q143-D145 VanDerWaalsContact O-N 3.16Å; Q143-S146 WeakPolarHBondContact CB-OG 3.47Å; Q143-S146 PolarHBondContact O-N 2.87Å; Q143-S146 PolarHBondContact O-OG 3.15Å | ||
| 144 | A | 66.2 | Low | 85 | Confident | 75 Ų | 75 | 44.4 Ų | 44.4 | 62% | 0.62 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -32.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | R192 | A144-R192 VanDerWaalsContact CA-NH2 3.29Å; A144-R192 PolarHBondContact O-NH1 2.74Å |
| 145 | D | 73.5 | Confident | 84.9 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 2.3 | -174.4 | -157.7 | 30.4 | 0 | 0 | 0 | 114.1 | K102 Q143 K148 | K102-D145 VanDerWaalsContact CE-O 3.28Å; K102-D145 WeakPolarHBondContact CE-O 3.04Å; K102-D145 WeakPolarHBondContact CE-OD2 3.41Å; K102-D145 IonicContact NZ-OD2 3.99Å; K102-D145 PolarHBondContact NZ-OD2 3.3Å; Q143-D145 VanDerWaalsContact C-N 3.32Å; Q143-D145 PolarHBondContact O-N 3.41Å; Q143-D145 VanDerWaalsContact O-N 3.16Å; D145-K148 IonicContact OD1-NZ 3.86Å; D145-K148 PolarHBondContact OD1-NZ 2.86Å |
| 146 | S | 82.1 | Confident | 85 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -16.8 | -177.6 | 63.4 | 0 | 0 | 0 | 0 | 114.2 | H137 Q143 K148 E149 P150 | H137-S146 PolarHBondContact CE1-OG 3.04Å; H137-S146 VanDerWaalsContact CE1-OG 3.28Å; Q143-S146 WeakPolarHBondContact CB-OG 3.47Å; Q143-S146 PolarHBondContact O-N 2.87Å; Q143-S146 PolarHBondContact O-OG 3.15Å; S146-K148 PolarHBondContact O-N 3.23Å; S146-E149 WeakPolarHBondContact O-CB 3.38Å; S146-E149 PolarHBondContact O-N 3.14Å; S146-P150 VanDerWaalsContact O-CD 3.28Å; S146-P150 WeakPolarHBondContact O-CD 3.26Å |
| 147 | W | 87.4 | Confident | 85.1 | Confident | 40 Ų | 40 | 38 Ų | 38 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -18.6 | -173 | 72.4 | -91.2 | 0 | 0 | 0 | 115.8 | Y105 E149 P150 Y151 M194 L195 | Y105-W147 HydrophobicContact CD2-CH2 4.3Å; Y105-W147 HydrophobicContact CD2-CZ3 4.37Å; Y105-W147 HydrophobicContact CE1-CH2 4.28Å; Y105-W147 AromaticContact CE2-CH2 3.6Å; Y105-W147 HydrophobicContact CE2-CH2 3.6Å; Y105-W147 AromaticContact CE2-CZ3 3.89Å; Y105-W147 HydrophobicContact CE2-CZ3 3.89Å; Y105-W147 AromaticContact CZ-CH2 3.6Å; W147-E149 VanDerWaalsContact C-N 3.28Å; W147-E149 PolarHBondContact O-N 3.04Å; W147-P150 WeakPolarHBondContact O-CD 3.34Å; W147-P150 VanDerWaalsContact O-CG 3.29Å; W147-P150 WeakPolarHBondContact O-CG 3.32Å; W147-Y151 HydrophobicContact CZ3-CG 4.34Å; W147-Y151 WeakPolarHBondContact O-CB 3.42Å; W147-Y151 PolarHBondContact O-N 2.73Å; W147-M194 HydrophobicContact CE3-SD 4.49Å; W147-M194 HydrophobicContact CH2-CE 4.16Å; W147-M194 HydrophobicContact CH2-SD 3.9Å; W147-M194 HydrophobicContact CZ3-CE 4.31Å; W147-M194 HydrophobicContact CZ3-SD 3.49Å; W147-M194 WeakPolarHBondContact CZ3-SD 3.39Å; W147-L195 HydrophobicContact CB-CD1 4.26Å |
| 148 | K | 90.6 | Very high | 85.2 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.8 | -29.7 | 178.7 | -54.5 | -167.9 | -161.1 | 75.6 | 0 | 111.8 | K102 Y105 D145 S146 V152 | K102-K148 HydrophobicContact CB-CD 4.38Å; K102-K148 HydrophobicContact CG-CB 4.36Å; K102-K148 HydrophobicContact CG-CD 4.04Å; Y105-K148 HydrophobicContact CD1-CD 3.77Å; Y105-K148 HydrophobicContact CE1-CD 4.41Å; Y105-K148 HydrophobicContact CG-CB 4.47Å; Y105-K148 HydrophobicContact CG-CD 4.01Å; Y105-K148 HydrophobicContact CG-CG 4.37Å; D145-K148 IonicContact OD1-NZ 3.86Å; D145-K148 PolarHBondContact OD1-NZ 2.86Å; S146-K148 PolarHBondContact O-N 3.23Å; K148-V152 WeakPolarHBondContact O-CG2 3.44Å; K148-V152 PolarHBondContact O-N 3.35Å; K148-V152 VanDerWaalsContact O-N 3.13Å |
| 149 | E | 91.7 | Very high | 85.1 | Confident | 23 Ų | 23 | 37 Ų | 37 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -61.7 | 175.1 | 177.9 | 175.9 | -170.6 | 0 | 0 | 112.9 | R97 L98 C101 S146 W147 Y151 V152 L153 | R97-E149 VanDerWaalsContact CD-OE1 3.29Å; R97-E149 WeakPolarHBondContact CD-OE1 3.44Å; L98-E149 HydrophobicContact CD1-CB 3.86Å; C101-E149 HydrophobicContact CB-CB 4.04Å; C101-E149 HydrophobicContact CB-CG 4.48Å; S146-E149 WeakPolarHBondContact O-CB 3.38Å; S146-E149 PolarHBondContact O-N 3.14Å; W147-E149 VanDerWaalsContact C-N 3.28Å; W147-E149 PolarHBondContact O-N 3.04Å; E149-Y151 PolarHBondContact O-N 2.92Å; E149-V152 PolarHBondContact O-N 3.13Å; E149-V152 VanDerWaalsContact O-N 3.11Å; E149-L153 HydrophobicContact CG-CD1 3.87Å; E149-L153 HydrophobicContact CG-CG 4.49Å; E149-L153 WeakPolarHBondContact O-CG 3.41Å; E149-L153 PolarHBondContact O-N 2.83Å |
| 150 | P | 92.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -28.9 | 178.8 | 28.9 | -39.6 | 0 | 0 | 0 | 111.8 | L134 H137 S146 W147 L153 L154 F188 L195 | L134-P150 HydrophobicContact CD2-CB 3.91Å; H137-P150 VanDerWaalsContact CE1-CD 3.48Å; H137-P150 WeakPolarHBondContact CE1-CD 3.5Å; H137-P150 WeakPolarHBondContact NE2-CG 3.42Å; S146-P150 VanDerWaalsContact O-CD 3.28Å; S146-P150 WeakPolarHBondContact O-CD 3.26Å; W147-P150 WeakPolarHBondContact O-CD 3.34Å; W147-P150 VanDerWaalsContact O-CG 3.29Å; W147-P150 WeakPolarHBondContact O-CG 3.32Å; P150-L153 PolarHBondContact O-N 3.19Å; P150-L154 VanDerWaalsContact O-CB 3.24Å; P150-L154 WeakPolarHBondContact O-CB 3.41Å; P150-L154 WeakPolarHBondContact O-CG 3.43Å; P150-L154 PolarHBondContact O-N 3.35Å; P150-F188 HydrophobicContact CB-CE1 3.74Å; P150-F188 HydrophobicContact CB-CZ 4.09Å; P150-L195 HydrophobicContact CB-CD2 4.26Å; P150-L195 HydrophobicContact CG-CD1 3.86Å; P150-L195 HydrophobicContact CG-CD2 3.94Å |
| 151 | Y | 92.1 | Very high | 85 | Confident | 31 Ų | 31 | 26.2 Ų | 26.2 | 12% | 0.122 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 174.1 | 175.6 | -98.8 | 0 | 0 | 0 | 112.3 | Y105 Q108 W147 E149 L155 M194 T198 | Y105-Y151 AromaticContact CD2-CD1 3.65Å; Y105-Y151 HydrophobicContact CD2-CD1 3.65Å; Y105-Y151 AromaticContact CD2-CE1 3.67Å; Y105-Y151 HydrophobicContact CD2-CE1 3.67Å; Y105-Y151 HydrophobicContact CE2-CD1 4.09Å; Y105-Y151 AromaticContact CE2-CE1 3.87Å; Y105-Y151 HydrophobicContact CE2-CE1 3.87Å; Q108-Y151 VanDerWaalsContact OE1-CE1 3.26Å; W147-Y151 HydrophobicContact CZ3-CG 4.34Å; W147-Y151 WeakPolarHBondContact O-CB 3.42Å; W147-Y151 PolarHBondContact O-N 2.73Å; E149-Y151 PolarHBondContact O-N 2.92Å; Y151-L155 HydrophobicContact CD1-CD1 4.17Å; Y151-L155 HydrophobicContact CE1-CD1 3.54Å; Y151-L155 HydrophobicContact CE1-CG 4.48Å; Y151-L155 HydrophobicContact CE2-CD1 4.35Å; Y151-L155 WeakPolarHBondContact O-CG 3.28Å; Y151-L155 PolarHBondContact O-N 3.11Å; Y151-L155 VanDerWaalsContact O-N 3.13Å; Y151-M194 HydrophobicContact CD2-CG 3.88Å; Y151-M194 HydrophobicContact CD2-SD 3.83Å; Y151-M194 HydrophobicContact CE2-CG 3.77Å; Y151-M194 HydrophobicContact CE2-SD 3.62Å; Y151-M194 HydrophobicContact CG-SD 4.46Å; Y151-T198 HydrophobicContact CD2-CG2 4.36Å; Y151-T198 HydrophobicContact CE2-CG2 4.38Å; Y151-T198 WeakPolarHBondContact CE2-OG1 3.18Å |
| 152 | V | 92.5 | Very high | 85 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.5 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | C101 L104 K148 E149 L155 W156 | C101-V152 HydrophobicContact CB-CB 4.48Å; C101-V152 HydrophobicContact CB-CG2 4.42Å; L104-V152 HydrophobicContact CB-CG1 4.31Å; L104-V152 HydrophobicContact CB-CG2 4.17Å; L104-V152 HydrophobicContact CD1-CG1 3.91Å; K148-V152 WeakPolarHBondContact O-CG2 3.44Å; K148-V152 PolarHBondContact O-N 3.35Å; K148-V152 VanDerWaalsContact O-N 3.13Å; E149-V152 PolarHBondContact O-N 3.13Å; E149-V152 VanDerWaalsContact O-N 3.11Å; V152-L155 PolarHBondContact O-N 3.25Å; V152-W156 PolarHBondContact O-N 2.99Å |
| 153 | L | 93.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 178.3 | -66.3 | 174 | 0 | 0 | 0 | 112.4 | V87 V130 L133 L134 E149 P150 L155 W156 L157 | V87-L153 HydrophobicContact CG1-CD2 4.06Å; V130-L153 HydrophobicContact CG1-CB 4.26Å; V130-L153 HydrophobicContact CG1-CD2 4.31Å; L133-L153 HydrophobicContact CB-CD1 3.65Å; L133-L153 HydrophobicContact CD1-CD1 4.43Å; L133-L153 HydrophobicContact CD1-CD2 4.09Å; L134-L153 HydrophobicContact CD1-CB 4.48Å; L134-L153 HydrophobicContact CD2-CB 3.63Å; L134-L153 HydrophobicContact CD2-CD1 4.16Å; L134-L153 HydrophobicContact CG-CB 3.99Å; L134-L153 HydrophobicContact CG-CD1 4.31Å; E149-L153 HydrophobicContact CG-CD1 3.87Å; E149-L153 HydrophobicContact CG-CG 4.49Å; E149-L153 WeakPolarHBondContact O-CG 3.41Å; E149-L153 PolarHBondContact O-N 2.83Å; P150-L153 PolarHBondContact O-N 3.19Å; L153-L155 PolarHBondContact O-N 3.41Å; L153-W156 WeakPolarHBondContact O-CB 3.3Å; L153-W156 PolarHBondContact O-N 3.11Å; L153-L157 WeakPolarHBondContact O-CB 3.36Å; L153-L157 PolarHBondContact O-N 3.23Å |
| 154 | L | 93.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 175.3 | -75.1 | 169.7 | 0 | 0 | 0 | 112.1 | L134 P150 W156 L157 N158 L185 F188 L195 T198 A199 V202 | L134-L154 HydrophobicContact CD1-CD2 4.24Å; L134-L154 HydrophobicContact CD2-CD2 4.32Å; L134-L154 HydrophobicContact CD2-CG 4.06Å; P150-L154 VanDerWaalsContact O-CB 3.24Å; P150-L154 WeakPolarHBondContact O-CB 3.41Å; P150-L154 WeakPolarHBondContact O-CG 3.43Å; P150-L154 PolarHBondContact O-N 3.35Å; L154-W156 VanDerWaalsContact C-N 3.31Å; L154-L157 HydrophobicContact CD2-CD2 4.46Å; L154-L157 PolarHBondContact O-N 3.08Å; L154-N158 WeakPolarHBondContact O-CB 3.15Å; L154-N158 PolarHBondContact O-N 2.89Å; L154-L185 HydrophobicContact CD2-CD2 3.79Å; L154-F188 HydrophobicContact CD1-CD1 4.24Å; L154-F188 HydrophobicContact CD1-CG 4.26Å; L154-F188 HydrophobicContact CD2-CD2 4.06Å; L154-F188 HydrophobicContact CD2-CE2 4.26Å; L154-L195 HydrophobicContact CD1-CD2 4.19Å; L154-T198 HydrophobicContact CB-CG2 3.75Å; L154-T198 HydrophobicContact CD1-CG2 4.42Å; L154-A199 HydrophobicContact CD1-CB 4.44Å; L154-V202 HydrophobicContact CB-CG2 4.12Å; L154-V202 HydrophobicContact CD2-CG2 4.11Å; L154-V202 VanDerWaalsContact O-CG2 3.24Å; L154-V202 WeakPolarHBondContact O-CG2 3.22Å |
| 155 | L | 90.2 | Very high | 85.1 | Confident | 16 Ų | 16 | 30 Ų | 30 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 174.3 | -75.1 | 177.2 | 0 | 0 | 0 | 112 | V117 Y151 V152 L153 N158 A159 T198 | V117-L155 HydrophobicContact CG2-CB 4.41Å; Y151-L155 HydrophobicContact CD1-CD1 4.17Å; Y151-L155 HydrophobicContact CE1-CD1 3.54Å; Y151-L155 HydrophobicContact CE1-CG 4.48Å; Y151-L155 HydrophobicContact CE2-CD1 4.35Å; Y151-L155 WeakPolarHBondContact O-CG 3.28Å; Y151-L155 PolarHBondContact O-N 3.11Å; Y151-L155 VanDerWaalsContact O-N 3.13Å; V152-L155 PolarHBondContact O-N 3.25Å; L153-L155 PolarHBondContact O-N 3.41Å; L155-N158 PolarHBondContact O-N 3.03Å; L155-A159 PolarHBondContact O-N 3.26Å; L155-T198 HydrophobicContact CD2-CG2 4Å; L155-T198 HydrophobicContact CG-CG2 4.17Å |
| 156 | W | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -48 | 175.7 | -156.2 | -24.8 | 0 | 0 | 0 | 111.4 | I84 V87 L88 L120 P121 V152 L153 L154 N158 A159 L160 | I84-W156 HydrophobicContact CB-CH2 4.25Å; I84-W156 HydrophobicContact CG1-CH2 4.22Å; I84-W156 HydrophobicContact CG2-CH2 3.64Å; I84-W156 HydrophobicContact CG2-CZ2 3.98Å; V87-W156 HydrophobicContact CB-CZ3 4.45Å; V87-W156 HydrophobicContact CG1-CZ3 4.02Å; L88-W156 HydrophobicContact CD1-CH2 3.56Å; L88-W156 HydrophobicContact CD1-CZ2 3.64Å; L88-W156 HydrophobicContact CD2-CH2 3.81Å; L88-W156 HydrophobicContact CD2-CZ2 4.18Å; L88-W156 HydrophobicContact CD2-CZ3 4.28Å; L88-W156 HydrophobicContact CG-CH2 3.54Å; L88-W156 HydrophobicContact CG-CZ2 4.08Å; L88-W156 HydrophobicContact CG-CZ3 4.3Å; L120-W156 HydrophobicContact CB-CD2 4.3Å; L120-W156 HydrophobicContact CB-CG 4.23Å; L120-W156 HydrophobicContact CD1-CB 3.92Å; L120-W156 HydrophobicContact CD1-CD2 4.09Å; L120-W156 HydrophobicContact CD1-CG 3.77Å; L120-W156 HydrophobicContact CD2-CD2 4.1Å; L120-W156 HydrophobicContact CD2-CE3 4.23Å; L120-W156 HydrophobicContact CD2-CZ2 4.4Å; L120-W156 HydrophobicContact CD2-CZ3 4.44Å; L120-W156 HydrophobicContact CG-CD2 4.39Å; L120-W156 HydrophobicContact CG-CG 4.43Å; P121-W156 HydrophobicContact CG-CZ2 3.66Å; P121-W156 PolarHBondContact O-NE1 3.08Å; V152-W156 PolarHBondContact O-N 2.99Å; L153-W156 WeakPolarHBondContact O-CB 3.3Å; L153-W156 PolarHBondContact O-N 3.11Å; L154-W156 VanDerWaalsContact C-N 3.31Å; W156-N158 VanDerWaalsContact C-N 3.26Å; W156-N158 PolarHBondContact O-N 2.94Å; W156-A159 WeakPolarHBondContact O-CA 3.47Å; W156-A159 VanDerWaalsContact O-CB 3.32Å; W156-A159 WeakPolarHBondContact O-CB 3.45Å; W156-A159 PolarHBondContact O-N 3.32Å; W156-L160 PolarHBondContact O-N 2.79Å |
| 157 | L | 90.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.2 | -39.8 | 175 | -177.2 | 61.2 | 0 | 0 | 0 | 111.5 | V130 L134 L153 L154 A159 L160 C161 L181 L185 V202 | V130-L157 HydrophobicContact CG1-CB 4.16Å; L134-L157 HydrophobicContact CD1-CD2 3.63Å; L153-L157 WeakPolarHBondContact O-CB 3.36Å; L153-L157 PolarHBondContact O-N 3.23Å; L154-L157 HydrophobicContact CD2-CD2 4.46Å; L154-L157 PolarHBondContact O-N 3.08Å; L157-A159 PolarHBondContact O-N 3.21Å; L157-L160 PolarHBondContact O-N 3.28Å; L157-L160 VanDerWaalsContact O-N 3.12Å; L157-C161 PolarHBondContact O-N 2.96Å; L157-C161 PolarHBondContact O-SG 3.09Å; L157-L181 HydrophobicContact CD1-CD1 3.93Å; L157-L181 HydrophobicContact CD2-CD1 3.62Å; L157-L181 HydrophobicContact CG-CD1 4.2Å; L157-L185 HydrophobicContact CD2-CD2 4.15Å; L157-V202 HydrophobicContact CB-CG1 4.34Å; L157-V202 HydrophobicContact CD2-CG1 3.99Å; L157-V202 HydrophobicContact CG-CG1 3.83Å |
| 158 | N | 88.4 | Confident | 82 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -30.2 | 173.5 | 169.9 | 84.3 | 0 | 0 | 0 | 113.3 | L154 L155 W156 Q162 K201 V202 S205 | L154-N158 WeakPolarHBondContact O-CB 3.15Å; L154-N158 PolarHBondContact O-N 2.89Å; L155-N158 PolarHBondContact O-N 3.03Å; W156-N158 VanDerWaalsContact C-N 3.26Å; W156-N158 PolarHBondContact O-N 2.94Å; N158-Q162 WeakPolarHBondContact O-CG 2.77Å; N158-K201 PolarHBondContact OD1-O 3.2Å; N158-V202 HydrophobicContact CB-CB 4.34Å; N158-V202 HydrophobicContact CB-CG1 4.28Å; N158-V202 HydrophobicContact CB-CG2 3.9Å; N158-S205 PolarHBondContact OD1-OG 3.17Å |
| 159 | A | 85.6 | Confident | 80 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.5 | -43.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V117 L155 W156 L157 C161 Q162 | V117-A159 HydrophobicContact CG1-CB 3.83Å; L155-A159 PolarHBondContact O-N 3.26Å; W156-A159 WeakPolarHBondContact O-CA 3.47Å; W156-A159 VanDerWaalsContact O-CB 3.32Å; W156-A159 WeakPolarHBondContact O-CB 3.45Å; W156-A159 PolarHBondContact O-N 3.32Å; L157-A159 PolarHBondContact O-N 3.21Å; A159-C161 VanDerWaalsContact C-N 3.34Å; A159-C161 PolarHBondContact O-N 3.07Å; A159-Q162 WeakPolarHBondContact O-CB 2.91Å; A159-Q162 PolarHBondContact O-N 2.9Å; A159-Q162 VanDerWaalsContact O-N 3.07Å |
| 160 | L | 85.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 177.4 | -66 | 171 | 0 | 0 | 0 | 112.5 | E123 L126 V127 V130 W156 L157 Q162 T163 | E123-L160 WeakPolarHBondContact O-CD2 3.35Å; L126-L160 HydrophobicContact CB-CD1 4.22Å; L126-L160 HydrophobicContact CB-CD2 4.2Å; V127-L160 HydrophobicContact CG2-CB 4.13Å; V127-L160 HydrophobicContact CG2-CD1 4.43Å; V130-L160 HydrophobicContact CB-CD1 4.35Å; V130-L160 HydrophobicContact CG2-CD1 4.07Å; W156-L160 PolarHBondContact O-N 2.79Å; L157-L160 PolarHBondContact O-N 3.28Å; L157-L160 VanDerWaalsContact O-N 3.12Å; L160-Q162 PolarHBondContact O-N 3.01Å; L160-Q162 VanDerWaalsContact O-N 3.16Å; L160-T163 WeakPolarHBondContact O-CB 3.49Å; L160-T163 WeakPolarHBondContact O-CG2 3.21Å; L160-T163 PolarHBondContact O-N 3.18Å; L160-T163 VanDerWaalsContact O-N 3.11Å; L160-T163 PolarHBondContact O-OG1 3.27Å |
| 161 | C | 80.8 | Confident | 75.8 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.8 | 177 | -66.2 | 0 | 0 | 0 | 0 | 113.8 | L157 A159 T163 R209 | L157-C161 PolarHBondContact O-N 2.96Å; L157-C161 PolarHBondContact O-SG 3.09Å; A159-C161 VanDerWaalsContact C-N 3.34Å; A159-C161 PolarHBondContact O-N 3.07Å; C161-T163 VanDerWaalsContact C-N 3.32Å; C161-R209 PolarHBondContact O-NH1 2.96Å |
| 162 | Q | 76.6 | Confident | 73.7 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -3 | 178.2 | -61.2 | -168.6 | -72.1 | 0 | 0 | 113.5 | N158 A159 L160 | N158-Q162 WeakPolarHBondContact O-CG 2.77Å; A159-Q162 WeakPolarHBondContact O-CB 2.91Å; A159-Q162 PolarHBondContact O-N 2.9Å; A159-Q162 VanDerWaalsContact O-N 3.07Å; L160-Q162 PolarHBondContact O-N 3.01Å; L160-Q162 VanDerWaalsContact O-N 3.16Å |
| 163 | T | 74.3 | Confident | 71.8 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -68.8 | 141.7 | 176.2 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | C122 L160 C161 F165 R209 | C122-T163 HydrophobicContact CB-CG2 4.29Å; C122-T163 WeakPolarHBondContact O-CG2 3.37Å; L160-T163 WeakPolarHBondContact O-CB 3.49Å; L160-T163 WeakPolarHBondContact O-CG2 3.21Å; L160-T163 PolarHBondContact O-N 3.18Å; L160-T163 VanDerWaalsContact O-N 3.11Å; L160-T163 PolarHBondContact O-OG1 3.27Å; C161-T163 VanDerWaalsContact C-N 3.32Å; T163-F165 PolarHBondContact O-N 3.1Å; T163-F165 VanDerWaalsContact O-N 3.09Å; T163-R209 PolarHBondContact O-NH1 3.34Å |
| 164 | P | 64.1 | Low | 70 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -74.7 | 6.3 | -171.5 | 29.5 | -35.4 | 0 | 0 | 0 | 115.2 | ||
| 165 | F | 69.5 | Low | 68.3 | Low | 118 Ų | 118 | 67.6 Ų | 67.6 | 52% | 0.518 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -84.8 | 141.9 | -177.2 | -56.8 | -85.4 | 0 | 0 | 0 | 111.9 | V124 T163 L167 R209 | V124-F165 HydrophobicContact CG2-CB 4.06Å; V124-F165 HydrophobicContact CG2-CD1 4.36Å; V124-F165 HydrophobicContact CG2-CD2 3.16Å; V124-F165 HydrophobicContact CG2-CE2 3.58Å; V124-F165 HydrophobicContact CG2-CG 3.61Å; V124-F165 HydrophobicContact CG2-CZ 4.33Å; T163-F165 PolarHBondContact O-N 3.1Å; T163-F165 VanDerWaalsContact O-N 3.09Å; F165-L167 PolarHBondContact O-N 2.9Å; F165-L167 VanDerWaalsContact O-N 3.14Å; F165-R209 PolarHBondContact O-NH2 2.76Å |
| 166 | Q | 61 | Low | 67.3 | Low | 106 Ų | 106 | 69.1 Ų | 69.1 | 50% | 0.495 | 38% | 0.378 | S | S | . | . | trans | -66.2 | 107.1 | 176.2 | -71 | 178.7 | -9.6 | 0 | 0 | 110.5 | Y168 C169 | Q166-Y168 HydrophobicContact CB-CD1 3.79Å; Q166-Y168 HydrophobicContact CB-CE1 3.6Å; Q166-Y168 VanDerWaalsContact CD-CE1 3.41Å; Q166-Y168 HydrophobicContact CG-CD1 4.3Å; Q166-Y168 HydrophobicContact CG-CE1 3.76Å; Q166-Y168 PolarHBondContact O-N 3.11Å; Q166-Y168 PolarHBondContact OE1-OH 3.4Å; Q166-C169 PolarHBondContact O-N 3.19Å; Q166-C169 PolarHBondContact OE1-SG 3.47Å; Q166-C169 VanDerWaalsContact OE1-SG 3.33Å | ||
| 167 | L | 62.3 | Low | 66.3 | Low | 10 Ų | 10 | 69.8 Ų | 69.8 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -69.8 | -24.2 | -177.2 | -73 | 167.5 | 0 | 0 | 0 | 111.9 | V127 F165 C169 Y170 F206 D211 | V127-L167 HydrophobicContact CG1-CD2 4.44Å; V127-L167 HydrophobicContact CG2-CD2 4.1Å; F165-L167 PolarHBondContact O-N 2.9Å; F165-L167 VanDerWaalsContact O-N 3.14Å; L167-C169 PolarHBondContact O-N 3.01Å; L167-Y170 PolarHBondContact O-N 2.81Å; L167-F206 HydrophobicContact CD1-CD2 4.03Å; L167-F206 HydrophobicContact CD1-CE2 3.75Å; L167-D211 PolarHBondContact N-OD2 3.37Å |
| 168 | Y | 54 | Low | 65.6 | Low | 124 Ų | 124 | 69.9 Ų | 69.9 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -67.7 | -20.4 | 177.6 | 84.9 | -92.8 | 0 | 0 | 0 | 113.7 | Q166 Y170 D211 | Q166-Y168 HydrophobicContact CB-CD1 3.79Å; Q166-Y168 HydrophobicContact CB-CE1 3.6Å; Q166-Y168 VanDerWaalsContact CD-CE1 3.41Å; Q166-Y168 HydrophobicContact CG-CD1 4.3Å; Q166-Y168 HydrophobicContact CG-CE1 3.76Å; Q166-Y168 PolarHBondContact O-N 3.11Å; Q166-Y168 PolarHBondContact OE1-OH 3.4Å; Y168-Y170 VanDerWaalsContact C-N 3.28Å; Y168-Y170 PolarHBondContact O-N 3.07Å; Y168-D211 HydrophobicContact CD1-CB 4.36Å |
| 169 | C | 48.4 | Very low | 65.2 | Low | 73 Ų | 73 | 73.7 Ų | 73.7 | 49% | 0.493 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -77.3 | -11.2 | -177.2 | -67.6 | 0 | 0 | 0 | 0 | 113.7 | Q166 L167 Q171 | Q166-C169 PolarHBondContact O-N 3.19Å; Q166-C169 PolarHBondContact OE1-SG 3.47Å; Q166-C169 VanDerWaalsContact OE1-SG 3.33Å; L167-C169 PolarHBondContact O-N 3.01Å; C169-Q171 PolarHBondContact O-N 3.26Å |
| 170 | Y | 49.6 | Very low | 65.1 | Low | 130 Ų | 130 | 75 Ų | 75 | 51% | 0.51 | 41% | 0.406 | S | S | . | . | trans | -88.9 | 94.8 | 174.6 | -103 | -95.6 | 0 | 0 | 0 | 109.6 | V124 L167 Y168 V177 | V124-Y170 HydrophobicContact CG1-CE2 4.28Å; L167-Y170 PolarHBondContact O-N 2.81Å; Y168-Y170 VanDerWaalsContact C-N 3.28Å; Y168-Y170 PolarHBondContact O-N 3.07Å; Y170-V177 WeakPolarHBondContact O-CG2 3.25Å | ||
| 171 | Q | 47.2 | Very low | 65.1 | Low | 146 Ų | 146 | 75 Ų | 75 | 68% | 0.682 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 107.9 | 160 | -69.1 | -176.3 | -18.1 | 0 | 0 | 107.6 | C169 | C169-Q171 PolarHBondContact O-N 3.26Å |
| 172 | Q | 48.7 | Very low | 65.5 | Low | 121 Ų | 121 | 75.6 Ų | 75.6 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.6 | 161.1 | -82.7 | -170.8 | -15 | 0 | 0 | 107.5 | G174 | Q172-G174 VanDerWaalsContact C-N 3.27Å; Q172-G174 PolarHBondContact O-N 3.49Å |
| 173 | G | 51.7 | Low | 66 | Low | 93 Ų | 93 | 75 Ų | 75 | 96% | 0.959 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 174 | G | 55.3 | Low | 66.8 | Low | 63 Ų | 63 | 74.4 Ų | 74.4 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | -3.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q172 | Q172-G174 VanDerWaalsContact C-N 3.27Å; Q172-G174 PolarHBondContact O-N 3.49Å |
| 175 | E | 57.7 | Low | 68.1 | Low | 128 Ų | 128 | 68.4 Ų | 68.4 | 60% | 0.598 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 139.9 | 175 | -68.8 | -178.3 | 171.9 | 0 | 0 | 111.8 | V177 | E175-V177 PolarHBondContact O-N 2.98Å |
| 176 | N | 70.6 | Confident | 69.2 | Low | 48 Ų | 48 | 65.6 Ų | 65.6 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 100.5 | 173.3 | -176.3 | -11.3 | 0 | 0 | 0 | 109.2 | G178 E179 N180 | N176-G178 PolarHBondContact O-N 3.07Å; N176-G178 PolarHBondContact OD1-N 3.28Å; N176-E179 HydrophobicContact CB-CB 4.11Å; N176-E179 HydrophobicContact CB-CG 4.21Å; N176-E179 PolarHBondContact ND2-OE1 3.21Å; N176-E179 PolarHBondContact O-N 2.97Å; N176-N180 PolarHBondContact O-N 2.87Å |
| 177 | V | 71 | Confident | 70.6 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -51.4 | -32.5 | 178.4 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | V127 Y170 E175 L181 | V127-V177 HydrophobicContact CG1-CG1 4.36Å; Y170-V177 WeakPolarHBondContact O-CG2 3.25Å; E175-V177 PolarHBondContact O-N 2.98Å; V177-L181 WeakPolarHBondContact O-CB 3.39Å; V177-L181 PolarHBondContact O-N 2.92Å |
| 178 | G | 75.5 | Confident | 72 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N176 L182 F206 | N176-G178 PolarHBondContact O-N 3.07Å; N176-G178 PolarHBondContact OD1-N 3.28Å; G178-L182 WeakPolarHBondContact O-CB 3.3Å; G178-L182 PolarHBondContact O-N 3.43Å; G178-F206 WeakPolarHBondContact O-CZ 3.44Å |
| 179 | E | 79.8 | Confident | 73.7 | Confident | 102 Ų | 102 | 58 Ų | 58 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 176.1 | -77.8 | 168.1 | -146.4 | 0 | 0 | 111.2 | N176 L182 H183 Y215 | N176-E179 HydrophobicContact CB-CB 4.11Å; N176-E179 HydrophobicContact CB-CG 4.21Å; N176-E179 PolarHBondContact ND2-OE1 3.21Å; N176-E179 PolarHBondContact O-N 2.97Å; E179-L182 WeakPolarHBondContact O-CB 3.47Å; E179-L182 PolarHBondContact O-N 3.17Å; E179-L182 VanDerWaalsContact O-N 3.17Å; E179-H183 PolarHBondContact O-N 3.48Å; E179-Y215 HydrophobicContact CG-CE1 4.32Å; E179-Y215 WeakPolarHBondContact CG-OH 3.44Å; E179-Y215 PolarHBondContact OE1-OH 3.49Å |
| 180 | N | 83.5 | Confident | 75.5 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.4 | -173.3 | 17.3 | 0 | 0 | 0 | 111 | E135 N176 L182 H183 I184 | E135-N180 PolarHBondContact OE1-ND2 2.71Å; E135-N180 PolarHBondContact OE1-OD1 2.86Å; N176-N180 PolarHBondContact O-N 2.87Å; N180-L182 VanDerWaalsContact C-N 3.29Å; N180-L182 PolarHBondContact O-N 3.41Å; N180-H183 WeakPolarHBondContact O-CB 3.14Å; N180-H183 PolarHBondContact O-N 2.97Å; N180-H183 VanDerWaalsContact O-N 3.13Å; N180-I184 WeakPolarHBondContact O-CD1 3.35Å; N180-I184 WeakPolarHBondContact O-CG1 3.37Å; N180-I184 PolarHBondContact O-N 3.01Å; N180-I184 VanDerWaalsContact OD1-CD1 3.28Å; N180-I184 WeakPolarHBondContact OD1-CD1 3.28Å |
| 181 | L | 86.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 173.2 | 176.3 | 61.9 | 0 | 0 | 0 | 112.8 | L131 L157 V177 L185 F206 | L131-L181 HydrophobicContact CD1-CB 4.43Å; L131-L181 HydrophobicContact CD1-CD1 3.62Å; L131-L181 HydrophobicContact CD2-CB 4.37Å; L157-L181 HydrophobicContact CD1-CD1 3.93Å; L157-L181 HydrophobicContact CD2-CD1 3.62Å; L157-L181 HydrophobicContact CG-CD1 4.2Å; V177-L181 WeakPolarHBondContact O-CB 3.39Å; V177-L181 PolarHBondContact O-N 2.92Å; L181-L185 HydrophobicContact CD1-CD1 4.17Å; L181-L185 HydrophobicContact CD1-CG 4.27Å; L181-L185 HydrophobicContact CG-CD1 4.27Å; L181-L185 WeakPolarHBondContact O-CB 3.16Å; L181-L185 VanDerWaalsContact O-CG 3.24Å; L181-L185 WeakPolarHBondContact O-CG 3.3Å; L181-L185 PolarHBondContact O-N 3.1Å; L181-L185 VanDerWaalsContact O-N 3.09Å; L181-F206 HydrophobicContact CB-CE1 4.49Å; L181-F206 HydrophobicContact CB-CZ 4.31Å; L181-F206 HydrophobicContact CD2-CD1 4.41Å; L181-F206 HydrophobicContact CD2-CD2 3.72Å; L181-F206 HydrophobicContact CD2-CE1 4.13Å; L181-F206 HydrophobicContact CD2-CE2 3.44Å; L181-F206 VanDerWaalsContact CD2-CE2 3.44Å; L181-F206 HydrophobicContact CD2-CG 4.21Å; L181-F206 HydrophobicContact CD2-CZ 3.65Å; L181-F206 HydrophobicContact CG-CD1 4.46Å; L181-F206 HydrophobicContact CG-CE1 4.15Å; L181-F206 HydrophobicContact CG-CE2 4.33Å; L181-F206 HydrophobicContact CG-CZ 4.08Å |
| 182 | L | 87.7 | Confident | 78.5 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 175.3 | -179.7 | 62.8 | 0 | 0 | 0 | 111.3 | G178 E179 N180 L185 I186 L203 F206 Y215 Q219 | G178-L182 WeakPolarHBondContact O-CB 3.3Å; G178-L182 PolarHBondContact O-N 3.43Å; E179-L182 WeakPolarHBondContact O-CB 3.47Å; E179-L182 PolarHBondContact O-N 3.17Å; E179-L182 VanDerWaalsContact O-N 3.17Å; N180-L182 VanDerWaalsContact C-N 3.29Å; N180-L182 PolarHBondContact O-N 3.41Å; L182-L185 PolarHBondContact O-N 3.17Å; L182-I186 HydrophobicContact CD1-CD1 4.1Å; L182-I186 HydrophobicContact CD1-CG1 4.5Å; L182-I186 HydrophobicContact CG-CD1 4Å; L182-I186 WeakPolarHBondContact O-CG1 3.3Å; L182-I186 PolarHBondContact O-N 3.07Å; L182-L203 HydrophobicContact CD1-CD1 3.44Å; L182-L203 VanDerWaalsContact CD1-CD1 3.44Å; L182-F206 HydrophobicContact CB-CE1 4.19Å; L182-Y215 HydrophobicContact CD2-CD1 3.42Å; L182-Y215 VanDerWaalsContact CD2-CD1 3.42Å; L182-Y215 HydrophobicContact CD2-CE1 3.93Å; L182-Y215 HydrophobicContact CD2-CG 4.17Å; L182-Q219 HydrophobicContact CD1-CG 4.16Å |
| 183 | H | 88.6 | Confident | 80 | Confident | 105 Ų | 105 | 48.6 Ų | 48.6 | 49% | 0.486 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.5 | -51 | 179.1 | -175.1 | -89.7 | 0 | 0 | 0 | 111.3 | E179 N180 L185 I186 E187 | E179-H183 PolarHBondContact O-N 3.48Å; N180-H183 WeakPolarHBondContact O-CB 3.14Å; N180-H183 PolarHBondContact O-N 2.97Å; N180-H183 VanDerWaalsContact O-N 3.13Å; H183-L185 VanDerWaalsContact C-N 3.33Å; H183-L185 PolarHBondContact O-N 3.25Å; H183-I186 WeakPolarHBondContact O-CB 3.5Å; H183-I186 PolarHBondContact O-N 2.85Å; H183-E187 IonicContact CE1-OE1 2.66Å; H183-E187 PolarHBondContact CE1-OE1 3.06Å; H183-E187 IonicContact CE1-OE2 2.71Å; H183-E187 IonicContact ND1-OE1 3.74Å; H183-E187 IonicContact ND1-OE2 3.6Å; H183-E187 PolarHBondContact ND1-OE2 3.49Å; H183-E187 PolarHBondContact O-N 2.82Å |
| 184 | I | 89.8 | Confident | 81.5 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 179.3 | -70.4 | 158 | 0 | 0 | 0 | 111.3 | L131 L134 E135 L138 N180 I186 E187 F188 | L131-I184 HydrophobicContact CD1-CB 4.33Å; L131-I184 HydrophobicContact CD1-CD1 3.31Å; L131-I184 HydrophobicContact CD1-CG1 4.42Å; L131-I184 HydrophobicContact CD1-CG2 4.16Å; L131-I184 HydrophobicContact CD2-CD1 3.98Å; L131-I184 HydrophobicContact CG-CD1 3.53Å; L134-I184 HydrophobicContact CB-CG2 4.24Å; E135-I184 HydrophobicContact CG-CD1 3.31Å; E135-I184 HydrophobicContact CG-CG1 3.9Å; E135-I184 WeakPolarHBondContact OE1-CD1 3.36Å; L138-I184 HydrophobicContact CD1-CG2 3.98Å; N180-I184 WeakPolarHBondContact O-CD1 3.35Å; N180-I184 WeakPolarHBondContact O-CG1 3.37Å; N180-I184 PolarHBondContact O-N 3.01Å; N180-I184 VanDerWaalsContact OD1-CD1 3.28Å; N180-I184 WeakPolarHBondContact OD1-CD1 3.28Å; I184-I186 VanDerWaalsContact C-N 3.28Å; I184-I186 PolarHBondContact O-N 3.28Å; I184-E187 PolarHBondContact O-N 3.22Å; I184-F188 HydrophobicContact CG2-CD2 4.02Å; I184-F188 HydrophobicContact CG2-CE2 3.62Å; I184-F188 WeakPolarHBondContact O-CD2 3.29Å; I184-F188 PolarHBondContact O-N 3.29Å; I184-F188 VanDerWaalsContact O-N 3.15Å |
| 185 | L | 92.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -34.7 | 178.1 | -73.5 | 176 | 0 | 0 | 0 | 112.7 | L154 L157 L181 L182 H183 F189 V202 L203 F206 | L154-L185 HydrophobicContact CD2-CD2 3.79Å; L157-L185 HydrophobicContact CD2-CD2 4.15Å; L181-L185 HydrophobicContact CD1-CD1 4.17Å; L181-L185 HydrophobicContact CD1-CG 4.27Å; L181-L185 HydrophobicContact CG-CD1 4.27Å; L181-L185 WeakPolarHBondContact O-CB 3.16Å; L181-L185 VanDerWaalsContact O-CG 3.24Å; L181-L185 WeakPolarHBondContact O-CG 3.3Å; L181-L185 PolarHBondContact O-N 3.1Å; L181-L185 VanDerWaalsContact O-N 3.09Å; L182-L185 PolarHBondContact O-N 3.17Å; H183-L185 VanDerWaalsContact C-N 3.33Å; H183-L185 PolarHBondContact O-N 3.25Å; L185-F189 VanDerWaalsContact O-CD2 3.29Å; L185-F189 WeakPolarHBondContact O-CD2 3.39Å; L185-V202 HydrophobicContact CD1-CB 4.32Å; L185-V202 HydrophobicContact CD1-CG1 3.98Å; L185-V202 HydrophobicContact CD2-CB 3.73Å; L185-V202 HydrophobicContact CD2-CG1 3.79Å; L185-V202 HydrophobicContact CD2-CG2 4.3Å; L185-L203 HydrophobicContact CB-CD1 4.35Å; L185-L203 HydrophobicContact CD1-CB 4.33Å; L185-L203 HydrophobicContact CD1-CD1 4.33Å; L185-F206 HydrophobicContact CD1-CB 4.48Å; L185-F206 HydrophobicContact CD1-CD1 4.33Å |
| 186 | I | 91.7 | Very high | 84.8 | Confident | 59 Ų | 59 | 38.5 Ų | 38.5 | 30% | 0.303 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.7 | -40.5 | 174.6 | -67.9 | 168.7 | 0 | 0 | 0 | 110.5 | L182 H183 I184 F188 F189 | L182-I186 HydrophobicContact CD1-CD1 4.1Å; L182-I186 HydrophobicContact CD1-CG1 4.5Å; L182-I186 HydrophobicContact CG-CD1 4Å; L182-I186 WeakPolarHBondContact O-CG1 3.3Å; L182-I186 PolarHBondContact O-N 3.07Å; H183-I186 WeakPolarHBondContact O-CB 3.5Å; H183-I186 PolarHBondContact O-N 2.85Å; I184-I186 VanDerWaalsContact C-N 3.28Å; I184-I186 PolarHBondContact O-N 3.28Å; I186-F188 VanDerWaalsContact C-N 3.26Å; I186-F188 PolarHBondContact O-N 3.39Å; I186-F189 VanDerWaalsContact O-CB 3.25Å; I186-F189 WeakPolarHBondContact O-CB 3.04Å; I186-F189 PolarHBondContact O-N 3.21Å |
| 187 | E | 90.6 | Very high | 85.8 | Confident | 73 Ų | 73 | 38.7 Ų | 38.7 | 34% | 0.341 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.1 | -35.2 | 177 | -72.8 | -172.2 | 134.6 | 0 | 0 | 112.7 | L138 H183 I184 F189 N190 | L138-E187 HydrophobicContact CD1-CB 3.9Å; L138-E187 WeakPolarHBondContact CD1-OE2 3.46Å; L138-E187 HydrophobicContact CD2-CB 4.33Å; H183-E187 IonicContact CE1-OE1 2.66Å; H183-E187 PolarHBondContact CE1-OE1 3.06Å; H183-E187 IonicContact CE1-OE2 2.71Å; H183-E187 IonicContact ND1-OE1 3.74Å; H183-E187 IonicContact ND1-OE2 3.6Å; H183-E187 PolarHBondContact ND1-OE2 3.49Å; H183-E187 PolarHBondContact O-N 2.82Å; I184-E187 PolarHBondContact O-N 3.22Å; E187-F189 PolarHBondContact O-N 3.24Å; E187-F189 VanDerWaalsContact O-N 3.1Å; E187-N190 WeakPolarHBondContact O-CB 3.4Å; E187-N190 PolarHBondContact O-N 3.23Å |
| 188 | F | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63.6 | -13.4 | 173 | -79.5 | -70.1 | 0 | 0 | 0 | 114.5 | L134 L138 P150 L154 I184 I186 N190 C191 L195 A199 | L134-F188 HydrophobicContact CB-CE2 3.95Å; L134-F188 HydrophobicContact CB-CZ 4.02Å; L134-F188 HydrophobicContact CD2-CE1 4.47Å; L134-F188 HydrophobicContact CD2-CE2 3.85Å; L134-F188 HydrophobicContact CD2-CZ 3.56Å; L134-F188 HydrophobicContact CG-CE2 4.33Å; L134-F188 HydrophobicContact CG-CZ 4.36Å; L138-F188 HydrophobicContact CD1-CD2 4.26Å; L138-F188 HydrophobicContact CD1-CE2 3.81Å; L138-F188 HydrophobicContact CD1-CZ 4.04Å; L138-F188 HydrophobicContact CD2-CD1 4.03Å; L138-F188 HydrophobicContact CD2-CE1 3.8Å; L138-F188 HydrophobicContact CD2-CE2 4.29Å; L138-F188 HydrophobicContact CD2-CG 4.36Å; L138-F188 HydrophobicContact CD2-CZ 3.92Å; L138-F188 HydrophobicContact CG-CE1 4.19Å; L138-F188 HydrophobicContact CG-CE2 4.1Å; L138-F188 HydrophobicContact CG-CZ 3.8Å; P150-F188 HydrophobicContact CB-CE1 3.74Å; P150-F188 HydrophobicContact CB-CZ 4.09Å; L154-F188 HydrophobicContact CD1-CD1 4.24Å; L154-F188 HydrophobicContact CD1-CG 4.26Å; L154-F188 HydrophobicContact CD2-CD2 4.06Å; L154-F188 HydrophobicContact CD2-CE2 4.26Å; I184-F188 HydrophobicContact CG2-CD2 4.02Å; I184-F188 HydrophobicContact CG2-CE2 3.62Å; I184-F188 WeakPolarHBondContact O-CD2 3.29Å; I184-F188 PolarHBondContact O-N 3.29Å; I184-F188 VanDerWaalsContact O-N 3.15Å; I186-F188 VanDerWaalsContact C-N 3.26Å; I186-F188 PolarHBondContact O-N 3.39Å; F188-N190 PolarHBondContact O-N 3.12Å; F188-C191 HydrophobicContact CD1-CB 4.4Å; F188-C191 PolarHBondContact O-N 3.49Å; F188-L195 HydrophobicContact CD1-CB 4.48Å; F188-A199 HydrophobicContact CB-CB 3.58Å |
| 189 | F | 90 | Very high | 87.7 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -70.5 | -10.9 | 169.1 | -78.7 | -119.3 | 0 | 0 | 0 | 112.7 | L185 I186 E187 K196 A199 A200 L203 T241 A244 W245 | L185-F189 VanDerWaalsContact O-CD2 3.29Å; L185-F189 WeakPolarHBondContact O-CD2 3.39Å; I186-F189 VanDerWaalsContact O-CB 3.25Å; I186-F189 WeakPolarHBondContact O-CB 3.04Å; I186-F189 PolarHBondContact O-N 3.21Å; E187-F189 PolarHBondContact O-N 3.24Å; E187-F189 VanDerWaalsContact O-N 3.1Å; F189-K196 WeakPolarHBondContact O-CE 3.03Å; F189-A199 HydrophobicContact CD2-CB 4.3Å; F189-A199 HydrophobicContact CE2-CB 4.18Å; F189-A200 HydrophobicContact CE1-CB 4.38Å; F189-A200 HydrophobicContact CE2-CB 4.4Å; F189-A200 HydrophobicContact CZ-CB 3.73Å; F189-L203 HydrophobicContact CE2-CD2 3.93Å; F189-L203 HydrophobicContact CZ-CD2 3.98Å; F189-T241 HydrophobicContact CD1-CG2 4.44Å; F189-A244 HydrophobicContact CD1-CB 4.05Å; F189-A244 HydrophobicContact CE1-CB 3.74Å; F189-A244 HydrophobicContact CZ-CB 4.42Å; F189-W245 HydrophobicContact CD1-CD2 4.16Å; F189-W245 AromaticContact CD1-CE2 3.68Å; F189-W245 AromaticContact CD1-CZ2 3.94Å; F189-W245 HydrophobicContact CD1-CZ2 3.94Å; F189-W245 AromaticContact CD1-NE1 3.75Å; F189-W245 AromaticContact CE1-CD2 3.56Å; F189-W245 HydrophobicContact CE1-CD2 3.56Å; F189-W245 AromaticContact CE1-CE2 3.54Å; F189-W245 AromaticContact CE1-CE3 3.9Å; F189-W245 HydrophobicContact CE1-CE3 3.9Å; F189-W245 HydrophobicContact CE1-CG 4.01Å; F189-W245 HydrophobicContact CE1-CH2 4.2Å; F189-W245 AromaticContact CE1-CZ2 3.88Å; F189-W245 HydrophobicContact CE1-CZ2 3.88Å; F189-W245 HydrophobicContact CE1-CZ3 4.21Å; F189-W245 AromaticContact CE1-NE1 3.93Å; F189-W245 HydrophobicContact CZ-CD2 4.38Å; F189-W245 HydrophobicContact CZ-CE3 4.28Å; F189-W245 HydrophobicContact CZ-CH2 4.38Å; F189-W245 HydrophobicContact CZ-CZ2 4.47Å; F189-W245 HydrophobicContact CZ-CZ3 4.28Å |
| 190 | N | 85.2 | Confident | 88.5 | Confident | 131 Ų | 131 | 33.1 Ų | 33.1 | 70% | 0.701 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -92.9 | -15.3 | 174.1 | -62.1 | -38.7 | 0 | 0 | 0 | 113.1 | E187 F188 | E187-N190 WeakPolarHBondContact O-CB 3.4Å; E187-N190 PolarHBondContact O-N 3.23Å; F188-N190 PolarHBondContact O-N 3.12Å |
| 191 | C | 84.8 | Confident | 88.9 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 10% | 0.095 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -81 | -172.8 | -176.6 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | F188 L195 K196 | F188-C191 HydrophobicContact CD1-CB 4.4Å; F188-C191 PolarHBondContact O-N 3.49Å; C191-L195 HydrophobicContact CB-CB 4.18Å; C191-L195 HydrophobicContact CB-CD1 3.96Å; C191-K196 VanDerWaalsContact O-CD 3.3Å; C191-K196 WeakPolarHBondContact O-CD 3.25Å; C191-K196 WeakPolarHBondContact O-CE 3.46Å; C191-K196 VanDerWaalsContact O-CG 3.3Å; C191-K196 WeakPolarHBondContact O-CG 3.48Å; C191-K196 PolarHBondContact O-NZ 3.49Å |
| 192 | R | 76.4 | Confident | 89.2 | Confident | 85 Ų | 85 | 33.6 Ų | 33.6 | 32% | 0.321 | 17% | 0.165 | S | C | . | . | trans | -48.8 | 153.2 | 174.9 | -49 | -168 | 176 | -139.4 | -35.2 | 115 | D142 A144 M194 L195 K196 | D142-R192 WeakPolarHBondContact OD1-CD 3.33Å; D142-R192 VanDerWaalsContact OD1-CG 3.3Å; D142-R192 WeakPolarHBondContact OD1-CG 3.49Å; D142-R192 IonicContact OD1-CZ 3.81Å; D142-R192 IonicContact OD1-NE 3.34Å; D142-R192 PolarHBondContact OD1-NE 3.35Å; D142-R192 IonicContact OD1-NH2 3.64Å; D142-R192 WeakPolarHBondContact OD2-CG 3.48Å; D142-R192 PolarHBondContact OD2-N 3.37Å; D142-R192 IonicContact OD2-NE 3.49Å; A144-R192 VanDerWaalsContact CA-NH2 3.29Å; A144-R192 PolarHBondContact O-NH1 2.74Å; R192-M194 PolarHBondContact O-N 3.23Å; R192-M194 VanDerWaalsContact O-N 3.16Å; R192-L195 WeakPolarHBondContact O-CB 3.28Å; R192-L195 PolarHBondContact O-N 2.98Å; R192-K196 PolarHBondContact O-N 3.47Å; R192-K196 VanDerWaalsContact O-N 3.09Å | ||
| 193 | S | 78.5 | Confident | 89.6 | Confident | 43 Ų | 43 | 33 Ų | 33 | 30% | 0.301 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -49.3 | -44.3 | -176.6 | 59 | 0 | 0 | 0 | 0 | 115.7 | L195 K196 E197 | S193-L195 VanDerWaalsContact C-N 3.35Å; S193-K196 PolarHBondContact O-N 3.43Å; S193-E197 PolarHBondContact O-N 3.28Å |
| 194 | M | 83.9 | Confident | 89.8 | Confident | 68 Ų | 68 | 28 Ų | 28 | 34% | 0.335 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -70 | -32.5 | -179.1 | -168 | 179.6 | -65.5 | 0 | 0 | 112.7 | Y105 W147 Y151 R192 T198 | Y105-M194 HydrophobicContact CE2-SD 4.36Å; W147-M194 HydrophobicContact CE3-SD 4.49Å; W147-M194 HydrophobicContact CH2-CE 4.16Å; W147-M194 HydrophobicContact CH2-SD 3.9Å; W147-M194 HydrophobicContact CZ3-CE 4.31Å; W147-M194 HydrophobicContact CZ3-SD 3.49Å; W147-M194 WeakPolarHBondContact CZ3-SD 3.39Å; Y151-M194 HydrophobicContact CD2-CG 3.88Å; Y151-M194 HydrophobicContact CD2-SD 3.83Å; Y151-M194 HydrophobicContact CE2-CG 3.77Å; Y151-M194 HydrophobicContact CE2-SD 3.62Å; Y151-M194 HydrophobicContact CG-SD 4.46Å; R192-M194 PolarHBondContact O-N 3.23Å; R192-M194 VanDerWaalsContact O-N 3.16Å; M194-T198 WeakPolarHBondContact O-CB 3.29Å; M194-T198 PolarHBondContact O-N 2.98Å; M194-T198 PolarHBondContact O-OG1 2.83Å |
| 195 | L | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.5 | -44.3 | 176.1 | -60.9 | 179.4 | 0 | 0 | 0 | 110.1 | W147 P150 L154 F188 C191 R192 S193 E197 T198 A199 | W147-L195 HydrophobicContact CB-CD1 4.26Å; P150-L195 HydrophobicContact CB-CD2 4.26Å; P150-L195 HydrophobicContact CG-CD1 3.86Å; P150-L195 HydrophobicContact CG-CD2 3.94Å; L154-L195 HydrophobicContact CD1-CD2 4.19Å; F188-L195 HydrophobicContact CD1-CB 4.48Å; C191-L195 HydrophobicContact CB-CB 4.18Å; C191-L195 HydrophobicContact CB-CD1 3.96Å; R192-L195 WeakPolarHBondContact O-CB 3.28Å; R192-L195 PolarHBondContact O-N 2.98Å; S193-L195 VanDerWaalsContact C-N 3.35Å; L195-E197 PolarHBondContact O-N 2.68Å; L195-T198 PolarHBondContact O-N 3.49Å; L195-A199 WeakPolarHBondContact O-CB 3.48Å; L195-A199 PolarHBondContact O-N 3.24Å |
| 196 | K | 92.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.022 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -50.8 | -52.8 | 173.6 | -64.2 | 175.6 | 160.5 | 123.3 | 0 | 112 | F189 C191 R192 S193 T198 A200 T241 A244 | F189-K196 WeakPolarHBondContact O-CE 3.03Å; C191-K196 VanDerWaalsContact O-CD 3.3Å; C191-K196 WeakPolarHBondContact O-CD 3.25Å; C191-K196 WeakPolarHBondContact O-CE 3.46Å; C191-K196 VanDerWaalsContact O-CG 3.3Å; C191-K196 WeakPolarHBondContact O-CG 3.48Å; C191-K196 PolarHBondContact O-NZ 3.49Å; R192-K196 PolarHBondContact O-N 3.47Å; R192-K196 VanDerWaalsContact O-N 3.09Å; S193-K196 PolarHBondContact O-N 3.43Å; K196-T198 VanDerWaalsContact C-N 3.28Å; K196-T198 PolarHBondContact O-N 2.61Å; K196-A200 WeakPolarHBondContact O-CB 3.49Å; K196-A200 PolarHBondContact O-N 2.77Å; K196-T241 WeakPolarHBondContact CE-OG1 3.45Å; K196-A244 HydrophobicContact CB-CB 3.99Å |
| 197 | E | 91.7 | Very high | 89.7 | Confident | 51 Ų | 51 | 25.2 Ų | 25.2 | 24% | 0.238 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.3 | -31.2 | 179.3 | -67.8 | -163.9 | 179.1 | 0 | 0 | 113.2 | S193 L195 K201 I247 | S193-E197 PolarHBondContact O-N 3.28Å; L195-E197 PolarHBondContact O-N 2.68Å; E197-K201 WeakPolarHBondContact O-CD 3.39Å; E197-K201 VanDerWaalsContact O-CE 3.24Å; E197-K201 WeakPolarHBondContact O-CE 3.41Å; E197-K201 WeakPolarHBondContact O-CG 3.28Å; E197-K201 PolarHBondContact O-N 3.24Å; E197-K201 IonicContact OE2-NZ 3.95Å; E197-I247 HydrophobicContact CB-CD1 3.92Å; E197-I247 HydrophobicContact CG-CD1 3.62Å |
| 198 | T | 91.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -78.6 | -44.6 | -178.1 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | Y151 L154 L155 M194 L195 K196 A200 K201 V202 | Y151-T198 HydrophobicContact CD2-CG2 4.36Å; Y151-T198 HydrophobicContact CE2-CG2 4.38Å; Y151-T198 WeakPolarHBondContact CE2-OG1 3.18Å; L154-T198 HydrophobicContact CB-CG2 3.75Å; L154-T198 HydrophobicContact CD1-CG2 4.42Å; L155-T198 HydrophobicContact CD2-CG2 4Å; L155-T198 HydrophobicContact CG-CG2 4.17Å; M194-T198 WeakPolarHBondContact O-CB 3.29Å; M194-T198 PolarHBondContact O-N 2.98Å; M194-T198 PolarHBondContact O-OG1 2.83Å; L195-T198 PolarHBondContact O-N 3.49Å; K196-T198 VanDerWaalsContact C-N 3.28Å; K196-T198 PolarHBondContact O-N 2.61Å; T198-A200 VanDerWaalsContact C-N 3.32Å; T198-A200 PolarHBondContact O-N 3.48Å; T198-K201 WeakPolarHBondContact O-CA 3.47Å; T198-K201 VanDerWaalsContact O-CB 3.31Å; T198-K201 WeakPolarHBondContact O-CB 3.24Å; T198-K201 PolarHBondContact O-N 3.1Å; T198-V202 WeakPolarHBondContact O-CG2 3.3Å; T198-V202 PolarHBondContact O-N 3.05Å |
| 199 | A | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -53.9 | -46.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L154 F188 F189 L195 K201 V202 L203 | L154-A199 HydrophobicContact CD1-CB 4.44Å; F188-A199 HydrophobicContact CB-CB 3.58Å; F189-A199 HydrophobicContact CD2-CB 4.3Å; F189-A199 HydrophobicContact CE2-CB 4.18Å; L195-A199 WeakPolarHBondContact O-CB 3.48Å; L195-A199 PolarHBondContact O-N 3.24Å; A199-K201 PolarHBondContact O-N 2.92Å; A199-V202 PolarHBondContact O-N 3.16Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.31Å; A199-L203 PolarHBondContact O-N 2.9Å |
| 200 | A | 95.3 | Very high | 89 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -34.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F189 K196 T198 S204 A244 I247 F248 | F189-A200 HydrophobicContact CE1-CB 4.38Å; F189-A200 HydrophobicContact CE2-CB 4.4Å; F189-A200 HydrophobicContact CZ-CB 3.73Å; K196-A200 WeakPolarHBondContact O-CB 3.49Å; K196-A200 PolarHBondContact O-N 2.77Å; T198-A200 VanDerWaalsContact C-N 3.32Å; T198-A200 PolarHBondContact O-N 3.48Å; A200-S204 WeakPolarHBondContact O-CB 3.34Å; A200-S204 PolarHBondContact O-N 3.35Å; A200-S204 PolarHBondContact O-OG 2.91Å; A200-A244 HydrophobicContact CB-CB 4.07Å; A200-A244 WeakPolarHBondContact CB-O 2.93Å; A200-I247 HydrophobicContact CB-CB 4.45Å; A200-I247 HydrophobicContact CB-CG2 4.28Å; A200-F248 HydrophobicContact CB-CB 4.17Å |
| 201 | K | 93 | Very high | 88.9 | Confident | 47 Ų | 47 | 23.5 Ų | 23.5 | 20% | 0.204 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.1 | -41 | 176.3 | -61.9 | 162.1 | -165 | 148.9 | 0 | 111.2 | N158 E197 T198 A199 S204 S205 I247 | N158-K201 PolarHBondContact OD1-O 3.2Å; E197-K201 WeakPolarHBondContact O-CD 3.39Å; E197-K201 VanDerWaalsContact O-CE 3.24Å; E197-K201 WeakPolarHBondContact O-CE 3.41Å; E197-K201 WeakPolarHBondContact O-CG 3.28Å; E197-K201 PolarHBondContact O-N 3.24Å; E197-K201 IonicContact OE2-NZ 3.95Å; T198-K201 WeakPolarHBondContact O-CA 3.47Å; T198-K201 VanDerWaalsContact O-CB 3.31Å; T198-K201 WeakPolarHBondContact O-CB 3.24Å; T198-K201 PolarHBondContact O-N 3.1Å; A199-K201 PolarHBondContact O-N 2.92Å; K201-S204 PolarHBondContact O-OG 2.94Å; K201-S205 PolarHBondContact O-N 3.31Å; K201-S205 PolarHBondContact O-OG 3.01Å; K201-I247 HydrophobicContact CG-CG2 3.89Å |
| 202 | V | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.4 | -52.5 | 176.3 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | L154 L157 N158 L185 T198 A199 S204 S205 F206 | L154-V202 HydrophobicContact CB-CG2 4.12Å; L154-V202 HydrophobicContact CD2-CG2 4.11Å; L154-V202 VanDerWaalsContact O-CG2 3.24Å; L154-V202 WeakPolarHBondContact O-CG2 3.22Å; L157-V202 HydrophobicContact CB-CG1 4.34Å; L157-V202 HydrophobicContact CD2-CG1 3.99Å; L157-V202 HydrophobicContact CG-CG1 3.83Å; N158-V202 HydrophobicContact CB-CB 4.34Å; N158-V202 HydrophobicContact CB-CG1 4.28Å; N158-V202 HydrophobicContact CB-CG2 3.9Å; L185-V202 HydrophobicContact CD1-CB 4.32Å; L185-V202 HydrophobicContact CD1-CG1 3.98Å; L185-V202 HydrophobicContact CD2-CB 3.73Å; L185-V202 HydrophobicContact CD2-CG1 3.79Å; L185-V202 HydrophobicContact CD2-CG2 4.3Å; T198-V202 WeakPolarHBondContact O-CG2 3.3Å; T198-V202 PolarHBondContact O-N 3.05Å; A199-V202 PolarHBondContact O-N 3.16Å; V202-S204 VanDerWaalsContact C-N 3.33Å; V202-S204 PolarHBondContact O-N 3.35Å; V202-S205 CarbonylContact O-C 3.59Å; V202-S205 WeakPolarHBondContact O-CA 3.18Å; V202-S205 WeakPolarHBondContact O-CB 3.32Å; V202-S205 PolarHBondContact O-N 3.04Å; V202-F206 PolarHBondContact O-N 3.04Å |
| 203 | L | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -52.7 | -49.6 | 178.5 | -178.1 | 63.4 | 0 | 0 | 0 | 111.2 | L182 L185 F189 A199 S205 F206 V207 W245 F248 | L182-L203 HydrophobicContact CD1-CD1 3.44Å; L182-L203 VanDerWaalsContact CD1-CD1 3.44Å; L185-L203 HydrophobicContact CB-CD1 4.35Å; L185-L203 HydrophobicContact CD1-CB 4.33Å; L185-L203 HydrophobicContact CD1-CD1 4.33Å; F189-L203 HydrophobicContact CE2-CD2 3.93Å; F189-L203 HydrophobicContact CZ-CD2 3.98Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.31Å; A199-L203 PolarHBondContact O-N 2.9Å; L203-S205 PolarHBondContact O-N 3.29Å; L203-F206 PolarHBondContact O-N 2.95Å; L203-V207 HydrophobicContact CD1-CG1 3.88Å; L203-V207 HydrophobicContact CG-CG1 4.45Å; L203-V207 WeakPolarHBondContact O-CG2 3.5Å; L203-V207 PolarHBondContact O-N 3.06Å; L203-W245 HydrophobicContact CD2-CH2 4.45Å; L203-W245 HydrophobicContact CD2-CZ3 4.2Å; L203-F248 HydrophobicContact CB-CD2 4.29Å; L203-F248 HydrophobicContact CD2-CD2 3.89Å; L203-F248 HydrophobicContact CD2-CE2 3.97Å; L203-F248 HydrophobicContact CG-CD2 3.88Å; L203-F248 HydrophobicContact CG-CE2 3.78Å |
| 204 | S | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.3 | -33.8 | 176.9 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | A200 K201 V202 T208 R251 | A200-S204 WeakPolarHBondContact O-CB 3.34Å; A200-S204 PolarHBondContact O-N 3.35Å; A200-S204 PolarHBondContact O-OG 2.91Å; K201-S204 PolarHBondContact O-OG 2.94Å; V202-S204 VanDerWaalsContact C-N 3.33Å; V202-S204 PolarHBondContact O-N 3.35Å; S204-T208 WeakPolarHBondContact O-CB 3.38Å; S204-T208 WeakPolarHBondContact O-CG2 3.39Å; S204-T208 PolarHBondContact O-N 3.13Å; S204-T208 PolarHBondContact O-OG1 2.91Å; S204-R251 WeakPolarHBondContact OG-CB 3.46Å |
| 205 | S | 90 | Very high | 89.9 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 4% | 0.035 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -75.6 | -37 | 178.8 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | N158 K201 V202 L203 T208 K255 | N158-S205 PolarHBondContact OD1-OG 3.17Å; K201-S205 PolarHBondContact O-N 3.31Å; K201-S205 PolarHBondContact O-OG 3.01Å; V202-S205 CarbonylContact O-C 3.59Å; V202-S205 WeakPolarHBondContact O-CA 3.18Å; V202-S205 WeakPolarHBondContact O-CB 3.32Å; V202-S205 PolarHBondContact O-N 3.04Å; L203-S205 PolarHBondContact O-N 3.29Å; S205-T208 PolarHBondContact O-OG1 3.15Å; S205-K255 PolarHBondContact OG-NZ 3.21Å |
| 206 | F | 89.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.1 | -51 | 178 | -179.1 | -123.8 | 0 | 0 | 0 | 112 | L167 G178 L181 L182 L185 V202 L203 T208 R209 M212 | L167-F206 HydrophobicContact CD1-CD2 4.03Å; L167-F206 HydrophobicContact CD1-CE2 3.75Å; G178-F206 WeakPolarHBondContact O-CZ 3.44Å; L181-F206 HydrophobicContact CB-CE1 4.49Å; L181-F206 HydrophobicContact CB-CZ 4.31Å; L181-F206 HydrophobicContact CD2-CD1 4.41Å; L181-F206 HydrophobicContact CD2-CD2 3.72Å; L181-F206 HydrophobicContact CD2-CE1 4.13Å; L181-F206 HydrophobicContact CD2-CE2 3.44Å; L181-F206 VanDerWaalsContact CD2-CE2 3.44Å; L181-F206 HydrophobicContact CD2-CG 4.21Å; L181-F206 HydrophobicContact CD2-CZ 3.65Å; L181-F206 HydrophobicContact CG-CD1 4.46Å; L181-F206 HydrophobicContact CG-CE1 4.15Å; L181-F206 HydrophobicContact CG-CE2 4.33Å; L181-F206 HydrophobicContact CG-CZ 4.08Å; L182-F206 HydrophobicContact CB-CE1 4.19Å; L185-F206 HydrophobicContact CD1-CB 4.48Å; L185-F206 HydrophobicContact CD1-CD1 4.33Å; V202-F206 PolarHBondContact O-N 3.04Å; L203-F206 PolarHBondContact O-N 2.95Å; F206-T208 PolarHBondContact O-N 2.66Å; F206-R209 WeakPolarHBondContact O-CB 3.24Å; F206-R209 WeakPolarHBondContact O-CD 3.36Å; F206-R209 WeakPolarHBondContact O-CG 3.32Å; F206-R209 PolarHBondContact O-N 3.06Å; F206-M212 HydrophobicContact CD1-CE 4.21Å; F206-M212 HydrophobicContact CE1-CE 3.42Å; F206-M212 VanDerWaalsContact CE1-CE 3.42Å; F206-M212 HydrophobicContact CE2-CE 4.04Å; F206-M212 HydrophobicContact CE2-CG 4.34Å; F206-M212 HydrophobicContact CE2-SD 4.29Å; F206-M212 HydrophobicContact CZ-CE 3.31Å; F206-M212 HydrophobicContact CZ-SD 4.04Å; F206-M212 WeakPolarHBondContact O-CG 3.47Å |
| 207 | V | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.5 | -24.4 | -177.1 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | L203 R209 M216 Q219 F248 | L203-V207 HydrophobicContact CD1-CG1 3.88Å; L203-V207 HydrophobicContact CG-CG1 4.45Å; L203-V207 WeakPolarHBondContact O-CG2 3.5Å; L203-V207 PolarHBondContact O-N 3.06Å; V207-R209 PolarHBondContact O-N 3.35Å; V207-M216 HydrophobicContact CB-CB 3.88Å; V207-M216 HydrophobicContact CB-CG 4.32Å; V207-M216 HydrophobicContact CG2-CB 4.02Å; V207-M216 HydrophobicContact CG2-CG 3.88Å; V207-Q219 HydrophobicContact CG1-CG 4.3Å; V207-F248 HydrophobicContact CG2-CE2 3.66Å; V207-F248 HydrophobicContact CG2-CZ 4.02Å |
| 208 | T | 90.6 | Very high | 89.8 | Confident | 19 Ų | 19 | 25.8 Ų | 25.8 | 12% | 0.117 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 1.9 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | S204 S205 F206 M216 C252 K255 | S204-T208 WeakPolarHBondContact O-CB 3.38Å; S204-T208 WeakPolarHBondContact O-CG2 3.39Å; S204-T208 PolarHBondContact O-N 3.13Å; S204-T208 PolarHBondContact O-OG1 2.91Å; S205-T208 PolarHBondContact O-OG1 3.15Å; F206-T208 PolarHBondContact O-N 2.66Å; T208-M216 HydrophobicContact CG2-SD 4.18Å; T208-C252 HydrophobicContact CG2-CB 4.14Å; T208-K255 HydrophobicContact CG2-CB 4.29Å |
| 209 | R | 86.5 | Confident | 89.9 | Confident | 23 Ų | 23 | 26.2 Ų | 26.2 | 9% | 0.087 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -71.6 | 149.9 | 175.9 | -62.2 | 166.5 | 50.3 | 93.2 | 6.7 | 110.5 | C161 T163 F165 F206 V207 D211 M212 | C161-R209 PolarHBondContact O-NH1 2.96Å; T163-R209 PolarHBondContact O-NH1 3.34Å; F165-R209 PolarHBondContact O-NH2 2.76Å; F206-R209 WeakPolarHBondContact O-CB 3.24Å; F206-R209 WeakPolarHBondContact O-CD 3.36Å; F206-R209 WeakPolarHBondContact O-CG 3.32Å; F206-R209 PolarHBondContact O-N 3.06Å; V207-R209 PolarHBondContact O-N 3.35Å; R209-D211 WeakPolarHBondContact CB-OD1 2.94Å; R209-D211 IonicContact CZ-OD1 3.49Å; R209-D211 IonicContact CZ-OD2 3.56Å; R209-D211 IonicContact NE-OD1 3.06Å; R209-D211 PolarHBondContact NE-OD1 2.99Å; R209-D211 IonicContact NE-OD2 3.57Å; R209-D211 IonicContact NH2-OD1 2.9Å; R209-D211 PolarHBondContact NH2-OD1 3.15Å; R209-D211 IonicContact NH2-OD2 3.62Å; R209-D211 PolarHBondContact NH2-OD2 2.86Å; R209-D211 PolarHBondContact O-N 2.9Å; R209-D211 VanDerWaalsContact O-N 3.14Å; R209-M212 HydrophobicContact CB-CB 4.34Å; R209-M212 HydrophobicContact CB-CG 4.13Å; R209-M212 PolarHBondContact O-N 3.25Å |
| 210 | P | 82.8 | Confident | 89.9 | Confident | 87 Ų | 87 | 26.2 Ų | 26.2 | 57% | 0.565 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.2 | 179.4 | -27.2 | 36.1 | 0 | 0 | 0 | 115 | ||
| 211 | D | 82.1 | Confident | 89.9 | Confident | 44 Ų | 44 | 28.8 Ų | 28.8 | 24% | 0.235 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.3 | 179.7 | 54.4 | -22.2 | 0 | 0 | 0 | 113.8 | L167 Y168 R209 | L167-D211 PolarHBondContact N-OD2 3.37Å; Y168-D211 HydrophobicContact CD1-CB 4.36Å; R209-D211 WeakPolarHBondContact CB-OD1 2.94Å; R209-D211 IonicContact CZ-OD1 3.49Å; R209-D211 IonicContact CZ-OD2 3.56Å; R209-D211 IonicContact NE-OD1 3.06Å; R209-D211 PolarHBondContact NE-OD1 2.99Å; R209-D211 IonicContact NE-OD2 3.57Å; R209-D211 IonicContact NH2-OD1 2.9Å; R209-D211 PolarHBondContact NH2-OD1 3.15Å; R209-D211 IonicContact NH2-OD2 3.62Å; R209-D211 PolarHBondContact NH2-OD2 2.86Å; R209-D211 PolarHBondContact O-N 2.9Å; R209-D211 VanDerWaalsContact O-N 3.14Å |
| 212 | M | 85.8 | Confident | 89.9 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | trans | -119.2 | 15.9 | -172.1 | -60 | -60.3 | -63.8 | 0 | 0 | 113.7 | F206 R209 S214 Y215 M216 | F206-M212 HydrophobicContact CD1-CE 4.21Å; F206-M212 HydrophobicContact CE1-CE 3.42Å; F206-M212 VanDerWaalsContact CE1-CE 3.42Å; F206-M212 HydrophobicContact CE2-CE 4.04Å; F206-M212 HydrophobicContact CE2-CG 4.34Å; F206-M212 HydrophobicContact CE2-SD 4.29Å; F206-M212 HydrophobicContact CZ-CE 3.31Å; F206-M212 HydrophobicContact CZ-SD 4.04Å; F206-M212 WeakPolarHBondContact O-CG 3.47Å; R209-M212 HydrophobicContact CB-CB 4.34Å; R209-M212 HydrophobicContact CB-CG 4.13Å; R209-M212 PolarHBondContact O-N 3.25Å; M212-S214 VanDerWaalsContact C-N 3.32Å; M212-S214 PolarHBondContact O-N 3.41Å; M212-Y215 HydrophobicContact CE-CD2 3.32Å; M212-Y215 HydrophobicContact CE-CE2 3.88Å; M212-Y215 HydrophobicContact CE-CG 3.84Å; M212-Y215 PolarHBondContact O-N 3.44Å; M212-Y215 HydrophobicContact SD-CD2 4.09Å; M212-Y215 HydrophobicContact SD-CE2 4.45Å; M212-M216 PolarHBondContact O-N 3.39Å | ||
| 213 | V | 84.9 | Confident | 90 | Very high | 32 Ų | 32 | 29 Ų | 29 | 19% | 0.194 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | -174.2 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | M216 I217 D260 | V213-M216 HydrophobicContact CG1-CE 4.27Å; V213-M216 WeakPolarHBondContact O-CB 2.89Å; V213-M216 PolarHBondContact O-N 2.89Å; V213-I217 HydrophobicContact CG1-CD1 4.41Å; V213-I217 WeakPolarHBondContact O-CG1 3.39Å; V213-I217 PolarHBondContact O-N 2.9Å; V213-I217 VanDerWaalsContact O-N 3.15Å; V213-D260 HydrophobicContact CG1-CB 4.28Å |
| 214 | S | 86.6 | Confident | 90 | Very high | 68 Ų | 68 | 29.5 Ų | 29.5 | 48% | 0.476 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.3 | -50.9 | 175.9 | 50 | 0 | 0 | 0 | 0 | 111.6 | M212 M216 I217 E218 | M212-S214 VanDerWaalsContact C-N 3.32Å; M212-S214 PolarHBondContact O-N 3.41Å; S214-M216 VanDerWaalsContact C-N 3.28Å; S214-M216 PolarHBondContact O-N 3.24Å; S214-I217 WeakPolarHBondContact O-CB 3.3Å; S214-I217 PolarHBondContact O-N 2.92Å; S214-I217 VanDerWaalsContact O-N 3.09Å; S214-E218 PolarHBondContact O-N 3.06Å; S214-E218 VanDerWaalsContact O-N 3.1Å |
| 215 | Y | 88.1 | Confident | 89.9 | Confident | 47 Ų | 47 | 36.4 Ų | 36.4 | 18% | 0.184 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -34.5 | 176.3 | -65.5 | -74.5 | 0 | 0 | 0 | 112.1 | E179 L182 M212 I217 E218 Q219 | E179-Y215 HydrophobicContact CG-CE1 4.32Å; E179-Y215 WeakPolarHBondContact CG-OH 3.44Å; E179-Y215 PolarHBondContact OE1-OH 3.49Å; L182-Y215 HydrophobicContact CD2-CD1 3.42Å; L182-Y215 VanDerWaalsContact CD2-CD1 3.42Å; L182-Y215 HydrophobicContact CD2-CE1 3.93Å; L182-Y215 HydrophobicContact CD2-CG 4.17Å; M212-Y215 HydrophobicContact CE-CD2 3.32Å; M212-Y215 HydrophobicContact CE-CE2 3.88Å; M212-Y215 HydrophobicContact CE-CG 3.84Å; M212-Y215 PolarHBondContact O-N 3.44Å; M212-Y215 HydrophobicContact SD-CD2 4.09Å; M212-Y215 HydrophobicContact SD-CE2 4.45Å; Y215-I217 VanDerWaalsContact C-N 3.3Å; Y215-I217 PolarHBondContact O-N 3.45Å; Y215-E218 PolarHBondContact O-N 3.15Å; Y215-Q219 WeakPolarHBondContact O-CB 3.45Å; Y215-Q219 VanDerWaalsContact O-CG 3.24Å; Y215-Q219 WeakPolarHBondContact O-CG 3.39Å; Y215-Q219 PolarHBondContact O-N 2.99Å |
| 216 | M | 90.9 | Very high | 90 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 173.5 | -173.2 | -180 | 62.9 | 0 | 0 | 111.9 | V207 T208 M212 V213 S214 Q219 F220 D260 L261 | V207-M216 HydrophobicContact CB-CB 3.88Å; V207-M216 HydrophobicContact CB-CG 4.32Å; V207-M216 HydrophobicContact CG2-CB 4.02Å; V207-M216 HydrophobicContact CG2-CG 3.88Å; T208-M216 HydrophobicContact CG2-SD 4.18Å; M212-M216 PolarHBondContact O-N 3.39Å; V213-M216 HydrophobicContact CG1-CE 4.27Å; V213-M216 WeakPolarHBondContact O-CB 2.89Å; V213-M216 PolarHBondContact O-N 2.89Å; S214-M216 VanDerWaalsContact C-N 3.28Å; S214-M216 PolarHBondContact O-N 3.24Å; M216-Q219 PolarHBondContact O-N 2.87Å; M216-F220 HydrophobicContact CE-CE2 4.13Å; M216-F220 HydrophobicContact CE-CZ 4.44Å; M216-F220 HydrophobicContact CG-CD2 4.41Å; M216-F220 HydrophobicContact CG-CE1 4.1Å; M216-F220 HydrophobicContact CG-CE2 3.8Å; M216-F220 HydrophobicContact CG-CZ 3.62Å; M216-F220 VanDerWaalsContact O-CG 3.31Å; M216-F220 WeakPolarHBondContact O-CG 3.38Å; M216-F220 PolarHBondContact O-N 3.43Å; M216-F220 HydrophobicContact SD-CE2 4.12Å; M216-F220 HydrophobicContact SD-CZ 3.84Å; M216-D260 HydrophobicContact CE-CB 3.91Å; M216-L261 HydrophobicContact CE-CD2 4.07Å; M216-L261 HydrophobicContact SD-CD2 4.08Å |
| 217 | I | 89.8 | Confident | 90.2 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.2 | -46.8 | 179 | -63.2 | 167.3 | 0 | 0 | 0 | 110.1 | V213 S214 Y215 Q219 F220 E221 | V213-I217 HydrophobicContact CG1-CD1 4.41Å; V213-I217 WeakPolarHBondContact O-CG1 3.39Å; V213-I217 PolarHBondContact O-N 2.9Å; V213-I217 VanDerWaalsContact O-N 3.15Å; S214-I217 WeakPolarHBondContact O-CB 3.3Å; S214-I217 PolarHBondContact O-N 2.92Å; S214-I217 VanDerWaalsContact O-N 3.09Å; Y215-I217 VanDerWaalsContact C-N 3.3Å; Y215-I217 PolarHBondContact O-N 3.45Å; I217-Q219 VanDerWaalsContact C-N 3.32Å; I217-Q219 PolarHBondContact O-N 3.12Å; I217-F220 WeakPolarHBondContact O-CB 3.29Å; I217-F220 PolarHBondContact O-N 3.37Å; I217-F220 VanDerWaalsContact O-N 3.09Å; I217-E221 PolarHBondContact O-N 2.99Å; I217-E221 VanDerWaalsContact O-N 3.13Å |
| 218 | E | 91.3 | Very high | 90.1 | Very high | 104 Ų | 104 | 40.7 Ų | 40.7 | 49% | 0.486 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 175.6 | -68.4 | 175.5 | -178.1 | 0 | 0 | 112 | S214 Y215 F220 E221 T222 | S214-E218 PolarHBondContact O-N 3.06Å; S214-E218 VanDerWaalsContact O-N 3.1Å; Y215-E218 PolarHBondContact O-N 3.15Å; E218-F220 VanDerWaalsContact C-N 3.29Å; E218-F220 PolarHBondContact O-N 2.8Å; E218-E221 WeakPolarHBondContact O-CB 3.45Å; E218-E221 PolarHBondContact O-N 2.74Å; E218-E221 VanDerWaalsContact O-N 3.15Å; E218-T222 PolarHBondContact O-N 2.98Å; E218-T222 PolarHBondContact O-OG1 2.71Å |
| 219 | Q | 93.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.6 | -24.3 | 178.1 | -64.4 | -46.2 | -53.3 | 0 | 0 | 112.8 | L182 V207 Y215 M216 I217 S223 F248 | L182-Q219 HydrophobicContact CD1-CG 4.16Å; V207-Q219 HydrophobicContact CG1-CG 4.3Å; Y215-Q219 WeakPolarHBondContact O-CB 3.45Å; Y215-Q219 VanDerWaalsContact O-CG 3.24Å; Y215-Q219 WeakPolarHBondContact O-CG 3.39Å; Y215-Q219 PolarHBondContact O-N 2.99Å; M216-Q219 PolarHBondContact O-N 2.87Å; I217-Q219 VanDerWaalsContact C-N 3.32Å; I217-Q219 PolarHBondContact O-N 3.12Å; Q219-S223 WeakPolarHBondContact O-CB 3.48Å; Q219-S223 PolarHBondContact O-N 2.72Å; Q219-S223 PolarHBondContact O-OG 3Å; Q219-F248 HydrophobicContact CB-CE1 4.15Å; Q219-F248 HydrophobicContact CB-CE2 4.38Å; Q219-F248 HydrophobicContact CB-CZ 3.59Å |
| 220 | F | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 166.9 | -69.6 | -25.6 | 0 | 0 | 0 | 111.2 | M216 I217 E218 T222 S223 L224 F248 L249 C252 L261 I268 | M216-F220 HydrophobicContact CE-CE2 4.13Å; M216-F220 HydrophobicContact CE-CZ 4.44Å; M216-F220 HydrophobicContact CG-CD2 4.41Å; M216-F220 HydrophobicContact CG-CE1 4.1Å; M216-F220 HydrophobicContact CG-CE2 3.8Å; M216-F220 HydrophobicContact CG-CZ 3.62Å; M216-F220 VanDerWaalsContact O-CG 3.31Å; M216-F220 WeakPolarHBondContact O-CG 3.38Å; M216-F220 PolarHBondContact O-N 3.43Å; M216-F220 HydrophobicContact SD-CE2 4.12Å; M216-F220 HydrophobicContact SD-CZ 3.84Å; I217-F220 WeakPolarHBondContact O-CB 3.29Å; I217-F220 PolarHBondContact O-N 3.37Å; I217-F220 VanDerWaalsContact O-N 3.09Å; E218-F220 VanDerWaalsContact C-N 3.29Å; E218-F220 PolarHBondContact O-N 2.8Å; F220-T222 PolarHBondContact O-N 2.89Å; F220-S223 WeakPolarHBondContact CA-OG 3.06Å; F220-S223 PolarHBondContact O-N 2.89Å; F220-S223 PolarHBondContact O-OG 3.04Å; F220-L224 WeakPolarHBondContact O-CG 3.34Å; F220-L224 PolarHBondContact O-N 3.18Å; F220-F248 AromaticContact CD1-CE1 3.91Å; F220-F248 HydrophobicContact CD1-CE1 3.91Å; F220-F248 HydrophobicContact CD1-CZ 4.28Å; F220-F248 HydrophobicContact CE1-CE1 4.22Å; F220-F248 HydrophobicContact CE1-CZ 4.36Å; F220-L249 HydrophobicContact CD1-CD2 3.64Å; F220-L249 HydrophobicContact CE1-CD2 3.93Å; F220-C252 HydrophobicContact CE1-CB 3.66Å; F220-C252 HydrophobicContact CZ-CB 3.91Å; F220-L261 HydrophobicContact CE2-CD2 3.93Å; F220-L261 HydrophobicContact CZ-CD2 3.73Å; F220-I268 HydrophobicContact CB-CD1 4.21Å; F220-I268 HydrophobicContact CD1-CD1 4.33Å; F220-I268 HydrophobicContact CD2-CD1 3.75Å; F220-I268 HydrophobicContact CE2-CD1 4.13Å; F220-I268 HydrophobicContact CG-CD1 3.86Å |
| 221 | E | 94.3 | Very high | 89.9 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 175.8 | -58.9 | -54.8 | 144.5 | 0 | 0 | 111.7 | I217 E218 S223 L224 K225 R267 | I217-E221 PolarHBondContact O-N 2.99Å; I217-E221 VanDerWaalsContact O-N 3.13Å; E218-E221 WeakPolarHBondContact O-CB 3.45Å; E218-E221 PolarHBondContact O-N 2.74Å; E218-E221 VanDerWaalsContact O-N 3.15Å; E221-S223 VanDerWaalsContact C-N 3.35Å; E221-S223 PolarHBondContact O-N 3.26Å; E221-L224 PolarHBondContact O-N 3.43Å; E221-K225 WeakPolarHBondContact O-CG 3.25Å; E221-K225 PolarHBondContact O-N 2.97Å; E221-R267 IonicContact OE1-CZ 3.46Å; E221-R267 IonicContact OE1-NH1 3.65Å; E221-R267 PolarHBondContact OE1-NH1 3.41Å; E221-R267 IonicContact OE1-NH2 2.79Å; E221-R267 PolarHBondContact OE1-NH2 3.23Å; E221-R267 IonicContact OE2-NH1 3.37Å |
| 222 | T | 94.3 | Very high | 89.5 | Confident | 52 Ų | 52 | 44 Ų | 44 | 32% | 0.319 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | E218 F220 L224 K225 E226 W245 | E218-T222 PolarHBondContact O-N 2.98Å; E218-T222 PolarHBondContact O-OG1 2.71Å; F220-T222 PolarHBondContact O-N 2.89Å; T222-L224 VanDerWaalsContact C-N 3.35Å; T222-L224 PolarHBondContact O-N 3.36Å; T222-K225 PolarHBondContact O-N 3.09Å; T222-E226 HydrophobicContact CG2-CG 4.32Å; T222-E226 WeakPolarHBondContact O-CB 3.25Å; T222-E226 WeakPolarHBondContact O-CG 3.47Å; T222-E226 PolarHBondContact O-N 3.2Å; T222-W245 HydrophobicContact CG2-CH2 3.85Å; T222-W245 HydrophobicContact CG2-CZ2 3.9Å |
| 223 | S | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | -179.4 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | Q219 F220 E221 I227 L249 | Q219-S223 WeakPolarHBondContact O-CB 3.48Å; Q219-S223 PolarHBondContact O-N 2.72Å; Q219-S223 PolarHBondContact O-OG 3Å; F220-S223 WeakPolarHBondContact CA-OG 3.06Å; F220-S223 PolarHBondContact O-N 2.89Å; F220-S223 PolarHBondContact O-OG 3.04Å; E221-S223 VanDerWaalsContact C-N 3.35Å; E221-S223 PolarHBondContact O-N 3.26Å; S223-I227 VanDerWaalsContact O-CB 3.23Å; S223-I227 WeakPolarHBondContact O-CB 3.45Å; S223-I227 WeakPolarHBondContact O-CD1 3.23Å; S223-I227 WeakPolarHBondContact O-CG1 3.28Å; S223-I227 PolarHBondContact O-N 3.32Å; S223-L249 WeakPolarHBondContact OG-CD2 3.3Å |
| 224 | L | 93.9 | Very high | 88.5 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 178 | -70.3 | 168.9 | 0 | 0 | 0 | 111 | F220 E221 T222 I227 A228 I268 L272 | F220-L224 WeakPolarHBondContact O-CG 3.34Å; F220-L224 PolarHBondContact O-N 3.18Å; E221-L224 PolarHBondContact O-N 3.43Å; T222-L224 VanDerWaalsContact C-N 3.35Å; T222-L224 PolarHBondContact O-N 3.36Å; L224-I227 PolarHBondContact O-N 3.35Å; L224-A228 WeakPolarHBondContact O-CB 3.41Å; L224-A228 PolarHBondContact O-N 3.45Å; L224-I268 HydrophobicContact CD1-CG1 4.16Å; L224-I268 HydrophobicContact CD2-CG2 4.37Å; L224-L272 HydrophobicContact CD2-CD1 4.38Å; L224-L272 HydrophobicContact CD2-CD2 3.8Å; L224-L272 HydrophobicContact CD2-CG 3.74Å |
| 225 | K | 93.1 | Very high | 88.3 | Confident | 145 Ų | 145 | 49 Ų | 49 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | 176.2 | -71.8 | 173.9 | -176.6 | 174.5 | 0 | 111.9 | E221 T222 A228 K229 | E221-K225 WeakPolarHBondContact O-CG 3.25Å; E221-K225 PolarHBondContact O-N 2.97Å; T222-K225 PolarHBondContact O-N 3.09Å; K225-A228 PolarHBondContact O-N 2.84Å; K225-K229 VanDerWaalsContact O-CB 3.3Å; K225-K229 WeakPolarHBondContact O-CB 3.29Å; K225-K229 PolarHBondContact O-N 3.25Å |
| 226 | E | 92.5 | Very high | 88.1 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 179 | -73.9 | -59.2 | 136 | 0 | 0 | 111.9 | T222 A228 K229 L230 W245 | T222-E226 HydrophobicContact CG2-CG 4.32Å; T222-E226 WeakPolarHBondContact O-CB 3.25Å; T222-E226 WeakPolarHBondContact O-CG 3.47Å; T222-E226 PolarHBondContact O-N 3.2Å; E226-A228 VanDerWaalsContact C-N 3.35Å; E226-A228 PolarHBondContact O-N 3.28Å; E226-K229 PolarHBondContact O-N 3.2Å; E226-K229 IonicContact OE1-NZ 3.13Å; E226-K229 IonicContact OE2-NZ 3.52Å; E226-L230 HydrophobicContact CB-CD1 4.4Å; E226-L230 VanDerWaalsContact O-CB 3.27Å; E226-L230 WeakPolarHBondContact O-CB 3.38Å; E226-L230 WeakPolarHBondContact O-CD1 3.42Å; E226-L230 WeakPolarHBondContact O-CG 3.47Å; E226-L230 PolarHBondContact O-N 2.96Å; E226-W245 HydrophobicContact CB-CG 4.48Å; E226-W245 HydrophobicContact CG-CZ2 4.49Å |
| 227 | I | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.2 | -72.8 | 166.8 | 0 | 0 | 0 | 110.6 | S223 L224 Q231 W245 L249 L272 L275 W280 | S223-I227 VanDerWaalsContact O-CB 3.23Å; S223-I227 WeakPolarHBondContact O-CB 3.45Å; S223-I227 WeakPolarHBondContact O-CD1 3.23Å; S223-I227 WeakPolarHBondContact O-CG1 3.28Å; S223-I227 PolarHBondContact O-N 3.32Å; L224-I227 PolarHBondContact O-N 3.35Å; I227-Q231 WeakPolarHBondContact O-CG 3.35Å; I227-Q231 PolarHBondContact O-N 2.99Å; I227-W245 HydrophobicContact CD1-CB 3.98Å; I227-W245 HydrophobicContact CG1-CB 3.8Å; I227-L249 HydrophobicContact CD1-CD1 3.61Å; I227-L272 HydrophobicContact CB-CD2 4.5Å; I227-L272 HydrophobicContact CD1-CD2 4.18Å; I227-L272 HydrophobicContact CG2-CD2 3.87Å; I227-L275 HydrophobicContact CG2-CD1 4.33Å; I227-W280 HydrophobicContact CG2-CH2 3.91Å; I227-W280 HydrophobicContact CG2-CZ2 3.96Å |
| 228 | A | 89.8 | Confident | 87.6 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L224 K225 E226 L275 | L224-A228 WeakPolarHBondContact O-CB 3.41Å; L224-A228 PolarHBondContact O-N 3.45Å; K225-A228 PolarHBondContact O-N 2.84Å; E226-A228 VanDerWaalsContact C-N 3.35Å; E226-A228 PolarHBondContact O-N 3.28Å; A228-L275 HydrophobicContact CB-CD1 4.48Å; A228-L275 HydrophobicContact CB-CD2 3.76Å |
| 229 | K | 89.1 | Confident | 87.4 | Confident | 144 Ų | 144 | 52.7 Ų | 52.7 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.4 | -43.7 | 178.3 | 176.7 | -173.8 | 168.3 | -163.2 | 0 | 113.2 | K225 E226 Q231 | K225-K229 VanDerWaalsContact O-CB 3.3Å; K225-K229 WeakPolarHBondContact O-CB 3.29Å; K225-K229 PolarHBondContact O-N 3.25Å; E226-K229 PolarHBondContact O-N 3.2Å; E226-K229 IonicContact OE1-NZ 3.13Å; E226-K229 IonicContact OE2-NZ 3.52Å; K229-Q231 PolarHBondContact O-N 3.39Å |
| 230 | L | 88.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.5 | -176 | -61.7 | 169 | 0 | 0 | 0 | 112.5 | E226 T233 D238 T241 L242 | E226-L230 HydrophobicContact CB-CD1 4.4Å; E226-L230 VanDerWaalsContact O-CB 3.27Å; E226-L230 WeakPolarHBondContact O-CB 3.38Å; E226-L230 WeakPolarHBondContact O-CD1 3.42Å; E226-L230 WeakPolarHBondContact O-CG 3.47Å; E226-L230 PolarHBondContact O-N 2.96Å; L230-T233 PolarHBondContact O-OG1 2.71Å; L230-D238 HydrophobicContact CD2-CB 3.73Å; L230-D238 WeakPolarHBondContact CD2-OD1 3.3Å; L230-T241 HydrophobicContact CD1-CG2 3.65Å; L230-L242 HydrophobicContact CB-CB 4.14Å; L230-L242 HydrophobicContact CB-CD1 4.17Å; L230-L242 HydrophobicContact CD1-CB 4.33Å |
| 231 | Q | 77.3 | Confident | 87 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 136.5 | 174 | -87.1 | 176.6 | 29.9 | 0 | 0 | 111.9 | I227 K229 T233 L242 S277 C278 | I227-Q231 WeakPolarHBondContact O-CG 3.35Å; I227-Q231 PolarHBondContact O-N 2.99Å; K229-Q231 PolarHBondContact O-N 3.39Å; Q231-T233 VanDerWaalsContact C-N 3.27Å; Q231-T233 PolarHBondContact O-N 3.33Å; Q231-L242 HydrophobicContact CG-CD1 4.08Å; Q231-S277 PolarHBondContact OE1-OG 3.11Å; Q231-C278 PolarHBondContact NE2-SG 3.38Å; Q231-C278 PolarHBondContact OE1-SG 3.1Å |
| 232 | G | 74.2 | Confident | 86.8 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 72% | 0.722 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 233 | T | 76.7 | Confident | 86.7 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | trans | -68.2 | 140.8 | 174.9 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | L230 Q231 D238 | L230-T233 PolarHBondContact O-OG1 2.71Å; Q231-T233 VanDerWaalsContact C-N 3.27Å; Q231-T233 PolarHBondContact O-N 3.33Å; T233-D238 WeakPolarHBondContact CB-OD2 3.48Å; T233-D238 HydrophobicContact CG2-CB 4.27Å; T233-D238 WeakPolarHBondContact OG1-CB 3.35Å | ||
| 234 | S | 72.4 | Confident | 86.7 | Confident | 124 Ų | 124 | 51.6 Ų | 51.6 | 87% | 0.867 | 30% | 0.297 | S | S | * | . | trans | -97 | -4.8 | 175.3 | 54.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 235 | S | 83.4 | Confident | 86.7 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | trans | -70.3 | 140 | 179.5 | 94.2 | 0 | 0 | 0 | 0 | 110.4 | E237 D238 T239 | S235-E237 VanDerWaalsContact C-N 3.29Å; S235-E237 PolarHBondContact O-N 2.87Å; S235-D238 WeakPolarHBondContact CB-OD2 3.15Å; S235-D238 WeakPolarHBondContact OG-CB 3.41Å; S235-D238 PolarHBondContact OG-N 3.3Å; S235-D238 PolarHBondContact OG-OD2 3.33Å; S235-T239 PolarHBondContact O-N 3.47Å; S235-T239 PolarHBondContact O-OG1 3.43Å | ||
| 236 | S | 82.8 | Confident | 86.8 | Confident | 82 Ų | 82 | 44.9 Ų | 44.9 | 57% | 0.573 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.8 | -36.7 | 177.5 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | T239 Y240 | S236-T239 WeakPolarHBondContact O-CB 3.27Å; S236-T239 PolarHBondContact O-N 3.27Å; S236-Y240 WeakPolarHBondContact O-CD2 3.34Å; S236-Y240 PolarHBondContact O-N 3.01Å |
| 237 | E | 83.9 | Confident | 86.9 | Confident | 123 Ų | 123 | 43.1 Ų | 43.1 | 58% | 0.575 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.6 | -47.9 | -179.1 | -70.1 | -163.7 | 138.3 | 0 | 0 | 112.5 | S235 T239 Y240 T241 | S235-E237 VanDerWaalsContact C-N 3.29Å; S235-E237 PolarHBondContact O-N 2.87Å; E237-T239 PolarHBondContact O-N 2.89Å; E237-Y240 PolarHBondContact O-N 2.94Å; E237-T241 PolarHBondContact O-N 3.08Å; E237-T241 PolarHBondContact O-OG1 2.95Å |
| 238 | D | 86.6 | Confident | 87.2 | Confident | 53 Ų | 53 | 43.1 Ų | 43.1 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 176.6 | -65.1 | -29.1 | 0 | 0 | 0 | 111.1 | L230 T233 S235 Y240 T241 L242 | L230-D238 HydrophobicContact CD2-CB 3.73Å; L230-D238 WeakPolarHBondContact CD2-OD1 3.3Å; T233-D238 WeakPolarHBondContact CB-OD2 3.48Å; T233-D238 HydrophobicContact CG2-CB 4.27Å; T233-D238 WeakPolarHBondContact OG1-CB 3.35Å; S235-D238 WeakPolarHBondContact CB-OD2 3.15Å; S235-D238 WeakPolarHBondContact OG-CB 3.41Å; S235-D238 PolarHBondContact OG-N 3.3Å; S235-D238 PolarHBondContact OG-OD2 3.33Å; D238-Y240 VanDerWaalsContact C-N 3.34Å; D238-Y240 PolarHBondContact O-N 3.42Å; D238-T241 PolarHBondContact O-N 3.01Å; D238-L242 WeakPolarHBondContact O-CB 3.4Å; D238-L242 PolarHBondContact O-N 2.68Å |
| 239 | T | 86.6 | Confident | 87.6 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 17% | 0.172 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.1 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | S235 S236 E237 D243 | S235-T239 PolarHBondContact O-N 3.47Å; S235-T239 PolarHBondContact O-OG1 3.43Å; S236-T239 WeakPolarHBondContact O-CB 3.27Å; S236-T239 PolarHBondContact O-N 3.27Å; E237-T239 PolarHBondContact O-N 2.89Å; T239-D243 WeakPolarHBondContact O-CB 3.17Å; T239-D243 VanDerWaalsContact O-CG 3.29Å; T239-D243 PolarHBondContact O-N 2.92Å |
| 240 | Y | 89.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 35.1 Ų | 35.1 | 29% | 0.29 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.4 | -36.3 | 177.2 | -69.4 | -63.2 | 0 | 0 | 0 | 112.7 | S236 E237 D238 D243 A244 | S236-Y240 WeakPolarHBondContact O-CD2 3.34Å; S236-Y240 PolarHBondContact O-N 3.01Å; E237-Y240 PolarHBondContact O-N 2.94Å; D238-Y240 VanDerWaalsContact C-N 3.34Å; D238-Y240 PolarHBondContact O-N 3.42Å; Y240-D243 PolarHBondContact O-N 2.65Å; Y240-A244 WeakPolarHBondContact O-CB 3.45Å; Y240-A244 PolarHBondContact O-N 3.1Å |
| 241 | T | 91.8 | Very high | 88.3 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.4 | -54.3 | 0 | 0 | 0 | 0 | 111 | F189 K196 L230 E237 D238 D243 A244 W245 | F189-T241 HydrophobicContact CD1-CG2 4.44Å; K196-T241 WeakPolarHBondContact CE-OG1 3.45Å; L230-T241 HydrophobicContact CD1-CG2 3.65Å; E237-T241 PolarHBondContact O-N 3.08Å; E237-T241 PolarHBondContact O-OG1 2.95Å; D238-T241 PolarHBondContact O-N 3.01Å; T241-D243 PolarHBondContact O-N 3.42Å; T241-A244 WeakPolarHBondContact O-CB 3.4Å; T241-A244 PolarHBondContact O-N 3.14Å; T241-W245 VanDerWaalsContact O-CD1 3.26Å; T241-W245 PolarHBondContact O-N 3.25Å |
| 242 | L | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 173.2 | -177.4 | 157 | 0 | 0 | 0 | 111.6 | L230 Q231 D238 A244 W245 C246 R288 | L230-L242 HydrophobicContact CB-CB 4.14Å; L230-L242 HydrophobicContact CB-CD1 4.17Å; L230-L242 HydrophobicContact CD1-CB 4.33Å; Q231-L242 HydrophobicContact CG-CD1 4.08Å; D238-L242 WeakPolarHBondContact O-CB 3.4Å; D238-L242 PolarHBondContact O-N 2.68Å; L242-A244 VanDerWaalsContact C-N 3.3Å; L242-A244 PolarHBondContact O-N 3.32Å; L242-W245 PolarHBondContact O-N 3.12Å; L242-C246 PolarHBondContact O-N 2.88Å; L242-C246 PolarHBondContact O-SG 2.98Å; L242-R288 HydrophobicContact CD2-CG 4.35Å |
| 243 | D | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 177 | -79.3 | -6.8 | 0 | 0 | 0 | 111.7 | T239 Y240 T241 C246 I247 R287 F291 | T239-D243 WeakPolarHBondContact O-CB 3.17Å; T239-D243 VanDerWaalsContact O-CG 3.29Å; T239-D243 PolarHBondContact O-N 2.92Å; Y240-D243 PolarHBondContact O-N 2.65Å; T241-D243 PolarHBondContact O-N 3.42Å; D243-C246 WeakPolarHBondContact O-CB 3.45Å; D243-C246 PolarHBondContact O-N 3.39Å; D243-I247 VanDerWaalsContact O-CG1 3.3Å; D243-I247 WeakPolarHBondContact O-CG1 3.36Å; D243-I247 PolarHBondContact O-N 2.83Å; D243-R287 WeakPolarHBondContact OD2-CD 3.45Å; D243-R287 IonicContact OD2-CZ 2.81Å; D243-R287 VanDerWaalsContact OD2-CZ 3.25Å; D243-R287 IonicContact OD2-NE 3.79Å; D243-R287 PolarHBondContact OD2-NE 3.36Å; D243-R287 IonicContact OD2-NH1 3.41Å; D243-R287 PolarHBondContact OD2-NH1 3.05Å; D243-F291 HydrophobicContact CB-CE2 3.87Å; D243-F291 WeakPolarHBondContact OD1-CE2 3.34Å |
| 244 | A | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F189 K196 A200 Y240 T241 L242 C246 I247 F248 | F189-A244 HydrophobicContact CD1-CB 4.05Å; F189-A244 HydrophobicContact CE1-CB 3.74Å; F189-A244 HydrophobicContact CZ-CB 4.42Å; K196-A244 HydrophobicContact CB-CB 3.99Å; A200-A244 HydrophobicContact CB-CB 4.07Å; A200-A244 WeakPolarHBondContact CB-O 2.93Å; Y240-A244 WeakPolarHBondContact O-CB 3.45Å; Y240-A244 PolarHBondContact O-N 3.1Å; T241-A244 WeakPolarHBondContact O-CB 3.4Å; T241-A244 PolarHBondContact O-N 3.14Å; L242-A244 VanDerWaalsContact C-N 3.3Å; L242-A244 PolarHBondContact O-N 3.32Å; A244-C246 VanDerWaalsContact C-N 3.33Å; A244-C246 PolarHBondContact O-N 2.9Å; A244-I247 WeakPolarHBondContact O-CB 3.44Å; A244-I247 PolarHBondContact O-N 3.47Å; A244-I247 VanDerWaalsContact O-N 3.13Å; A244-F248 PolarHBondContact O-N 3.36Å |
| 245 | W | 95.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -37.4 | 174.3 | -73.7 | 120.5 | 0 | 0 | 0 | 113 | F189 L203 T222 E226 I227 T241 L242 F248 L249 | F189-W245 HydrophobicContact CD1-CD2 4.16Å; F189-W245 AromaticContact CD1-CE2 3.68Å; F189-W245 AromaticContact CD1-CZ2 3.94Å; F189-W245 HydrophobicContact CD1-CZ2 3.94Å; F189-W245 AromaticContact CD1-NE1 3.75Å; F189-W245 AromaticContact CE1-CD2 3.56Å; F189-W245 HydrophobicContact CE1-CD2 3.56Å; F189-W245 AromaticContact CE1-CE2 3.54Å; F189-W245 AromaticContact CE1-CE3 3.9Å; F189-W245 HydrophobicContact CE1-CE3 3.9Å; F189-W245 HydrophobicContact CE1-CG 4.01Å; F189-W245 HydrophobicContact CE1-CH2 4.2Å; F189-W245 AromaticContact CE1-CZ2 3.88Å; F189-W245 HydrophobicContact CE1-CZ2 3.88Å; F189-W245 HydrophobicContact CE1-CZ3 4.21Å; F189-W245 AromaticContact CE1-NE1 3.93Å; F189-W245 HydrophobicContact CZ-CD2 4.38Å; F189-W245 HydrophobicContact CZ-CE3 4.28Å; F189-W245 HydrophobicContact CZ-CH2 4.38Å; F189-W245 HydrophobicContact CZ-CZ2 4.47Å; F189-W245 HydrophobicContact CZ-CZ3 4.28Å; L203-W245 HydrophobicContact CD2-CH2 4.45Å; L203-W245 HydrophobicContact CD2-CZ3 4.2Å; T222-W245 HydrophobicContact CG2-CH2 3.85Å; T222-W245 HydrophobicContact CG2-CZ2 3.9Å; E226-W245 HydrophobicContact CB-CG 4.48Å; E226-W245 HydrophobicContact CG-CZ2 4.49Å; I227-W245 HydrophobicContact CD1-CB 3.98Å; I227-W245 HydrophobicContact CG1-CB 3.8Å; T241-W245 VanDerWaalsContact O-CD1 3.26Å; T241-W245 PolarHBondContact O-N 3.25Å; L242-W245 PolarHBondContact O-N 3.12Å; W245-F248 HydrophobicContact CE3-CB 4.34Å; W245-F248 AromaticContact CE3-CD1 3.81Å; W245-F248 HydrophobicContact CE3-CD1 3.81Å; W245-F248 HydrophobicContact CE3-CE1 4.43Å; W245-F248 HydrophobicContact CE3-CG 4.2Å; W245-F248 HydrophobicContact CZ3-CD1 4.03Å; W245-F248 HydrophobicContact CZ3-CE1 4.27Å; W245-F248 HydrophobicContact CZ3-CG 4.38Å; W245-F248 WeakPolarHBondContact O-CB 3.29Å; W245-F248 PolarHBondContact O-N 3.43Å; W245-L249 PolarHBondContact O-N 3.24Å |
| 246 | C | 94.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 171.6 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | L242 D243 A244 F248 L249 I250 F291 | L242-C246 PolarHBondContact O-N 2.88Å; L242-C246 PolarHBondContact O-SG 2.98Å; D243-C246 WeakPolarHBondContact O-CB 3.45Å; D243-C246 PolarHBondContact O-N 3.39Å; A244-C246 VanDerWaalsContact C-N 3.33Å; A244-C246 PolarHBondContact O-N 2.9Å; C246-F248 VanDerWaalsContact C-N 3.34Å; C246-L249 PolarHBondContact O-N 2.86Å; C246-I250 WeakPolarHBondContact O-CB 3.42Å; C246-I250 WeakPolarHBondContact O-CD1 3.24Å; C246-I250 WeakPolarHBondContact O-CG1 3.49Å; C246-I250 PolarHBondContact O-N 3.34Å; C246-F291 HydrophobicContact CB-CB 4.09Å; C246-F291 HydrophobicContact CB-CD2 3.78Å; C246-F291 HydrophobicContact CB-CE2 4.42Å; C246-F291 HydrophobicContact CB-CG 4.02Å |
| 247 | I | 95.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.1 | -72.6 | 165.5 | 0 | 0 | 0 | 111 | E197 A200 K201 D243 A244 I250 R251 F291 | E197-I247 HydrophobicContact CB-CD1 3.92Å; E197-I247 HydrophobicContact CG-CD1 3.62Å; A200-I247 HydrophobicContact CB-CB 4.45Å; A200-I247 HydrophobicContact CB-CG2 4.28Å; K201-I247 HydrophobicContact CG-CG2 3.89Å; D243-I247 VanDerWaalsContact O-CG1 3.3Å; D243-I247 WeakPolarHBondContact O-CG1 3.36Å; D243-I247 PolarHBondContact O-N 2.83Å; A244-I247 WeakPolarHBondContact O-CB 3.44Å; A244-I247 PolarHBondContact O-N 3.47Å; A244-I247 VanDerWaalsContact O-N 3.13Å; I247-I250 PolarHBondContact O-N 2.88Å; I247-R251 WeakPolarHBondContact O-CB 3.11Å; I247-R251 WeakPolarHBondContact O-CG 3.14Å; I247-R251 PolarHBondContact O-N 2.92Å; I247-F291 HydrophobicContact CD1-CZ 4.13Å; I247-F291 HydrophobicContact CG1-CE1 3.96Å; I247-F291 HydrophobicContact CG1-CZ 3.93Å |
| 248 | F | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55 | -57.9 | 175.2 | 164.7 | -102.8 | 0 | 0 | 0 | 110.5 | A200 L203 V207 Q219 F220 A244 W245 C246 I250 R251 C252 | A200-F248 HydrophobicContact CB-CB 4.17Å; L203-F248 HydrophobicContact CB-CD2 4.29Å; L203-F248 HydrophobicContact CD2-CD2 3.89Å; L203-F248 HydrophobicContact CD2-CE2 3.97Å; L203-F248 HydrophobicContact CG-CD2 3.88Å; L203-F248 HydrophobicContact CG-CE2 3.78Å; V207-F248 HydrophobicContact CG2-CE2 3.66Å; V207-F248 HydrophobicContact CG2-CZ 4.02Å; Q219-F248 HydrophobicContact CB-CE1 4.15Å; Q219-F248 HydrophobicContact CB-CE2 4.38Å; Q219-F248 HydrophobicContact CB-CZ 3.59Å; F220-F248 AromaticContact CD1-CE1 3.91Å; F220-F248 HydrophobicContact CD1-CE1 3.91Å; F220-F248 HydrophobicContact CD1-CZ 4.28Å; F220-F248 HydrophobicContact CE1-CE1 4.22Å; F220-F248 HydrophobicContact CE1-CZ 4.36Å; A244-F248 PolarHBondContact O-N 3.36Å; W245-F248 HydrophobicContact CE3-CB 4.34Å; W245-F248 AromaticContact CE3-CD1 3.81Å; W245-F248 HydrophobicContact CE3-CD1 3.81Å; W245-F248 HydrophobicContact CE3-CE1 4.43Å; W245-F248 HydrophobicContact CE3-CG 4.2Å; W245-F248 HydrophobicContact CZ3-CD1 4.03Å; W245-F248 HydrophobicContact CZ3-CE1 4.27Å; W245-F248 HydrophobicContact CZ3-CG 4.38Å; W245-F248 WeakPolarHBondContact O-CB 3.29Å; W245-F248 PolarHBondContact O-N 3.43Å; C246-F248 VanDerWaalsContact C-N 3.34Å; F248-I250 PolarHBondContact O-N 3.37Å; F248-R251 PolarHBondContact O-N 3.46Å; F248-R251 VanDerWaalsContact O-N 3.09Å; F248-C252 WeakPolarHBondContact CE2-SG 3.32Å; F248-C252 PolarHBondContact O-N 3.2Å; F248-C252 PolarHBondContact O-SG 3.44Å; F248-C252 VanDerWaalsContact O-SG 3.35Å |
| 249 | L | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.4 | -48.5 | 179 | -72.7 | 177.5 | 0 | 0 | 0 | 112.3 | F220 S223 I227 W245 C246 R251 C252 F253 L272 L295 | F220-L249 HydrophobicContact CD1-CD2 3.64Å; F220-L249 HydrophobicContact CE1-CD2 3.93Å; S223-L249 WeakPolarHBondContact OG-CD2 3.3Å; I227-L249 HydrophobicContact CD1-CD1 3.61Å; W245-L249 PolarHBondContact O-N 3.24Å; C246-L249 PolarHBondContact O-N 2.86Å; L249-R251 PolarHBondContact O-N 2.88Å; L249-C252 PolarHBondContact O-N 3.4Å; L249-F253 WeakPolarHBondContact O-CD2 3.34Å; L249-F253 PolarHBondContact O-N 2.99Å; L249-L272 HydrophobicContact CD1-CD1 4.07Å; L249-L295 HydrophobicContact CB-CD1 3.96Å; L249-L295 HydrophobicContact CB-CD2 4.3Å; L249-L295 HydrophobicContact CD1-CD2 4.27Å |
| 250 | I | 97.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 36.7 Ų | 36.7 | 10% | 0.097 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.3 | -37.8 | 179.4 | -70.7 | 163.3 | 0 | 0 | 0 | 111.6 | C246 I247 F248 K254 F291 K294 L295 | C246-I250 WeakPolarHBondContact O-CB 3.42Å; C246-I250 WeakPolarHBondContact O-CD1 3.24Å; C246-I250 WeakPolarHBondContact O-CG1 3.49Å; C246-I250 PolarHBondContact O-N 3.34Å; I247-I250 PolarHBondContact O-N 2.88Å; F248-I250 PolarHBondContact O-N 3.37Å; I250-K254 VanDerWaalsContact O-CB 3.31Å; I250-K254 WeakPolarHBondContact O-CB 3.36Å; I250-K254 PolarHBondContact O-N 3.41Å; I250-F291 HydrophobicContact CD1-CB 3.8Å; I250-F291 HydrophobicContact CD1-CD1 3.62Å; I250-F291 HydrophobicContact CD1-CG 4.01Å; I250-K294 HydrophobicContact CD1-CB 3.95Å; I250-K294 HydrophobicContact CG1-CB 4.29Å; I250-K294 HydrophobicContact CG2-CB 4.22Å; I250-L295 HydrophobicContact CG1-CB 3.81Å; I250-L295 HydrophobicContact CG1-CD1 4.25Å |
| 251 | R | 95.4 | Very high | 93.7 | Very high | 73 Ų | 73 | 33.2 Ų | 33.2 | 28% | 0.275 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -80.5 | -35.6 | -179.4 | -72.6 | -177.3 | 102.7 | 109.8 | -6.4 | 112.3 | S204 I247 F248 L249 K254 K255 | S204-R251 WeakPolarHBondContact OG-CB 3.46Å; I247-R251 WeakPolarHBondContact O-CB 3.11Å; I247-R251 WeakPolarHBondContact O-CG 3.14Å; I247-R251 PolarHBondContact O-N 2.92Å; F248-R251 PolarHBondContact O-N 3.46Å; F248-R251 VanDerWaalsContact O-N 3.09Å; L249-R251 PolarHBondContact O-N 2.88Å; R251-K254 WeakPolarHBondContact O-CB 3.46Å; R251-K254 PolarHBondContact O-N 3.15Å; R251-K255 WeakPolarHBondContact O-CB 3.36Å; R251-K255 PolarHBondContact O-N 3.35Å |
| 252 | C | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 170.8 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | T208 F220 F248 L249 K254 K255 G256 | T208-C252 HydrophobicContact CG2-CB 4.14Å; F220-C252 HydrophobicContact CE1-CB 3.66Å; F220-C252 HydrophobicContact CZ-CB 3.91Å; F248-C252 WeakPolarHBondContact CE2-SG 3.32Å; F248-C252 PolarHBondContact O-N 3.2Å; F248-C252 PolarHBondContact O-SG 3.44Å; F248-C252 VanDerWaalsContact O-SG 3.35Å; L249-C252 PolarHBondContact O-N 3.4Å; C252-K254 PolarHBondContact O-N 2.9Å; C252-K254 VanDerWaalsContact O-N 3.13Å; C252-K255 PolarHBondContact O-N 3.46Å; C252-G256 WeakPolarHBondContact O-CA 3.24Å; C252-G256 PolarHBondContact O-N 3.47Å |
| 253 | F | 96.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 4% | 0.044 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.6 | -11 | 176.1 | -80.1 | -86.9 | 0 | 0 | 0 | 114.7 | L249 L261 A265 I268 L295 R298 I299 V302 | L249-F253 WeakPolarHBondContact O-CD2 3.34Å; L249-F253 PolarHBondContact O-N 2.99Å; F253-L261 HydrophobicContact CD1-CD1 4.3Å; F253-L261 HydrophobicContact CE1-CB 4.48Å; F253-A265 HydrophobicContact CE1-CB 4.01Å; F253-I268 HydrophobicContact CE2-CD1 3.88Å; F253-I268 HydrophobicContact CE2-CG2 4.13Å; F253-I268 HydrophobicContact CZ-CB 4.39Å; F253-I268 HydrophobicContact CZ-CD1 3.79Å; F253-I268 HydrophobicContact CZ-CG2 4.32Å; F253-L295 HydrophobicContact CD2-CD1 3.88Å; F253-L295 HydrophobicContact CE2-CD1 4.48Å; F253-L295 HydrophobicContact CG-CD1 4.41Å; F253-R298 HydrophobicContact CB-CB 3.63Å; F253-I299 HydrophobicContact CD1-CG1 3.82Å; F253-I299 HydrophobicContact CD2-CG1 4.36Å; F253-I299 HydrophobicContact CE1-CB 4.48Å; F253-I299 HydrophobicContact CE1-CG1 3.75Å; F253-I299 HydrophobicContact CE2-CG1 4.29Å; F253-I299 HydrophobicContact CG-CG1 4.14Å; F253-I299 HydrophobicContact CZ-CD1 4.47Å; F253-I299 HydrophobicContact CZ-CG1 3.99Å; F253-V302 HydrophobicContact CD1-CG2 3.81Å; F253-V302 HydrophobicContact CE1-CG2 4.29Å |
| 254 | K | 94.2 | Very high | 93.9 | Very high | 122 Ų | 122 | 40.5 Ų | 40.5 | 53% | 0.53 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -89.4 | -36.6 | 173.3 | 179.4 | -175 | 172 | -168.2 | 0 | 112.4 | I250 R251 C252 | I250-K254 VanDerWaalsContact O-CB 3.31Å; I250-K254 WeakPolarHBondContact O-CB 3.36Å; I250-K254 PolarHBondContact O-N 3.41Å; R251-K254 WeakPolarHBondContact O-CB 3.46Å; R251-K254 PolarHBondContact O-N 3.15Å; C252-K254 PolarHBondContact O-N 2.9Å; C252-K254 VanDerWaalsContact O-N 3.13Å |
| 255 | K | 90.6 | Very high | 93.9 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -105.4 | -31 | -170.8 | -72.4 | -172.4 | 168.4 | -167 | 0 | 113.7 | S205 T208 R251 C252 | S205-K255 PolarHBondContact OG-NZ 3.21Å; T208-K255 HydrophobicContact CG2-CB 4.29Å; R251-K255 WeakPolarHBondContact O-CB 3.36Å; R251-K255 PolarHBondContact O-N 3.35Å; C252-K255 PolarHBondContact O-N 3.46Å |
| 256 | G | 91.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -66.4 | 154.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | C252 | C252-G256 WeakPolarHBondContact O-CA 3.24Å; C252-G256 PolarHBondContact O-N 3.47Å |
| 257 | R | 90.7 | Very high | 93.8 | Very high | 112 Ų | 112 | 44.6 Ų | 44.6 | 42% | 0.423 | 23% | 0.226 | S | C | . | . | trans | -71 | 144.7 | 177.9 | -60.3 | 179.7 | -65.5 | -177.7 | 2 | 109.7 | D259 D260 L261 | R257-D259 VanDerWaalsContact C-N 3.28Å; R257-D259 PolarHBondContact O-N 2.9Å; R257-D260 IonicContact CZ-OD1 2.72Å; R257-D260 IonicContact CZ-OD2 2.89Å; R257-D260 IonicContact NE-OD1 3.78Å; R257-D260 IonicContact NE-OD2 3.42Å; R257-D260 PolarHBondContact NE-OD2 3.2Å; R257-D260 IonicContact NH2-OD1 3.65Å; R257-D260 PolarHBondContact NH2-OD1 3.24Å; R257-D260 VanDerWaalsContact NH2-OD1 3.17Å; R257-D260 IonicContact NH2-OD2 2.67Å; R257-D260 PolarHBondContact NH2-OD2 3.2Å; R257-D260 PolarHBondContact O-N 3.42Å; R257-L261 VanDerWaalsContact O-CG 3.28Å; R257-L261 WeakPolarHBondContact O-CG 3.42Å; R257-L261 PolarHBondContact O-N 2.99Å | ||
| 258 | R | 91.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 43.9 Ų | 43.9 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | -179.6 | -179.7 | 177.7 | 177.1 | -80.3 | -2.7 | 111.8 | D260 L261 L262 V302 F303 | R258-D260 VanDerWaalsContact C-N 3.29Å; R258-D260 PolarHBondContact O-N 3.26Å; R258-L261 PolarHBondContact O-N 3Å; R258-L261 VanDerWaalsContact O-N 3.11Å; R258-L262 WeakPolarHBondContact O-CB 3.35Å; R258-L262 PolarHBondContact O-N 3.06Å; R258-V302 HydrophobicContact CG-CG1 4.32Å; R258-V302 PolarHBondContact NE-O 2.67Å; R258-F303 PolarHBondContact NH2-O 3.04Å |
| 259 | D | 90.1 | Very high | 93.6 | Very high | 130 Ų | 130 | 43.9 Ų | 43.9 | 70% | 0.695 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.9 | -37.1 | -175.1 | -56.4 | -28.3 | 0 | 0 | 0 | 111.7 | R257 | R257-D259 VanDerWaalsContact C-N 3.28Å; R257-D259 PolarHBondContact O-N 2.9Å |
| 260 | D | 91.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 47.7 Ų | 47.7 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.8 | -28.6 | 175.7 | -54 | -33 | 0 | 0 | 0 | 112.4 | V213 M216 R257 R258 H264 | V213-D260 HydrophobicContact CG1-CB 4.28Å; M216-D260 HydrophobicContact CE-CB 3.91Å; R257-D260 IonicContact CZ-OD1 2.72Å; R257-D260 IonicContact CZ-OD2 2.89Å; R257-D260 IonicContact NE-OD1 3.78Å; R257-D260 IonicContact NE-OD2 3.42Å; R257-D260 PolarHBondContact NE-OD2 3.2Å; R257-D260 IonicContact NH2-OD1 3.65Å; R257-D260 PolarHBondContact NH2-OD1 3.24Å; R257-D260 VanDerWaalsContact NH2-OD1 3.17Å; R257-D260 IonicContact NH2-OD2 2.67Å; R257-D260 PolarHBondContact NH2-OD2 3.2Å; R257-D260 PolarHBondContact O-N 3.42Å; R258-D260 VanDerWaalsContact C-N 3.29Å; R258-D260 PolarHBondContact O-N 3.26Å; D260-H264 PolarHBondContact O-CD2 3.37Å |
| 261 | L | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -95.2 | -28 | -172.2 | -66.8 | 175.1 | 0 | 0 | 0 | 114 | M216 F220 F253 R257 R258 G263 H264 A265 V302 | M216-L261 HydrophobicContact CE-CD2 4.07Å; M216-L261 HydrophobicContact SD-CD2 4.08Å; F220-L261 HydrophobicContact CE2-CD2 3.93Å; F220-L261 HydrophobicContact CZ-CD2 3.73Å; F253-L261 HydrophobicContact CD1-CD1 4.3Å; F253-L261 HydrophobicContact CE1-CB 4.48Å; R257-L261 VanDerWaalsContact O-CG 3.28Å; R257-L261 WeakPolarHBondContact O-CG 3.42Å; R257-L261 PolarHBondContact O-N 2.99Å; R258-L261 PolarHBondContact O-N 3Å; R258-L261 VanDerWaalsContact O-N 3.11Å; L261-G263 VanDerWaalsContact C-N 3.33Å; L261-G263 PolarHBondContact O-N 3.22Å; L261-H264 PolarHBondContact O-N 3.47Å; L261-A265 PolarHBondContact O-N 3.34Å; L261-V302 HydrophobicContact CB-CG1 3.96Å; L261-V302 HydrophobicContact CB-CG2 4.19Å; L261-V302 HydrophobicContact CD1-CG2 4.12Å |
| 262 | L | 93.1 | Very high | 93 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | -170 | -176.7 | 66.9 | 0 | 0 | 0 | 112.4 | R258 H264 A265 V302 F303 | R258-L262 WeakPolarHBondContact O-CB 3.35Å; R258-L262 PolarHBondContact O-N 3.06Å; L262-H264 PolarHBondContact O-N 3.05Å; L262-A265 PolarHBondContact O-N 3.04Å; L262-V302 HydrophobicContact CB-CG1 4.14Å; L262-V302 HydrophobicContact CD1-CG1 4.08Å; L262-F303 HydrophobicContact CD1-CD1 4.24Å |
| 263 | G | 91.6 | Very high | 92.7 | Very high | 69 Ų | 69 | 51 Ų | 51 | 71% | 0.711 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.8 | -23.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L261 | L261-G263 VanDerWaalsContact C-N 3.33Å; L261-G263 PolarHBondContact O-N 3.22Å |
| 264 | H | 93.6 | Very high | 92.2 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 18% | 0.181 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -102.9 | -17.8 | -178.6 | -57.6 | -78.4 | 0 | 0 | 0 | 113.3 | D260 L261 L262 G266 R267 I268 | D260-H264 PolarHBondContact O-CD2 3.37Å; L261-H264 PolarHBondContact O-N 3.47Å; L262-H264 PolarHBondContact O-N 3.05Å; H264-G266 PolarHBondContact O-N 3.09Å; H264-R267 PolarHBondContact ND1-NH2 3.37Å; H264-R267 PolarHBondContact O-N 3.03Å; H264-I268 HydrophobicContact CB-CD1 3.9Å; H264-I268 WeakPolarHBondContact O-CB 3.33Å; H264-I268 WeakPolarHBondContact O-CG1 3.35Å; H264-I268 PolarHBondContact O-N 3.24Å |
| 265 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.5 | -49.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F253 L261 L262 Y269 I299 V302 F303 | F253-A265 HydrophobicContact CE1-CB 4.01Å; L261-A265 PolarHBondContact O-N 3.34Å; L262-A265 PolarHBondContact O-N 3.04Å; A265-Y269 VanDerWaalsContact O-CB 3.27Å; A265-Y269 WeakPolarHBondContact O-CB 3.39Å; A265-Y269 PolarHBondContact O-N 3.46Å; A265-I299 HydrophobicContact CB-CG2 4.16Å; A265-V302 HydrophobicContact CB-CB 4.35Å; A265-V302 HydrophobicContact CB-CG1 3.98Å; A265-F303 HydrophobicContact CB-CD1 4.41Å; A265-F303 HydrophobicContact CB-CE1 3.77Å; A265-F303 HydrophobicContact CB-CZ 3.94Å |
| 266 | G | 93.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 55 Ų | 55 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H264 Y269 N270 | H264-G266 PolarHBondContact O-N 3.09Å; G266-Y269 PolarHBondContact O-N 3.09Å; G266-N270 WeakPolarHBondContact O-CB 3.4Å; G266-N270 VanDerWaalsContact O-CG 3.25Å; G266-N270 PolarHBondContact O-N 3.01Å; G266-N270 PolarHBondContact O-ND2 2.78Å |
| 267 | R | 93.7 | Very high | 88.5 | Confident | 84 Ų | 84 | 58.3 Ų | 58.3 | 32% | 0.317 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.9 | -54.4 | 177.3 | -177.1 | -174.1 | 66.6 | 157.4 | 6.4 | 111.7 | E221 H264 Y269 N270 E271 | E221-R267 IonicContact OE1-CZ 3.46Å; E221-R267 IonicContact OE1-NH1 3.65Å; E221-R267 PolarHBondContact OE1-NH1 3.41Å; E221-R267 IonicContact OE1-NH2 2.79Å; E221-R267 PolarHBondContact OE1-NH2 3.23Å; E221-R267 IonicContact OE2-NH1 3.37Å; H264-R267 PolarHBondContact ND1-NH2 3.37Å; H264-R267 PolarHBondContact O-N 3.03Å; R267-Y269 VanDerWaalsContact C-N 3.29Å; R267-Y269 PolarHBondContact O-N 3.34Å; R267-N270 PolarHBondContact O-N 3.32Å; R267-E271 WeakPolarHBondContact CD-OE1 3.35Å; R267-E271 HydrophobicContact CG-CG 4.39Å; R267-E271 WeakPolarHBondContact CG-OE1 3.44Å; R267-E271 WeakPolarHBondContact O-CB 3.35Å; R267-E271 WeakPolarHBondContact O-CG 3.46Å; R267-E271 PolarHBondContact O-N 3Å |
| 268 | I | 94.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | -179.7 | -71.6 | 167.5 | 0 | 0 | 0 | 110.8 | F220 L224 F253 H264 L272 I299 | F220-I268 HydrophobicContact CB-CD1 4.21Å; F220-I268 HydrophobicContact CD1-CD1 4.33Å; F220-I268 HydrophobicContact CD2-CD1 3.75Å; F220-I268 HydrophobicContact CE2-CD1 4.13Å; F220-I268 HydrophobicContact CG-CD1 3.86Å; L224-I268 HydrophobicContact CD1-CG1 4.16Å; L224-I268 HydrophobicContact CD2-CG2 4.37Å; F253-I268 HydrophobicContact CE2-CD1 3.88Å; F253-I268 HydrophobicContact CE2-CG2 4.13Å; F253-I268 HydrophobicContact CZ-CB 4.39Å; F253-I268 HydrophobicContact CZ-CD1 3.79Å; F253-I268 HydrophobicContact CZ-CG2 4.32Å; H264-I268 HydrophobicContact CB-CD1 3.9Å; H264-I268 WeakPolarHBondContact O-CB 3.33Å; H264-I268 WeakPolarHBondContact O-CG1 3.35Å; H264-I268 PolarHBondContact O-N 3.24Å; I268-L272 HydrophobicContact CG2-CD1 3.78Å; I268-L272 HydrophobicContact CG2-CG 4.47Å; I268-L272 WeakPolarHBondContact O-CB 3.49Å; I268-L272 VanDerWaalsContact O-CG 3.26Å; I268-L272 WeakPolarHBondContact O-CG 3.25Å; I268-L272 PolarHBondContact O-N 3.16Å; I268-L272 VanDerWaalsContact O-N 3.09Å; I268-I299 HydrophobicContact CG2-CD1 4.4Å |
| 269 | Y | 94 | Very high | 85.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 176.2 | 177.6 | -111.1 | 0 | 0 | 0 | 112 | A265 G266 R267 K273 W292 I296 I299 E356 I357 | A265-Y269 VanDerWaalsContact O-CB 3.27Å; A265-Y269 WeakPolarHBondContact O-CB 3.39Å; A265-Y269 PolarHBondContact O-N 3.46Å; G266-Y269 PolarHBondContact O-N 3.09Å; R267-Y269 VanDerWaalsContact C-N 3.29Å; R267-Y269 PolarHBondContact O-N 3.34Å; Y269-K273 HydrophobicContact CE1-CD 4.07Å; Y269-K273 WeakPolarHBondContact O-CB 3.47Å; Y269-K273 PolarHBondContact O-N 3.46Å; Y269-W292 HydrophobicContact CD2-CH2 4.04Å; Y269-W292 AromaticContact CE2-CH2 3.95Å; Y269-W292 HydrophobicContact CE2-CH2 3.95Å; Y269-W292 AromaticContact CE2-CZ2 4Å; Y269-W292 HydrophobicContact CE2-CZ2 4Å; Y269-I296 HydrophobicContact CD2-CG2 4.1Å; Y269-I296 HydrophobicContact CE2-CB 4.4Å; Y269-I296 HydrophobicContact CE2-CG2 3.86Å; Y269-I299 HydrophobicContact CD2-CD1 4.46Å; Y269-E356 WeakPolarHBondContact OH-CG 3.46Å; Y269-E356 PolarHBondContact OH-OE2 3.36Å; Y269-I357 HydrophobicContact CD2-CG1 4.46Å; Y269-I357 HydrophobicContact CE2-CD1 4.38Å; Y269-I357 HydrophobicContact CE2-CG1 3.84Å |
| 270 | N | 92.3 | Very high | 85.5 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | -176.5 | -71.8 | -24.2 | 0 | 0 | 0 | 112.1 | G266 R267 K273 S274 | G266-N270 WeakPolarHBondContact O-CB 3.4Å; G266-N270 VanDerWaalsContact O-CG 3.25Å; G266-N270 PolarHBondContact O-N 3.01Å; G266-N270 PolarHBondContact O-ND2 2.78Å; R267-N270 PolarHBondContact O-N 3.32Å; N270-K273 PolarHBondContact O-N 3.36Å; N270-S274 VanDerWaalsContact O-CB 3.3Å; N270-S274 WeakPolarHBondContact O-CB 3.41Å; N270-S274 PolarHBondContact O-N 2.8Å; N270-S274 PolarHBondContact O-OG 3.19Å |
| 271 | E | 92.3 | Very high | 85.3 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 34% | 0.341 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.8 | -74.6 | -175 | -141.7 | 0 | 0 | 112.2 | R267 K273 S274 L275 | R267-E271 WeakPolarHBondContact CD-OE1 3.35Å; R267-E271 HydrophobicContact CG-CG 4.39Å; R267-E271 WeakPolarHBondContact CG-OE1 3.44Å; R267-E271 WeakPolarHBondContact O-CB 3.35Å; R267-E271 WeakPolarHBondContact O-CG 3.46Å; R267-E271 PolarHBondContact O-N 3Å; E271-K273 VanDerWaalsContact C-N 3.29Å; E271-K273 PolarHBondContact O-N 2.8Å; E271-S274 PolarHBondContact O-N 3.45Å; E271-S274 PolarHBondContact O-OG 3.45Å; E271-L275 WeakPolarHBondContact O-CG 3.37Å |
| 272 | L | 92.1 | Very high | 84.9 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 176.6 | -72.5 | 172.3 | 0 | 0 | 0 | 111.8 | L224 I227 L249 I268 L275 W280 W292 L295 | L224-L272 HydrophobicContact CD2-CD1 4.38Å; L224-L272 HydrophobicContact CD2-CD2 3.8Å; L224-L272 HydrophobicContact CD2-CG 3.74Å; I227-L272 HydrophobicContact CB-CD2 4.5Å; I227-L272 HydrophobicContact CD1-CD2 4.18Å; I227-L272 HydrophobicContact CG2-CD2 3.87Å; L249-L272 HydrophobicContact CD1-CD1 4.07Å; I268-L272 HydrophobicContact CG2-CD1 3.78Å; I268-L272 HydrophobicContact CG2-CG 4.47Å; I268-L272 WeakPolarHBondContact O-CB 3.49Å; I268-L272 VanDerWaalsContact O-CG 3.26Å; I268-L272 WeakPolarHBondContact O-CG 3.25Å; I268-L272 PolarHBondContact O-N 3.16Å; I268-L272 VanDerWaalsContact O-N 3.09Å; L272-L275 HydrophobicContact CD2-CD1 4.34Å; L272-W280 HydrophobicContact CD2-CZ2 4.2Å; L272-W280 PolarHBondContact O-NE1 3.49Å; L272-W292 HydrophobicContact CB-CH2 4.41Å; L272-W292 HydrophobicContact CB-CZ3 4Å; L272-W292 HydrophobicContact CD1-CZ3 4.47Å; L272-L295 HydrophobicContact CD1-CD2 3.54Å |
| 273 | K | 89.2 | Confident | 84.5 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.8 | -36.6 | 179 | -178.6 | -171.3 | 171.8 | -157.6 | 0 | 112.3 | Y269 N270 E271 L275 W292 E356 | Y269-K273 HydrophobicContact CE1-CD 4.07Å; Y269-K273 WeakPolarHBondContact O-CB 3.47Å; Y269-K273 PolarHBondContact O-N 3.46Å; N270-K273 PolarHBondContact O-N 3.36Å; E271-K273 VanDerWaalsContact C-N 3.29Å; E271-K273 PolarHBondContact O-N 2.8Å; K273-L275 PolarHBondContact O-N 3.1Å; K273-W292 HydrophobicContact CB-CH2 4.3Å; K273-E356 VanDerWaalsContact CE-OE1 3.32Å; K273-E356 WeakPolarHBondContact CE-OE1 3.37Å; K273-E356 IonicContact NZ-OE1 2.64Å; K273-E356 PolarHBondContact NZ-OE1 3.44Å; K273-E356 IonicContact NZ-OE2 2.8Å; K273-E356 PolarHBondContact NZ-OE2 3.22Å |
| 274 | S | 87.2 | Confident | 84.2 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -2.1 | -177.3 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | N270 E271 D276 | N270-S274 VanDerWaalsContact O-CB 3.3Å; N270-S274 WeakPolarHBondContact O-CB 3.41Å; N270-S274 PolarHBondContact O-N 2.8Å; N270-S274 PolarHBondContact O-OG 3.19Å; E271-S274 PolarHBondContact O-N 3.45Å; E271-S274 PolarHBondContact O-OG 3.45Å; S274-D276 PolarHBondContact O-N 3.1Å |
| 275 | L | 83.5 | Confident | 83.9 | Confident | 36 Ų | 36 | 54.9 Ų | 54.9 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | trans | -68.7 | 96.6 | 174.3 | -65.7 | 166.3 | 0 | 0 | 0 | 108.5 | I227 A228 E271 L272 K273 S277 C278 | I227-L275 HydrophobicContact CG2-CD1 4.33Å; A228-L275 HydrophobicContact CB-CD1 4.48Å; A228-L275 HydrophobicContact CB-CD2 3.76Å; E271-L275 WeakPolarHBondContact O-CG 3.37Å; L272-L275 HydrophobicContact CD2-CD1 4.34Å; K273-L275 PolarHBondContact O-N 3.1Å; L275-S277 PolarHBondContact O-N 3.47Å; L275-S277 VanDerWaalsContact O-N 3.12Å; L275-C278 HydrophobicContact CB-CB 4.01Å; L275-C278 WeakPolarHBondContact O-CA 3.25Å; L275-C278 WeakPolarHBondContact O-CB 3.35Å; L275-C278 PolarHBondContact O-N 3.13Å | ||
| 276 | D | 60.5 | Low | 83.8 | Confident | 171 Ų | 171 | 57.1 Ų | 57.1 | 91% | 0.914 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.9 | -176.8 | -82.1 | -27 | 0 | 0 | 0 | 113.6 | S274 C278 | S274-D276 PolarHBondContact O-N 3.1Å; D276-C278 PolarHBondContact O-N 3.26Å |
| 277 | S | 54.2 | Low | 83.7 | Confident | 87 Ų | 87 | 60.8 Ų | 60.8 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7 | 172.2 | 45.7 | 0 | 0 | 0 | 0 | 114 | Q231 L275 | Q231-S277 PolarHBondContact OE1-OG 3.11Å; L275-S277 PolarHBondContact O-N 3.47Å; L275-S277 VanDerWaalsContact O-N 3.12Å |
| 278 | C | 52 | Low | 83.6 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 14% | 0.142 | 32% | 0.323 | C | S | . | . | trans | -119.6 | 86.5 | -167.4 | -106.5 | 0 | 0 | 0 | 0 | 112.6 | Q231 L275 D276 W280 | Q231-C278 PolarHBondContact NE2-SG 3.38Å; Q231-C278 PolarHBondContact OE1-SG 3.1Å; L275-C278 HydrophobicContact CB-CB 4.01Å; L275-C278 WeakPolarHBondContact O-CA 3.25Å; L275-C278 WeakPolarHBondContact O-CB 3.35Å; L275-C278 PolarHBondContact O-N 3.13Å; D276-C278 PolarHBondContact O-N 3.26Å; C278-W280 HydrophobicContact CB-CD2 4.32Å; C278-W280 HydrophobicContact CB-CG 4.12Å; C278-W280 PolarHBondContact O-N 3.18Å; C278-W280 VanDerWaalsContact SG-CE2 3.57Å | ||
| 279 | A | 69.5 | Low | 83.5 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | trans | -69.4 | 70.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | T281 N282 S283 | A279-T281 PolarHBondContact O-N 2.99Å; A279-T281 VanDerWaalsContact O-N 3.11Å; A279-N282 HydrophobicContact CB-CB 3.66Å; A279-N282 CarbonylContact O-C 3.58Å; A279-N282 WeakPolarHBondContact O-CA 3.49Å; A279-N282 PolarHBondContact O-N 3.06Å; A279-S283 VanDerWaalsContact O-CA 3.29Å; A279-S283 WeakPolarHBondContact O-CA 3.33Å; A279-S283 WeakPolarHBondContact O-CB 3.39Å; A279-S283 PolarHBondContact O-N 3.01Å | ||
| 280 | W | 87 | Confident | 83.6 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -41.1 | 178.4 | -72 | 103.7 | 0 | 0 | 0 | 111.5 | I227 L272 C278 R288 R289 W292 | I227-W280 HydrophobicContact CG2-CH2 3.91Å; I227-W280 HydrophobicContact CG2-CZ2 3.96Å; L272-W280 HydrophobicContact CD2-CZ2 4.2Å; L272-W280 PolarHBondContact O-NE1 3.49Å; C278-W280 HydrophobicContact CB-CD2 4.32Å; C278-W280 HydrophobicContact CB-CG 4.12Å; C278-W280 PolarHBondContact O-N 3.18Å; C278-W280 VanDerWaalsContact SG-CE2 3.57Å; W280-R288 HydrophobicContact CE3-CB 4.4Å; W280-R288 HydrophobicContact CZ3-CB 4.47Å; W280-R289 WeakPolarHBondContact O-CG 3.34Å; W280-W292 HydrophobicContact CB-CB 4.03Å; W280-W292 HydrophobicContact CB-CD2 3.78Å; W280-W292 HydrophobicContact CB-CE3 4.42Å; W280-W292 HydrophobicContact CB-CG 3.57Å; W280-W292 HydrophobicContact CD2-CD2 4.43Å; W280-W292 HydrophobicContact CD2-CE3 4.21Å; W280-W292 HydrophobicContact CE3-CB 4.38Å; W280-W292 AromaticContact CG-CD2 3.97Å; W280-W292 HydrophobicContact CG-CD2 3.97Å; W280-W292 HydrophobicContact CG-CE3 4.11Å; W280-W292 HydrophobicContact CG-CG 4.19Å |
| 281 | T | 88.2 | Confident | 83.7 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -28.1 | 176.1 | -54 | 0 | 0 | 0 | 0 | 113.3 | A279 R289 V363 L364 | A279-T281 PolarHBondContact O-N 2.99Å; A279-T281 VanDerWaalsContact O-N 3.11Å; T281-R289 WeakPolarHBondContact O-CD 3.49Å; T281-V363 HydrophobicContact CG2-CB 4.27Å; T281-V363 HydrophobicContact CG2-CG1 3.49Å; T281-V363 VanDerWaalsContact CG2-CG1 3.49Å; T281-L364 HydrophobicContact CG2-CD2 3.87Å; T281-L364 HydrophobicContact CG2-CG 4.13Å |
| 282 | N | 86 | Confident | 83.9 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 66% | 0.663 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 18.7 | 177.9 | -47.2 | -45.3 | 0 | 0 | 0 | 113.1 | A279 | A279-N282 HydrophobicContact CB-CB 3.66Å; A279-N282 CarbonylContact O-C 3.58Å; A279-N282 WeakPolarHBondContact O-CA 3.49Å; A279-N282 PolarHBondContact O-N 3.06Å |
| 283 | S | 86.1 | Confident | 84.1 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | trans | -67 | 140.7 | -173.2 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | A279 S285 R289 | A279-S283 VanDerWaalsContact O-CA 3.29Å; A279-S283 WeakPolarHBondContact O-CA 3.33Å; A279-S283 WeakPolarHBondContact O-CB 3.39Å; A279-S283 PolarHBondContact O-N 3.01Å; S283-S285 PolarHBondContact O-N 3.17Å; S283-S285 PolarHBondContact OG-N 2.88Å; S283-R289 VanDerWaalsContact O-CD 3.3Å; S283-R289 WeakPolarHBondContact O-CD 2.98Å; S283-R289 PolarHBondContact O-NH1 3.5Å | ||
| 284 | N | 85.1 | Confident | 84.5 | Confident | 151 Ų | 151 | 54.1 Ų | 54.1 | 81% | 0.807 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -61.2 | -26.7 | 173.1 | -73.3 | -26.4 | 0 | 0 | 0 | 112.2 | V286 | N284-V286 PolarHBondContact O-N 3.04Š|
| 285 | S | 87.7 | Confident | 85 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | trans | -81 | 115.1 | 177.7 | 175 | 0 | 0 | 0 | 0 | 112.2 | S283 R287 R288 R289 | S283-S285 PolarHBondContact O-N 3.17Å; S283-S285 PolarHBondContact OG-N 2.88Å; S285-R287 PolarHBondContact O-N 3.37Å; S285-R287 PolarHBondContact OG-N 3.3Å; S285-R288 PolarHBondContact O-N 3.45Å; S285-R288 VanDerWaalsContact O-N 3.14Å; S285-R288 PolarHBondContact OG-N 2.94Å; S285-R289 WeakPolarHBondContact O-CG 3.41Å; S285-R289 PolarHBondContact O-N 3.33Å | ||
| 286 | V | 92.3 | Very high | 85.6 | Confident | 48 Ų | 48 | 49.1 Ų | 49.1 | 29% | 0.291 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57 | -36.9 | 173.7 | -174 | 0 | 0 | 0 | 0 | 111.6 | N284 K290 D369 I371 V372 | N284-V286 PolarHBondContact O-N 3.04Å; V286-K290 WeakPolarHBondContact O-CB 3.28Å; V286-K290 PolarHBondContact O-N 2.86Å; V286-D369 HydrophobicContact CG1-CB 3.71Å; V286-D369 WeakPolarHBondContact CG2-OD2 3.31Å; V286-I371 HydrophobicContact CG1-CG2 3.73Å; V286-V372 HydrophobicContact CG1-CG2 4.1Å |
| 287 | R | 90.8 | Very high | 87.2 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 177 | -75.1 | -172.8 | -87 | 170.8 | -10 | 111.2 | D243 S285 R289 K290 F291 | D243-R287 WeakPolarHBondContact OD2-CD 3.45Å; D243-R287 IonicContact OD2-CZ 2.81Å; D243-R287 VanDerWaalsContact OD2-CZ 3.25Å; D243-R287 IonicContact OD2-NE 3.79Å; D243-R287 PolarHBondContact OD2-NE 3.36Å; D243-R287 IonicContact OD2-NH1 3.41Å; D243-R287 PolarHBondContact OD2-NH1 3.05Å; S285-R287 PolarHBondContact O-N 3.37Å; S285-R287 PolarHBondContact OG-N 3.3Å; R287-R289 PolarHBondContact O-N 3.5Å; R287-K290 WeakPolarHBondContact O-CB 3.31Å; R287-K290 PolarHBondContact O-N 3.02Å; R287-F291 HydrophobicContact CB-CD2 4.39Å; R287-F291 HydrophobicContact CB-CE2 4Å; R287-F291 WeakPolarHBondContact O-CB 3.49Å; R287-F291 VanDerWaalsContact O-CD2 3.24Å; R287-F291 WeakPolarHBondContact O-CD2 3.45Å; R287-F291 WeakPolarHBondContact O-CG 3.37Å; R287-F291 PolarHBondContact O-N 3.07Å |
| 288 | R | 90.7 | Very high | 89.3 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 178.3 | -69.3 | -176.5 | -174.2 | 170.2 | 3.3 | 111.8 | L242 W280 S285 K290 F291 W292 | L242-R288 HydrophobicContact CD2-CG 4.35Å; W280-R288 HydrophobicContact CE3-CB 4.4Å; W280-R288 HydrophobicContact CZ3-CB 4.47Å; S285-R288 PolarHBondContact O-N 3.45Å; S285-R288 VanDerWaalsContact O-N 3.14Å; S285-R288 PolarHBondContact OG-N 2.94Å; R288-K290 VanDerWaalsContact C-N 3.35Å; R288-K290 PolarHBondContact O-N 3.28Å; R288-F291 PolarHBondContact O-N 3.09Å; R288-W292 WeakPolarHBondContact O-CB 3.38Å; R288-W292 PolarHBondContact O-N 3.34Å |
| 289 | R | 94.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.6 | -52.2 | -154.4 | -61.5 | -69.1 | -6.1 | 112.4 | W280 T281 S283 S285 R287 W292 A293 D367 D369 V372 | W280-R289 WeakPolarHBondContact O-CG 3.34Å; T281-R289 WeakPolarHBondContact O-CD 3.49Å; S283-R289 VanDerWaalsContact O-CD 3.3Å; S283-R289 WeakPolarHBondContact O-CD 2.98Å; S283-R289 PolarHBondContact O-NH1 3.5Å; S285-R289 WeakPolarHBondContact O-CG 3.41Å; S285-R289 PolarHBondContact O-N 3.33Å; R287-R289 PolarHBondContact O-N 3.5Å; R289-W292 PolarHBondContact O-N 3.31Å; R289-A293 WeakPolarHBondContact O-CB 3.13Å; R289-A293 PolarHBondContact O-N 3.24Å; R289-D367 IonicContact CZ-OD1 3.85Å; R289-D367 IonicContact CZ-OD2 3.84Å; R289-D367 IonicContact NE-OD1 2.99Å; R289-D367 IonicContact NE-OD2 2.74Å; R289-D367 PolarHBondContact NE-OD2 3Å; R289-D367 IonicContact NH2-OD1 3.96Å; R289-D367 PolarHBondContact NH2-OD1 3.24Å; R289-D367 IonicContact NH2-OD2 3Å; R289-D367 PolarHBondContact NH2-OD2 3.39Å; R289-D369 IonicContact CZ-OD2 2.76Å; R289-D369 IonicContact NH2-OD2 3.36Å; R289-D369 PolarHBondContact NH2-OD2 3.09Å; R289-V372 HydrophobicContact CB-CG1 4.18Å; R289-V372 HydrophobicContact CB-CG2 3.97Å |
| 290 | K | 95.4 | Very high | 92.6 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 20% | 0.2 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 174.4 | 175.4 | -164.8 | 176.5 | -174 | 0 | 112 | V286 R287 R288 A293 K294 I371 V372 | V286-K290 WeakPolarHBondContact O-CB 3.28Å; V286-K290 PolarHBondContact O-N 2.86Å; R287-K290 WeakPolarHBondContact O-CB 3.31Å; R287-K290 PolarHBondContact O-N 3.02Å; R288-K290 VanDerWaalsContact C-N 3.35Å; R288-K290 PolarHBondContact O-N 3.28Å; K290-A293 PolarHBondContact O-N 2.84Å; K290-K294 WeakPolarHBondContact O-CB 3.19Å; K290-K294 WeakPolarHBondContact O-CG 3.27Å; K290-K294 PolarHBondContact O-N 3.32Å; K290-I371 HydrophobicContact CD-CD1 3.76Å; K290-I371 HydrophobicContact CD-CG1 3.84Å; K290-I371 HydrophobicContact CD-CG2 4.42Å; K290-I371 HydrophobicContact CG-CG1 4.38Å; K290-I371 VanDerWaalsContact NZ-CD1 3.33Å; K290-V372 HydrophobicContact CB-CG2 4.26Å |
| 291 | F | 94.9 | Very high | 92.9 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 178 | -69.3 | -32.5 | 0 | 0 | 0 | 111.1 | D243 C246 I247 I250 R287 R288 K294 L295 | D243-F291 HydrophobicContact CB-CE2 3.87Å; D243-F291 WeakPolarHBondContact OD1-CE2 3.34Å; C246-F291 HydrophobicContact CB-CB 4.09Å; C246-F291 HydrophobicContact CB-CD2 3.78Å; C246-F291 HydrophobicContact CB-CE2 4.42Å; C246-F291 HydrophobicContact CB-CG 4.02Å; I247-F291 HydrophobicContact CD1-CZ 4.13Å; I247-F291 HydrophobicContact CG1-CE1 3.96Å; I247-F291 HydrophobicContact CG1-CZ 3.93Å; I250-F291 HydrophobicContact CD1-CB 3.8Å; I250-F291 HydrophobicContact CD1-CD1 3.62Å; I250-F291 HydrophobicContact CD1-CG 4.01Å; R287-F291 HydrophobicContact CB-CD2 4.39Å; R287-F291 HydrophobicContact CB-CE2 4Å; R287-F291 WeakPolarHBondContact O-CB 3.49Å; R287-F291 VanDerWaalsContact O-CD2 3.24Å; R287-F291 WeakPolarHBondContact O-CD2 3.45Å; R287-F291 WeakPolarHBondContact O-CG 3.37Å; R287-F291 PolarHBondContact O-N 3.07Å; R288-F291 PolarHBondContact O-N 3.09Å; F291-K294 CarbonylContact O-C 3.18Å; F291-K294 PolarHBondContact O-N 3.3Å; F291-K294 VanDerWaalsContact O-N 3.14Å; F291-L295 WeakPolarHBondContact O-CB 3.33Å; F291-L295 PolarHBondContact O-N 3.42Å |
| 292 | W | 95.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 4% | 0.038 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.1 | -53.7 | 172.7 | -173.6 | -125.9 | 0 | 0 | 0 | 111.7 | Y269 L272 K273 W280 R288 R289 K294 L295 I296 | Y269-W292 HydrophobicContact CD2-CH2 4.04Å; Y269-W292 AromaticContact CE2-CH2 3.95Å; Y269-W292 HydrophobicContact CE2-CH2 3.95Å; Y269-W292 AromaticContact CE2-CZ2 4Å; Y269-W292 HydrophobicContact CE2-CZ2 4Å; L272-W292 HydrophobicContact CB-CH2 4.41Å; L272-W292 HydrophobicContact CB-CZ3 4Å; L272-W292 HydrophobicContact CD1-CZ3 4.47Å; K273-W292 HydrophobicContact CB-CH2 4.3Å; W280-W292 HydrophobicContact CB-CB 4.03Å; W280-W292 HydrophobicContact CB-CD2 3.78Å; W280-W292 HydrophobicContact CB-CE3 4.42Å; W280-W292 HydrophobicContact CB-CG 3.57Å; W280-W292 HydrophobicContact CD2-CD2 4.43Å; W280-W292 HydrophobicContact CD2-CE3 4.21Å; W280-W292 HydrophobicContact CE3-CB 4.38Å; W280-W292 AromaticContact CG-CD2 3.97Å; W280-W292 HydrophobicContact CG-CD2 3.97Å; W280-W292 HydrophobicContact CG-CE3 4.11Å; W280-W292 HydrophobicContact CG-CG 4.19Å; R288-W292 WeakPolarHBondContact O-CB 3.38Å; R288-W292 PolarHBondContact O-N 3.34Å; R289-W292 PolarHBondContact O-N 3.31Å; W292-K294 PolarHBondContact O-N 2.86Å; W292-K294 VanDerWaalsContact O-N 3.16Å; W292-L295 PolarHBondContact O-N 3.42Å; W292-L295 VanDerWaalsContact O-N 3.1Å; W292-I296 HydrophobicContact CD2-CG2 3.62Å; W292-I296 VanDerWaalsContact CE2-CG2 3.49Å; W292-I296 HydrophobicContact CE3-CG2 3.69Å; W292-I296 HydrophobicContact CG-CG2 4.42Å; W292-I296 HydrophobicContact CH2-CG2 3.51Å; W292-I296 HydrophobicContact CZ2-CG2 3.46Å; W292-I296 VanDerWaalsContact CZ2-CG2 3.46Å; W292-I296 HydrophobicContact CZ3-CG2 3.62Å; W292-I296 WeakPolarHBondContact O-CG1 3.17Å; W292-I296 PolarHBondContact O-N 3.42Å |
| 293 | A | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.9 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | R289 K290 Q297 L364 | R289-A293 WeakPolarHBondContact O-CB 3.13Å; R289-A293 PolarHBondContact O-N 3.24Å; K290-A293 PolarHBondContact O-N 2.84Å; A293-Q297 VanDerWaalsContact O-CG 3.25Å; A293-Q297 WeakPolarHBondContact O-CG 3.42Å; A293-Q297 PolarHBondContact O-NE2 3.41Å; A293-L364 HydrophobicContact CB-CD1 3.88Å |
| 294 | K | 97.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 30.8 Ų | 30.8 | 33% | 0.326 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -77 | -31.9 | 179.8 | -80.5 | -170 | 176.3 | -166.7 | 0 | 113.8 | I250 K290 F291 W292 Q297 R298 | I250-K294 HydrophobicContact CD1-CB 3.95Å; I250-K294 HydrophobicContact CG1-CB 4.29Å; I250-K294 HydrophobicContact CG2-CB 4.22Å; K290-K294 WeakPolarHBondContact O-CB 3.19Å; K290-K294 WeakPolarHBondContact O-CG 3.27Å; K290-K294 PolarHBondContact O-N 3.32Å; F291-K294 CarbonylContact O-C 3.18Å; F291-K294 PolarHBondContact O-N 3.3Å; F291-K294 VanDerWaalsContact O-N 3.14Å; W292-K294 PolarHBondContact O-N 2.86Å; W292-K294 VanDerWaalsContact O-N 3.16Å; K294-Q297 VanDerWaalsContact O-CG 3.23Å; K294-Q297 WeakPolarHBondContact O-CG 2.96Å; K294-R298 WeakPolarHBondContact O-CG 3.24Å |
| 295 | L | 97 | Very high | 93.8 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -77.4 | -53 | -179.8 | -179.9 | 56.6 | 0 | 0 | 0 | 110 | L249 I250 F253 L272 F291 W292 Q297 R298 I299 | L249-L295 HydrophobicContact CB-CD1 3.96Å; L249-L295 HydrophobicContact CB-CD2 4.3Å; L249-L295 HydrophobicContact CD1-CD2 4.27Å; I250-L295 HydrophobicContact CG1-CB 3.81Å; I250-L295 HydrophobicContact CG1-CD1 4.25Å; F253-L295 HydrophobicContact CD2-CD1 3.88Å; F253-L295 HydrophobicContact CE2-CD1 4.48Å; F253-L295 HydrophobicContact CG-CD1 4.41Å; L272-L295 HydrophobicContact CD1-CD2 3.54Å; F291-L295 WeakPolarHBondContact O-CB 3.33Å; F291-L295 PolarHBondContact O-N 3.42Å; W292-L295 PolarHBondContact O-N 3.42Å; W292-L295 VanDerWaalsContact O-N 3.1Å; L295-Q297 VanDerWaalsContact C-N 3.29Å; L295-Q297 PolarHBondContact O-N 3.36Å; L295-R298 WeakPolarHBondContact O-CA 3.34Å; L295-R298 WeakPolarHBondContact O-CB 3.37Å; L295-R298 PolarHBondContact O-N 3.4Å; L295-I299 HydrophobicContact CD1-CD1 4.13Å; L295-I299 HydrophobicContact CD1-CG1 4.24Å; L295-I299 HydrophobicContact CG-CD1 3.89Å; L295-I299 HydrophobicContact CG-CG1 4.39Å; L295-I299 PolarHBondContact O-N 3.33Å |
| 296 | I | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -34.5 | -175.4 | 69.4 | -176.3 | 0 | 0 | 0 | 112.6 | Y269 W292 R298 I299 G300 I357 T360 L361 L364 | Y269-I296 HydrophobicContact CD2-CG2 4.1Å; Y269-I296 HydrophobicContact CE2-CB 4.4Å; Y269-I296 HydrophobicContact CE2-CG2 3.86Å; W292-I296 HydrophobicContact CD2-CG2 3.62Å; W292-I296 VanDerWaalsContact CE2-CG2 3.49Å; W292-I296 HydrophobicContact CE3-CG2 3.69Å; W292-I296 HydrophobicContact CG-CG2 4.42Å; W292-I296 HydrophobicContact CH2-CG2 3.51Å; W292-I296 HydrophobicContact CZ2-CG2 3.46Å; W292-I296 VanDerWaalsContact CZ2-CG2 3.46Å; W292-I296 HydrophobicContact CZ3-CG2 3.62Å; W292-I296 WeakPolarHBondContact O-CG1 3.17Å; W292-I296 PolarHBondContact O-N 3.42Å; I296-R298 PolarHBondContact O-N 3.09Å; I296-I299 PolarHBondContact O-N 3.4Å; I296-G300 PolarHBondContact O-N 2.99Å; I296-I357 HydrophobicContact CB-CG1 4.41Å; I296-I357 HydrophobicContact CB-CG2 4.26Å; I296-I357 HydrophobicContact CG1-CG2 4.21Å; I296-T360 HydrophobicContact CD1-CG2 3.57Å; I296-L361 HydrophobicContact CD1-CD2 3.85Å; I296-L361 HydrophobicContact CD1-CG 4.11Å; I296-L361 HydrophobicContact CG1-CD2 3.91Å; I296-L361 HydrophobicContact CG1-CG 4.33Å; I296-L364 HydrophobicContact CD1-CD1 4.26Å |
| 297 | Q | 96.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -24.3 | 174 | 69.3 | 180 | -118.8 | 0 | 0 | 113 | A293 K294 L295 M301 L361 S375 G379 | A293-Q297 VanDerWaalsContact O-CG 3.25Å; A293-Q297 WeakPolarHBondContact O-CG 3.42Å; A293-Q297 PolarHBondContact O-NE2 3.41Å; K294-Q297 VanDerWaalsContact O-CG 3.23Å; K294-Q297 WeakPolarHBondContact O-CG 2.96Å; L295-Q297 VanDerWaalsContact C-N 3.29Å; L295-Q297 PolarHBondContact O-N 3.36Å; Q297-M301 WeakPolarHBondContact O-CG 2.99Å; Q297-M301 PolarHBondContact O-N 3.43Å; Q297-L361 HydrophobicContact CB-CD1 4.31Å; Q297-S375 PolarHBondContact NE2-O 2.96Å; Q297-G379 VanDerWaalsContact NE2-CA 3.32Å |
| 298 | R | 96.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 17% | 0.174 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -83.2 | -41.5 | 177.4 | -63 | -69.5 | 179 | -177.2 | 3.6 | 110.2 | F253 K294 L295 I296 G300 M301 V302 R382 | F253-R298 HydrophobicContact CB-CB 3.63Å; K294-R298 WeakPolarHBondContact O-CG 3.24Å; L295-R298 WeakPolarHBondContact O-CA 3.34Å; L295-R298 WeakPolarHBondContact O-CB 3.37Å; L295-R298 PolarHBondContact O-N 3.4Å; I296-R298 PolarHBondContact O-N 3.09Å; R298-G300 VanDerWaalsContact C-N 3.34Å; R298-M301 CarbonylContact O-C 3.57Å; R298-M301 WeakPolarHBondContact O-CA 3.43Å; R298-M301 WeakPolarHBondContact O-CB 3.44Å; R298-M301 PolarHBondContact O-N 2.9Å; R298-M301 VanDerWaalsContact O-N 3.13Å; R298-V302 PolarHBondContact O-N 3.41Å; R298-V302 VanDerWaalsContact O-N 3.12Å; R298-R382 VanDerWaalsContact NH2-CZ 3.31Å |
| 299 | I | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 169.6 | -63.7 | 178 | 0 | 0 | 0 | 110.4 | F253 A265 I268 Y269 L295 I296 M301 V302 F303 I357 | F253-I299 HydrophobicContact CD1-CG1 3.82Å; F253-I299 HydrophobicContact CD2-CG1 4.36Å; F253-I299 HydrophobicContact CE1-CB 4.48Å; F253-I299 HydrophobicContact CE1-CG1 3.75Å; F253-I299 HydrophobicContact CE2-CG1 4.29Å; F253-I299 HydrophobicContact CG-CG1 4.14Å; F253-I299 HydrophobicContact CZ-CD1 4.47Å; F253-I299 HydrophobicContact CZ-CG1 3.99Å; A265-I299 HydrophobicContact CB-CG2 4.16Å; I268-I299 HydrophobicContact CG2-CD1 4.4Å; Y269-I299 HydrophobicContact CD2-CD1 4.46Å; L295-I299 HydrophobicContact CD1-CD1 4.13Å; L295-I299 HydrophobicContact CD1-CG1 4.24Å; L295-I299 HydrophobicContact CG-CD1 3.89Å; L295-I299 HydrophobicContact CG-CG1 4.39Å; L295-I299 PolarHBondContact O-N 3.33Å; I296-I299 PolarHBondContact O-N 3.4Å; I299-M301 PolarHBondContact O-N 3.06Å; I299-V302 WeakPolarHBondContact O-CA 3.32Å; I299-V302 WeakPolarHBondContact O-CB 3.18Å; I299-V302 PolarHBondContact O-N 2.72Å; I299-F303 HydrophobicContact CG2-CD2 4.29Å; I299-F303 HydrophobicContact CG2-CE2 3.55Å; I299-F303 HydrophobicContact CG2-CZ 3.96Å; I299-F303 PolarHBondContact O-N 3.26Å; I299-I357 HydrophobicContact CG2-CD1 4.3Å |
| 300 | G | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -34.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I296 R298 V302 F303 L304 | I296-G300 PolarHBondContact O-N 2.99Å; R298-G300 VanDerWaalsContact C-N 3.34Å; G300-V302 VanDerWaalsContact C-N 3.3Å; G300-V302 PolarHBondContact O-N 2.85Å; G300-F303 PolarHBondContact O-N 3.11Å; G300-L304 PolarHBondContact O-N 2.99Å |
| 301 | M | 94.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.8 | -13.8 | 173 | -68.9 | -69.5 | -78.3 | 0 | 0 | 113.6 | Q297 R298 I299 R382 I383 R386 | Q297-M301 WeakPolarHBondContact O-CG 2.99Å; Q297-M301 PolarHBondContact O-N 3.43Å; R298-M301 CarbonylContact O-C 3.57Å; R298-M301 WeakPolarHBondContact O-CA 3.43Å; R298-M301 WeakPolarHBondContact O-CB 3.44Å; R298-M301 PolarHBondContact O-N 2.9Å; R298-M301 VanDerWaalsContact O-N 3.13Å; I299-M301 PolarHBondContact O-N 3.06Å; M301-R382 HydrophobicContact CE-CB 4.08Å; M301-R382 HydrophobicContact CG-CB 4.35Å; M301-R382 VanDerWaalsContact SD-C 3.51Å; M301-R382 HydrophobicContact SD-CB 3.98Å; M301-I383 HydrophobicContact CG-CG1 4.49Å; M301-I383 HydrophobicContact SD-CG1 4.38Å; M301-R386 HydrophobicContact CE-CG 4.42Å; M301-R386 PolarHBondContact O-NH1 3.47Å |
| 302 | V | 94.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -81.5 | -40.5 | 171.5 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | F253 R258 L261 L262 A265 R298 I299 G300 L304 | F253-V302 HydrophobicContact CD1-CG2 3.81Å; F253-V302 HydrophobicContact CE1-CG2 4.29Å; R258-V302 HydrophobicContact CG-CG1 4.32Å; R258-V302 PolarHBondContact NE-O 2.67Å; L261-V302 HydrophobicContact CB-CG1 3.96Å; L261-V302 HydrophobicContact CB-CG2 4.19Å; L261-V302 HydrophobicContact CD1-CG2 4.12Å; L262-V302 HydrophobicContact CB-CG1 4.14Å; L262-V302 HydrophobicContact CD1-CG1 4.08Å; A265-V302 HydrophobicContact CB-CB 4.35Å; A265-V302 HydrophobicContact CB-CG1 3.98Å; R298-V302 PolarHBondContact O-N 3.41Å; R298-V302 VanDerWaalsContact O-N 3.12Å; I299-V302 WeakPolarHBondContact O-CA 3.32Å; I299-V302 WeakPolarHBondContact O-CB 3.18Å; I299-V302 PolarHBondContact O-N 2.72Å; G300-V302 VanDerWaalsContact C-N 3.3Å; G300-V302 PolarHBondContact O-N 2.85Å; V302-L304 VanDerWaalsContact C-N 3.32Å; V302-L304 PolarHBondContact O-N 3.03Å |
| 303 | F | 93.6 | Very high | 89.6 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 13% | 0.132 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 176.6 | -65.1 | -50.6 | 0 | 0 | 0 | 112.3 | R258 L262 A265 I299 G300 E353 V354 I357 | R258-F303 PolarHBondContact NH2-O 3.04Å; L262-F303 HydrophobicContact CD1-CD1 4.24Å; A265-F303 HydrophobicContact CB-CD1 4.41Å; A265-F303 HydrophobicContact CB-CE1 3.77Å; A265-F303 HydrophobicContact CB-CZ 3.94Å; I299-F303 HydrophobicContact CG2-CD2 4.29Å; I299-F303 HydrophobicContact CG2-CE2 3.55Å; I299-F303 HydrophobicContact CG2-CZ 3.96Å; I299-F303 PolarHBondContact O-N 3.26Å; G300-F303 PolarHBondContact O-N 3.11Å; F303-E353 HydrophobicContact CD2-CB 3.97Å; F303-E353 HydrophobicContact CE2-CB 3.57Å; F303-E353 HydrophobicContact CE2-CG 4.18Å; F303-E353 HydrophobicContact CZ-CB 4.01Å; F303-E353 HydrophobicContact CZ-CG 4.09Å; F303-V354 HydrophobicContact CB-CG2 3.75Å; F303-V354 HydrophobicContact CD2-CG2 4.15Å; F303-V354 HydrophobicContact CG-CG2 4.37Å; F303-I357 HydrophobicContact CD2-CD1 4.22Å; F303-I357 HydrophobicContact CE2-CD1 4.01Å |
| 304 | L | 91.1 | Very high | 88.3 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -78.7 | 125.4 | 179.4 | -61.2 | 173.9 | 0 | 0 | 0 | 111.2 | G300 V302 V354 I383 R386 L387 | G300-L304 PolarHBondContact O-N 2.99Å; V302-L304 VanDerWaalsContact C-N 3.32Å; V302-L304 PolarHBondContact O-N 3.03Å; L304-V354 HydrophobicContact CD1-CG1 4.14Å; L304-V354 HydrophobicContact CD2-CG1 4.39Å; L304-V354 HydrophobicContact CD2-CG2 4.08Å; L304-V354 HydrophobicContact CG-CG1 4.43Å; L304-V354 HydrophobicContact CG-CG2 4.07Å; L304-I383 HydrophobicContact CD1-CG2 3.83Å; L304-R386 HydrophobicContact CB-CB 4.01Å; L304-R386 HydrophobicContact CD1-CB 3.99Å; L304-R386 PolarHBondContact O-NH1 3.03Å; L304-L387 HydrophobicContact CD1-CD2 4Å; L304-L387 HydrophobicContact CD2-CD2 4.08Å |
| 305 | K | 86.1 | Confident | 86.5 | Confident | 129 Ų | 129 | 47 Ų | 47 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | P | Polyproline II helix | trans | -58.7 | 138.6 | 172.9 | -69.2 | -177.2 | -179.2 | 179.6 | 0 | 110.5 | R307 | K305-R307 PolarHBondContact O-N 2.82Š|
| 306 | P | 84.4 | Confident | 84.3 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 58% | 0.584 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 120.3 | 171.5 | -21.2 | 32.7 | 0 | 0 | 0 | 109.9 | ||
| 307 | R | 82.2 | Confident | 81.7 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | trans | -146.1 | 158.9 | 172.8 | 63.6 | 174.7 | 175.6 | 175.1 | -3.2 | 110.3 | K305 R386 L387 | K305-R307 PolarHBondContact O-N 2.82Å; R307-R386 HydrophobicContact CG-CB 4.5Å; R307-R386 PolarHBondContact NE-O 3.33Å; R307-R386 PolarHBondContact NH2-O 3.33Å; R307-L387 VanDerWaalsContact NH2-C 3.28Å | ||
| 308 | Q | 73.5 | Confident | 79.3 | Confident | 155 Ų | 155 | 63.8 Ų | 63.8 | 72% | 0.724 | 32% | 0.323 | S | S | * | . | trans | -93.7 | 128.9 | 168.7 | -174.3 | 169.7 | -15.4 | 0 | 0 | 108.2 | T310 | Q308-T310 PolarHBondContact O-N 2.76Š| ||
| 309 | A | 81.2 | Confident | 76.6 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | trans | -71.6 | 93.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | W311 A312 L427 | A309-W311 HydrophobicContact CB-CZ2 4.2Å; A309-W311 PolarHBondContact O-N 2.89Å; A309-A312 HydrophobicContact CB-CB 3.92Å; A309-A312 WeakPolarHBondContact O-CB 3.1Å; A309-A312 PolarHBondContact O-N 2.74Å; A309-L427 HydrophobicContact CB-CD2 4.33Å | ||
| 310 | T | 78.8 | Confident | 74.2 | Confident | 86 Ų | 86 | 73 Ų | 73 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.3 | -179.9 | 48 | 0 | 0 | 0 | 0 | 112.2 | Q308 A312 Q314 | Q308-T310 PolarHBondContact O-N 2.76Å; T310-A312 PolarHBondContact O-N 3.3Å; T310-Q314 PolarHBondContact O-NE2 2.58Å |
| 311 | W | 85.9 | Confident | 71.5 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.7 | 174.7 | 66.4 | -98.6 | 0 | 0 | 0 | 114.3 | A309 L387 K389 V392 L427 L429 | A309-W311 HydrophobicContact CB-CZ2 4.2Å; A309-W311 PolarHBondContact O-N 2.89Å; W311-L387 PolarHBondContact NE1-O 3.38Å; W311-L387 VanDerWaalsContact NE1-O 3.16Å; W311-K389 HydrophobicContact CB-CB 4.42Å; W311-K389 HydrophobicContact CD2-CB 3.74Å; W311-K389 HydrophobicContact CD2-CG 4.29Å; W311-K389 HydrophobicContact CE3-CB 3.97Å; W311-K389 HydrophobicContact CE3-CG 4.01Å; W311-K389 HydrophobicContact CG-CB 3.92Å; W311-V392 HydrophobicContact CH2-CB 3.62Å; W311-V392 HydrophobicContact CH2-CG1 3.82Å; W311-V392 HydrophobicContact CH2-CG2 3.63Å; W311-V392 HydrophobicContact CZ2-CB 4.01Å; W311-V392 HydrophobicContact CZ2-CG2 3.57Å; W311-L427 HydrophobicContact CH2-CB 4.34Å; W311-L427 HydrophobicContact CH2-CD2 3.61Å; W311-L427 HydrophobicContact CZ2-CD2 3.93Å; W311-L427 HydrophobicContact CZ3-CD2 4.36Å; W311-L429 HydrophobicContact CE3-CD2 4.34Å; W311-L429 HydrophobicContact CZ3-CD2 4.36Å |
| 312 | A | 84.7 | Confident | 68.9 | Low | 15 Ų | 15 | 82.3 Ų | 82.3 | 12% | 0.124 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -60.7 | 141.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | A309 T310 Q314 G426 L427 | A309-A312 HydrophobicContact CB-CB 3.92Å; A309-A312 WeakPolarHBondContact O-CB 3.1Å; A309-A312 PolarHBondContact O-N 2.74Å; T310-A312 PolarHBondContact O-N 3.3Å; A312-Q314 WeakPolarHBondContact O-CG 3.48Å; A312-Q314 PolarHBondContact O-N 2.95Å; A312-G426 CarbonylContact C-O 3.55Å; A312-G426 WeakPolarHBondContact CA-O 3.37Å; A312-G426 WeakPolarHBondContact CB-O 3.23Å; A312-L427 HydrophobicContact CB-CD2 4.06Å |
| 313 | Y | 82.3 | Confident | 66 | Low | 42 Ų | 42 | 85.6 Ų | 85.6 | 17% | 0.165 | 45% | 0.452 | C | S | . | . | trans | -62.1 | 113.9 | -177.7 | -173.5 | -91.1 | 0 | 0 | 0 | 110.5 | R315 G426 P430 A473 F474 D475 D478 | Y313-R315 HydrophobicContact CD1-CB 4.06Å; Y313-R315 HydrophobicContact CE1-CB 3.56Å; Y313-R315 PolarHBondContact O-N 3.21Å; Y313-G426 PolarHBondContact N-O 3.04Å; Y313-P430 HydrophobicContact CD2-CG 3.95Å; Y313-P430 HydrophobicContact CE2-CG 3.58Å; Y313-A473 WeakPolarHBondContact CD1-O 3.46Å; Y313-A473 WeakPolarHBondContact CE1-O 3.48Å; Y313-F474 HydrophobicContact CE1-CD1 4.49Å; Y313-D475 VanDerWaalsContact OH-CB 3.23Å; Y313-D475 WeakPolarHBondContact OH-CB 3.4Å; Y313-D475 PolarHBondContact OH-N 3.2Å; Y313-D475 PolarHBondContact OH-OD2 3.45Å; Y313-D475 VanDerWaalsContact OH-OD2 3.11Å; Y313-D478 PolarHBondContact OH-OD2 3.49Å | ||
| 314 | Q | 69 | Low | 63.6 | Low | 117 Ų | 117 | 89 Ų | 89 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | trans | -99.9 | 83.1 | -174.2 | -57 | -168.2 | 13.7 | 0 | 0 | 110.9 | T310 A312 | T310-Q314 PolarHBondContact O-NE2 2.58Å; A312-Q314 WeakPolarHBondContact O-CG 3.48Å; A312-Q314 PolarHBondContact O-N 2.95Å | ||
| 315 | R | 59.5 | Low | 61.3 | Low | 57 Ų | 57 | 92 Ų | 92 | 22% | 0.215 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -95.6 | -27.9 | 169.9 | -177.9 | 178.6 | -172 | -146.4 | 16.3 | 114.8 | Y313 F474 D475 | Y313-R315 HydrophobicContact CD1-CB 4.06Å; Y313-R315 HydrophobicContact CE1-CB 3.56Å; Y313-R315 PolarHBondContact O-N 3.21Å; R315-F474 WeakPolarHBondContact CD-O 3.13Å; R315-F474 PolarHBondContact NE-O 3.33Å; R315-F474 PolarHBondContact NH1-O 2.91Å; R315-D475 VanDerWaalsContact CD-CA 3.44Å; R315-D475 VanDerWaalsContact CD-CG 3.44Å; R315-D475 VanDerWaalsContact CD-N 3.27Å; R315-D475 WeakPolarHBondContact CD-OD1 3.21Å; R315-D475 VanDerWaalsContact CZ-CA 3.44Å; R315-D475 IonicContact CZ-OD1 4Å; R315-D475 VanDerWaalsContact NE-CA 3.26Å; R315-D475 VanDerWaalsContact NE-CG 3.26Å; R315-D475 IonicContact NE-OD1 3.75Å; R315-D475 PolarHBondContact NE-OD1 3.22Å; R315-D475 IonicContact NH2-OD1 3.59Å; R315-D475 PolarHBondContact NH2-OD1 3.38Å |
| 316 | G | 50.9 | Low | 59.2 | Low | 58 Ų | 58 | 90.6 Ų | 90.6 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | trans | -173.6 | 77.6 | -168 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 317 | T | 40.2 | Very low | 57.5 | Low | 151 Ų | 151 | 91.6 Ų | 91.6 | 93% | 0.926 | 50% | 0.498 | S | S | * | . | trans | -76.5 | 8.9 | 135.1 | 22.7 | 0 | 0 | 0 | 0 | 112.4 | S319 | T317-S319 PolarHBondContact O-N 3.21Š| ||
| 318 | R | 46 | Very low | 55.5 | Low | 155 Ų | 155 | 92.2 Ų | 92.2 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | trans | -56.8 | 121.9 | 173.9 | -72.7 | -177 | 177.3 | -177.5 | -0.9 | 110.1 | ||||
| 319 | S | 40.1 | Very low | 53.9 | Low | 68 Ų | 68 | 87.9 Ų | 87.9 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | trans | -56.5 | 144.8 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | T317 L321 V322 | T317-S319 PolarHBondContact O-N 3.21Å; S319-L321 PolarHBondContact O-N 3.43Å; S319-L321 PolarHBondContact OG-N 3.4Å; S319-V322 PolarHBondContact O-N 2.83Å; S319-V322 VanDerWaalsContact O-N 3.17Å | ||
| 320 | L | 46.4 | Very low | 51.7 | Low | 171 Ų | 171 | 90.9 Ų | 90.9 | 90% | 0.895 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -11.9 | 171 | -88.1 | 156.8 | 0 | 0 | 0 | 113.8 | ||
| 321 | L | 36.5 | Very low | 49.3 | Very low | 145 Ų | 145 | 95 Ų | 95 | 76% | 0.759 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -7.8 | -179.7 | -62.3 | 173.1 | 0 | 0 | 0 | 114.4 | S319 T323 | S319-L321 PolarHBondContact O-N 3.43Å; S319-L321 PolarHBondContact OG-N 3.4Å; L321-T323 PolarHBondContact O-N 3.17Å |
| 322 | V | 39.9 | Very low | 46.6 | Very low | 76 Ų | 76 | 99.1 Ų | 99.1 | 46% | 0.461 | 58% | 0.584 | S | S | . | * | trans | -94.8 | 93.2 | 177 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | S319 N326 | S319-V322 PolarHBondContact O-N 2.83Å; S319-V322 VanDerWaalsContact O-N 3.17Å; V322-N326 HydrophobicContact CG1-CB 4.4Å | ||
| 323 | T | 34.6 | Very low | 44.4 | Very low | 76 Ų | 76 | 103.2 Ų | 103.2 | 47% | 0.466 | 61% | 0.608 | S | S | . | * | trans | -71.3 | 148.8 | 177.6 | -44.2 | 0 | 0 | 0 | 0 | 111 | L321 S325 N326 | L321-T323 PolarHBondContact O-N 3.17Å; T323-S325 WeakPolarHBondContact CG2-OG 3.39Å; T323-S325 PolarHBondContact O-N 3.4Å; T323-N326 PolarHBondContact O-N 2.86Å | ||
| 324 | P | 41.5 | Very low | 41.7 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 66% | 0.662 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -52.6 | -28 | -179.7 | -28.4 | 34 | 0 | 0 | 0 | 115.3 | N326 I327 | P324-N326 PolarHBondContact O-N 3.43Å; P324-I327 WeakPolarHBondContact O-CB 3.31Å; P324-I327 PolarHBondContact O-N 3.06Å; P324-I327 VanDerWaalsContact O-N 3.09Å |
| 325 | S | 43.4 | Very low | 39.9 | Very low | 82 Ų | 82 | 112.9 Ų | 112.9 | 57% | 0.573 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -61.8 | -19.6 | 176.2 | 34.1 | 0 | 0 | 0 | 0 | 114.4 | T323 S328 | T323-S325 WeakPolarHBondContact CG2-OG 3.39Å; T323-S325 PolarHBondContact O-N 3.4Å; S325-S328 PolarHBondContact O-OG 2.86Å |
| 326 | N | 42.5 | Very low | 38.8 | Very low | 99 Ų | 99 | 114.5 Ų | 114.5 | 53% | 0.529 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -87.6 | -7.9 | 176.2 | -71.7 | 0.4 | 0 | 0 | 0 | 113.3 | V322 T323 P324 | V322-N326 HydrophobicContact CG1-CB 4.4Å; T323-N326 PolarHBondContact O-N 2.86Å; P324-N326 PolarHBondContact O-N 3.43Å |
| 327 | I | 48.1 | Very low | 38 | Very low | 111 Ų | 111 | 120 Ų | 120 | 57% | 0.569 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -21.8 | -179.6 | -56.7 | 175.1 | 0 | 0 | 0 | 111.3 | P324 A329 | P324-I327 WeakPolarHBondContact O-CB 3.31Å; P324-I327 PolarHBondContact O-N 3.06Å; P324-I327 VanDerWaalsContact O-N 3.09Å; I327-A329 VanDerWaalsContact C-N 3.26Å; I327-A329 PolarHBondContact O-N 3.41Å |
| 328 | S | 39.6 | Very low | 38.1 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -11.8 | 174.9 | 29.8 | 0 | 0 | 0 | 0 | 114.4 | S325 | S325-S328 PolarHBondContact O-OG 2.86Š|
| 329 | A | 40.8 | Very low | 37.7 | Very low | 63 Ų | 63 | 117.2 Ų | 117.2 | 52% | 0.521 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -85.6 | 111.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | I327 E331 | I327-A329 VanDerWaalsContact C-N 3.26Å; I327-A329 PolarHBondContact O-N 3.41Å; A329-E331 PolarHBondContact O-N 3.43Å |
| 330 | G | 34.1 | Very low | 37.8 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -64.1 | 60.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T332 | G330-T332 VanDerWaalsContact C-N 3.28Å; G330-T332 PolarHBondContact O-N 3.48Å | ||
| 331 | E | 30.3 | Very low | 37.8 | Very low | 171 Ų | 171 | 120.5 Ų | 120.5 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | trans | -67 | 93.5 | 160.7 | -74.9 | -175.7 | 168.8 | 0 | 0 | 107.2 | A329 V333 | A329-E331 PolarHBondContact O-N 3.43Å; E331-V333 VanDerWaalsContact C-N 3.29Å; E331-V333 PolarHBondContact O-N 2.73Å | ||
| 332 | T | 29.2 | Very low | 38.2 | Very low | 135 Ų | 135 | 120 Ų | 120 | 83% | 0.828 | 68% | 0.679 | S | S | * | * | trans | -49.7 | 100.4 | 154.3 | 34 | 0 | 0 | 0 | 0 | 107.5 | G330 E334 | G330-T332 VanDerWaalsContact C-N 3.28Å; G330-T332 PolarHBondContact O-N 3.48Å; T332-E334 PolarHBondContact O-N 2.8Å; T332-E334 VanDerWaalsContact O-N 3.08Å | ||
| 333 | V | 36.4 | Very low | 38.4 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 62% | 0.618 | 70% | 0.697 | S | S | * | * | trans | -60.2 | 112.2 | 165.6 | 178.8 | 0 | 0 | 0 | 0 | 105.2 | E331 E335 | E331-V333 VanDerWaalsContact C-N 3.29Å; E331-V333 PolarHBondContact O-N 2.73Å; V333-E335 PolarHBondContact O-N 3.41Å | ||
| 334 | E | 27.5 | Very low | 39.1 | Very low | 179 Ų | 179 | 124.5 Ų | 124.5 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 116.2 | 168.5 | -71.7 | -179 | 155.4 | 0 | 0 | 107.7 | T332 P336 | T332-E334 PolarHBondContact O-N 2.8Å; T332-E334 VanDerWaalsContact O-N 3.08Å; E334-P336 WeakPolarHBondContact O-CD 3.41Å; E334-P336 VanDerWaalsContact O-N 3.15Å |
| 335 | E | 30.1 | Very low | 39.3 | Very low | 182 Ų | 182 | 121.3 Ų | 121.3 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -56 | 120 | 165.7 | -84.7 | 180 | 154.8 | 0 | 0 | 106.5 | V333 L337 | V333-E335 PolarHBondContact O-N 3.41Å; E335-L337 PolarHBondContact O-N 3.4Å |
| 336 | P | 36.1 | Very low | 39.3 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 59% | 0.591 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 120.4 | 178.9 | 19.6 | -23.4 | 0 | 0 | 0 | 107.4 | E334 A338 | E334-P336 WeakPolarHBondContact O-CD 3.41Å; E334-P336 VanDerWaalsContact O-N 3.15Å; P336-A338 VanDerWaalsContact C-N 3.34Å; P336-A338 PolarHBondContact O-N 2.96Å |
| 337 | L | 34.7 | Very low | 39.6 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 92% | 0.916 | 71% | 0.705 | S | S | * | * | trans | -35.5 | 92.9 | 171.4 | -74.1 | 152.6 | 0 | 0 | 0 | 110.6 | E335 E339 | E335-L337 PolarHBondContact O-N 3.4Å; L337-E339 PolarHBondContact O-N 3.28Å | ||
| 338 | A | 42.2 | Very low | 39.8 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 57% | 0.57 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -80 | -4.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P336 | P336-A338 VanDerWaalsContact C-N 3.34Å; P336-A338 PolarHBondContact O-N 2.96Å |
| 339 | E | 38 | Very low | 41 | Very low | 178 Ų | 178 | 127.3 Ų | 127.3 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -92.3 | 2.8 | -162.3 | -67.9 | -172.4 | 161.5 | 0 | 0 | 116.6 | L337 | L337-E339 PolarHBondContact O-N 3.28Š|
| 340 | K | 42.5 | Very low | 42.6 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 87% | 0.865 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -106.1 | -8.8 | -178.5 | -75.6 | -169.1 | 176.9 | -178.9 | 0 | 117.4 | ||
| 341 | D | 45.7 | Very low | 45 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 58% | 0.578 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -116 | -2.7 | -179.5 | -89.8 | -22.7 | 0 | 0 | 0 | 114.6 | C345 | D341-C345 PolarHBondContact O-N 3.13Š|
| 342 | E | 44.7 | Very low | 47.7 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -69.5 | -36.4 | 179.5 | -70.8 | -163.7 | 156.9 | 0 | 0 | 113 | A344 C345 M346 | E342-A344 VanDerWaalsContact C-N 3.34Å; E342-A344 PolarHBondContact O-N 3.31Å; E342-C345 VanDerWaalsContact O-CB 3.27Å; E342-C345 WeakPolarHBondContact O-CB 3.24Å; E342-C345 PolarHBondContact O-N 3.42Å; E342-M346 PolarHBondContact O-N 2.84Å |
| 343 | E | 45.3 | Very low | 50.7 | Low | 178 Ų | 178 | 118.2 Ų | 118.2 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.9 | -36.9 | 178.5 | -73.7 | -174 | 161.1 | 0 | 0 | 112.3 | C345 | E343-C345 PolarHBondContact O-N 3.3Å |
| 344 | A | 49.2 | Very low | 53.4 | Low | 68 Ų | 68 | 113.3 Ų | 113.3 | 56% | 0.562 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.2 | -13.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E342 | E342-A344 VanDerWaalsContact C-N 3.34Å; E342-A344 PolarHBondContact O-N 3.31Å |
| 345 | C | 44.5 | Very low | 56.5 | Low | 35 Ų | 35 | 108.4 Ų | 108.4 | 24% | 0.236 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -86.8 | -27.8 | -175.7 | -164.3 | 0 | 0 | 0 | 0 | 113.2 | D341 E342 E343 | D341-C345 PolarHBondContact O-N 3.13Å; E342-C345 VanDerWaalsContact O-CB 3.27Å; E342-C345 WeakPolarHBondContact O-CB 3.24Å; E342-C345 PolarHBondContact O-N 3.42Å; E343-C345 PolarHBondContact O-N 3.3Å |
| 346 | M | 44.8 | Very low | 59.5 | Low | 166 Ų | 166 | 103 Ų | 103 | 82% | 0.818 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.1 | -31.4 | -177.7 | -72.7 | -98.1 | -78.8 | 0 | 0 | 113.1 | E342 | E342-M346 PolarHBondContact O-N 2.84Å |
| 347 | D | 47.7 | Very low | 62.3 | Low | 145 Ų | 145 | 98.7 Ų | 98.7 | 78% | 0.775 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 3.4 | -165.3 | -79 | -14.1 | 0 | 0 | 0 | 116.4 | ||
| 348 | Q | 53.3 | Low | 65.3 | Low | 112 Ų | 112 | 90.8 Ų | 90.8 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | trans | -100.1 | 95.4 | 175.1 | -80.6 | -180 | 18.9 | 0 | 0 | 112.2 | ||||
| 349 | S | 64.2 | Low | 67.8 | Low | 105 Ų | 105 | 91.6 Ų | 91.6 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -53 | 137.4 | 158.7 | 56.4 | 0 | 0 | 0 | 0 | 110.2 | T351 | S349-T351 PolarHBondContact O-N 3.32Š|
| 350 | L | 74.9 | Confident | 70.5 | Confident | 38 Ų | 38 | 84.3 Ų | 84.3 | 20% | 0.199 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -52 | 127.3 | 169.8 | -165.5 | 65.1 | 0 | 0 | 0 | 108.7 | V354 D355 L358 L387 L391 | L350-V354 HydrophobicContact CD1-CB 3.9Å; L350-V354 HydrophobicContact CD1-CG1 3.49Å; L350-V354 VanDerWaalsContact CD1-CG1 3.49Å; L350-V354 HydrophobicContact CG-CB 4.21Å; L350-V354 HydrophobicContact CG-CG1 4.23Å; L350-D355 HydrophobicContact CD2-CB 3.53Å; L350-D355 WeakPolarHBondContact CD2-OD1 3.43Å; L350-D355 HydrophobicContact CG-CB 4.08Å; L350-L358 HydrophobicContact CD2-CD1 4.28Å; L350-L387 HydrophobicContact CD1-CD1 4.45Å; L350-L387 HydrophobicContact CD1-CD2 3.63Å; L350-L391 HydrophobicContact CB-CD1 4.39Å; L350-L391 HydrophobicContact CD1-CD1 4.31Å |
| 351 | T | 84.2 | Confident | 73.1 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 31% | 0.307 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 144 | 175.9 | 82.1 | 0 | 0 | 0 | 0 | 108.6 | S349 E353 V354 D355 | S349-T351 PolarHBondContact O-N 3.32Å; T351-E353 WeakPolarHBondContact CB-OE2 3.35Å; T351-E353 PolarHBondContact O-N 2.95Å; T351-E353 VanDerWaalsContact O-N 3.08Å; T351-E353 PolarHBondContact OG1-OE2 3.11Å; T351-V354 PolarHBondContact O-N 2.89Å; T351-V354 WeakPolarHBondContact OG1-CG2 3.4Å; T351-V354 PolarHBondContact OG1-N 3.45Å; T351-D355 PolarHBondContact O-N 3.43Å; T351-D355 VanDerWaalsContact O-N 3.12Å |
| 352 | P | 87.5 | Confident | 75.5 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 67% | 0.669 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -51.5 | -35.9 | -178.9 | -28 | 35.2 | 0 | 0 | 0 | 113.1 | D355 E356 | P352-D355 PolarHBondContact O-N 3.18Å; P352-E356 WeakPolarHBondContact O-CB 3.47Å; P352-E356 PolarHBondContact O-N 3.49Å |
| 353 | E | 90.7 | Very high | 77.9 | Confident | 64 Ų | 64 | 68.1 Ų | 68.1 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 178.2 | -53.4 | 81.3 | 178.4 | 0 | 0 | 112.3 | F303 T351 I357 | F303-E353 HydrophobicContact CD2-CB 3.97Å; F303-E353 HydrophobicContact CE2-CB 3.57Å; F303-E353 HydrophobicContact CE2-CG 4.18Å; F303-E353 HydrophobicContact CZ-CB 4.01Å; F303-E353 HydrophobicContact CZ-CG 4.09Å; T351-E353 WeakPolarHBondContact CB-OE2 3.35Å; T351-E353 PolarHBondContact O-N 2.95Å; T351-E353 VanDerWaalsContact O-N 3.08Å; T351-E353 PolarHBondContact OG1-OE2 3.11Å; E353-I357 WeakPolarHBondContact O-CB 3.43Å; E353-I357 WeakPolarHBondContact O-CD1 3.49Å; E353-I357 WeakPolarHBondContact O-CG1 3.46Å; E353-I357 PolarHBondContact O-N 3.26Å |
| 354 | V | 93 | Very high | 80.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.7 | -39 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | F303 L304 L350 T351 I357 L358 I383 | F303-V354 HydrophobicContact CB-CG2 3.75Å; F303-V354 HydrophobicContact CD2-CG2 4.15Å; F303-V354 HydrophobicContact CG-CG2 4.37Å; L304-V354 HydrophobicContact CD1-CG1 4.14Å; L304-V354 HydrophobicContact CD2-CG1 4.39Å; L304-V354 HydrophobicContact CD2-CG2 4.08Å; L304-V354 HydrophobicContact CG-CG1 4.43Å; L304-V354 HydrophobicContact CG-CG2 4.07Å; L350-V354 HydrophobicContact CD1-CB 3.9Å; L350-V354 HydrophobicContact CD1-CG1 3.49Å; L350-V354 VanDerWaalsContact CD1-CG1 3.49Å; L350-V354 HydrophobicContact CG-CB 4.21Å; L350-V354 HydrophobicContact CG-CG1 4.23Å; T351-V354 PolarHBondContact O-N 2.89Å; T351-V354 WeakPolarHBondContact OG1-CG2 3.4Å; T351-V354 PolarHBondContact OG1-N 3.45Å; V354-I357 PolarHBondContact O-N 3.02Å; V354-L358 HydrophobicContact CG1-CD1 4.42Å; V354-L358 WeakPolarHBondContact O-CG 3.43Å; V354-L358 PolarHBondContact O-N 3.21Å; V354-I383 HydrophobicContact CG1-CG2 3.94Å |
| 355 | D | 93.5 | Very high | 82.5 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 173.8 | -170 | 64 | 0 | 0 | 0 | 111.3 | L350 T351 P352 I357 L358 N359 | L350-D355 HydrophobicContact CD2-CB 3.53Å; L350-D355 WeakPolarHBondContact CD2-OD1 3.43Å; L350-D355 HydrophobicContact CG-CB 4.08Å; T351-D355 PolarHBondContact O-N 3.43Å; T351-D355 VanDerWaalsContact O-N 3.12Å; P352-D355 PolarHBondContact O-N 3.18Å; D355-I357 VanDerWaalsContact C-N 3.35Å; D355-I357 PolarHBondContact O-N 3.44Å; D355-L358 PolarHBondContact O-N 3.47Å; D355-N359 PolarHBondContact O-N 3.26Å; D355-N359 PolarHBondContact O-ND2 2.94Å; D355-N359 PolarHBondContact OD2-ND2 3.22Å |
| 356 | E | 93.6 | Very high | 84.9 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 33% | 0.327 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 177.9 | -174.5 | 168.7 | -138.2 | 0 | 0 | 112.9 | Y269 K273 P352 N359 T360 | Y269-E356 WeakPolarHBondContact OH-CG 3.46Å; Y269-E356 PolarHBondContact OH-OE2 3.36Å; K273-E356 VanDerWaalsContact CE-OE1 3.32Å; K273-E356 WeakPolarHBondContact CE-OE1 3.37Å; K273-E356 IonicContact NZ-OE1 2.64Å; K273-E356 PolarHBondContact NZ-OE1 3.44Å; K273-E356 IonicContact NZ-OE2 2.8Å; K273-E356 PolarHBondContact NZ-OE2 3.22Å; P352-E356 WeakPolarHBondContact O-CB 3.47Å; P352-E356 PolarHBondContact O-N 3.49Å; E356-N359 PolarHBondContact O-N 2.98Å; E356-T360 WeakPolarHBondContact O-CB 3.4Å; E356-T360 PolarHBondContact O-N 3.13Å; E356-T360 PolarHBondContact O-OG1 3.12Å |
| 357 | I | 95.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 174.4 | -73.3 | 166.6 | 0 | 0 | 0 | 110.5 | Y269 I296 I299 F303 E353 V354 D355 T360 L361 I383 | Y269-I357 HydrophobicContact CD2-CG1 4.46Å; Y269-I357 HydrophobicContact CE2-CD1 4.38Å; Y269-I357 HydrophobicContact CE2-CG1 3.84Å; I296-I357 HydrophobicContact CB-CG1 4.41Å; I296-I357 HydrophobicContact CB-CG2 4.26Å; I296-I357 HydrophobicContact CG1-CG2 4.21Å; I299-I357 HydrophobicContact CG2-CD1 4.3Å; F303-I357 HydrophobicContact CD2-CD1 4.22Å; F303-I357 HydrophobicContact CE2-CD1 4.01Å; E353-I357 WeakPolarHBondContact O-CB 3.43Å; E353-I357 WeakPolarHBondContact O-CD1 3.49Å; E353-I357 WeakPolarHBondContact O-CG1 3.46Å; E353-I357 PolarHBondContact O-N 3.26Å; V354-I357 PolarHBondContact O-N 3.02Å; D355-I357 VanDerWaalsContact C-N 3.35Å; D355-I357 PolarHBondContact O-N 3.44Å; I357-T360 PolarHBondContact O-N 3.2Å; I357-L361 HydrophobicContact CG2-CD1 4.01Å; I357-L361 HydrophobicContact CG2-CG 4.35Å; I357-L361 VanDerWaalsContact O-CG 3.27Å; I357-L361 WeakPolarHBondContact O-CG 3.34Å; I357-L361 PolarHBondContact O-N 3.08Å; I357-I383 HydrophobicContact CG2-CD1 3.83Å |
| 358 | L | 96 | Very high | 89.3 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.5 | -79.4 | 173.2 | 0 | 0 | 0 | 111.3 | L350 V354 D355 T360 L361 F362 I380 I383 L387 | L350-L358 HydrophobicContact CD2-CD1 4.28Å; V354-L358 HydrophobicContact CG1-CD1 4.42Å; V354-L358 WeakPolarHBondContact O-CG 3.43Å; V354-L358 PolarHBondContact O-N 3.21Å; D355-L358 PolarHBondContact O-N 3.47Å; L358-T360 VanDerWaalsContact C-N 3.32Å; L358-T360 PolarHBondContact O-N 3.13Å; L358-L361 PolarHBondContact O-N 2.67Å; L358-L361 VanDerWaalsContact O-N 3.14Å; L358-F362 WeakPolarHBondContact O-CD2 3.47Å; L358-F362 PolarHBondContact O-N 2.67Å; L358-I380 HydrophobicContact CD2-CG1 4.28Å; L358-I380 HydrophobicContact CD2-CG2 4.49Å; L358-I383 HydrophobicContact CD1-CG2 4.16Å; L358-I383 HydrophobicContact CD2-CB 4.2Å; L358-I383 HydrophobicContact CD2-CD1 4.18Å; L358-I383 HydrophobicContact CD2-CG2 3.77Å; L358-I383 HydrophobicContact CG-CG2 4.04Å; L358-L387 HydrophobicContact CD1-CD1 4.1Å |
| 359 | N | 95.1 | Very high | 91.2 | Very high | 87 Ų | 87 | 51 Ų | 51 | 47% | 0.465 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58 | -44.6 | 175.8 | -73.5 | -38.2 | 0 | 0 | 0 | 111.4 | D355 E356 L361 F362 V363 | D355-N359 PolarHBondContact O-N 3.26Å; D355-N359 PolarHBondContact O-ND2 2.94Å; D355-N359 PolarHBondContact OD2-ND2 3.22Å; E356-N359 PolarHBondContact O-N 2.98Å; N359-L361 PolarHBondContact O-N 3.32Å; N359-F362 PolarHBondContact O-N 3.18Å; N359-V363 WeakPolarHBondContact O-CG2 3.15Å; N359-V363 PolarHBondContact O-N 2.96Å |
| 360 | T | 95 | Very high | 92.7 | Very high | 24 Ų | 24 | 49 Ų | 49 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | I296 E356 I357 L358 V363 L364 | I296-T360 HydrophobicContact CD1-CG2 3.57Å; E356-T360 WeakPolarHBondContact O-CB 3.4Å; E356-T360 PolarHBondContact O-N 3.13Å; E356-T360 PolarHBondContact O-OG1 3.12Å; I357-T360 PolarHBondContact O-N 3.2Å; L358-T360 VanDerWaalsContact C-N 3.32Å; L358-T360 PolarHBondContact O-N 3.13Å; T360-V363 WeakPolarHBondContact O-CB 3.17Å; T360-V363 PolarHBondContact O-N 3.13Å; T360-L364 HydrophobicContact CG2-CD1 4.21Å; T360-L364 WeakPolarHBondContact O-CG 3.3Å; T360-L364 PolarHBondContact O-N 3.04Å; T360-L364 VanDerWaalsContact O-N 3.07Å |
| 361 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 176.1 | -68.8 | 173.1 | 0 | 0 | 0 | 111.6 | I296 Q297 I357 L358 N359 V363 L364 L365 A376 I380 I383 | I296-L361 HydrophobicContact CD1-CD2 3.85Å; I296-L361 HydrophobicContact CD1-CG 4.11Å; I296-L361 HydrophobicContact CG1-CD2 3.91Å; I296-L361 HydrophobicContact CG1-CG 4.33Å; Q297-L361 HydrophobicContact CB-CD1 4.31Å; I357-L361 HydrophobicContact CG2-CD1 4.01Å; I357-L361 HydrophobicContact CG2-CG 4.35Å; I357-L361 VanDerWaalsContact O-CG 3.27Å; I357-L361 WeakPolarHBondContact O-CG 3.34Å; I357-L361 PolarHBondContact O-N 3.08Å; L358-L361 PolarHBondContact O-N 2.67Å; L358-L361 VanDerWaalsContact O-N 3.14Å; N359-L361 PolarHBondContact O-N 3.32Å; L361-V363 VanDerWaalsContact C-N 3.33Å; L361-V363 PolarHBondContact O-N 2.76Å; L361-L364 CarbonylContact O-C 3.56Å; L361-L364 PolarHBondContact O-N 2.89Å; L361-L364 VanDerWaalsContact O-N 3.13Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 3.13Å; L361-A376 HydrophobicContact CD2-CB 4.28Å; L361-I380 HydrophobicContact CB-CD1 4.01Å; L361-I380 HydrophobicContact CB-CG1 3.77Å; L361-I380 HydrophobicContact CD1-CG1 4.02Å; L361-I383 HydrophobicContact CD1-CD1 3.67Å |
| 362 | F | 96 | Very high | 94.3 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -36.4 | 173.6 | -95.6 | -81.1 | 0 | 0 | 0 | 112.7 | L358 N359 L364 L365 I380 V395 L402 | L358-F362 WeakPolarHBondContact O-CD2 3.47Å; L358-F362 PolarHBondContact O-N 2.67Å; N359-F362 PolarHBondContact O-N 3.18Å; F362-L364 VanDerWaalsContact C-N 3.35Å; F362-L365 HydrophobicContact CD1-CD1 3.71Å; F362-L365 HydrophobicContact CE1-CD1 4.01Å; F362-L365 HydrophobicContact CG-CD1 4.25Å; F362-L365 WeakPolarHBondContact O-CB 3.45Å; F362-L365 PolarHBondContact O-N 2.91Å; F362-I380 HydrophobicContact CD2-CD1 4.19Å; F362-I380 HydrophobicContact CE2-CD1 4.27Å; F362-I380 HydrophobicContact CG-CD1 4.49Å; F362-V395 HydrophobicContact CE2-CG1 4.08Å; F362-V395 HydrophobicContact CZ-CG1 3.97Å; F362-L402 HydrophobicContact CD1-CD1 4.46Å; F362-L402 HydrophobicContact CE1-CD1 4.35Å |
| 363 | V | 94.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 44 Ų | 44 | 48% | 0.479 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 170.2 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | T281 N359 T360 L361 L365 R366 | T281-V363 HydrophobicContact CG2-CB 4.27Å; T281-V363 HydrophobicContact CG2-CG1 3.49Å; T281-V363 VanDerWaalsContact CG2-CG1 3.49Å; N359-V363 WeakPolarHBondContact O-CG2 3.15Å; N359-V363 PolarHBondContact O-N 2.96Å; T360-V363 WeakPolarHBondContact O-CB 3.17Å; T360-V363 PolarHBondContact O-N 3.13Å; L361-V363 VanDerWaalsContact C-N 3.33Å; L361-V363 PolarHBondContact O-N 2.76Å; V363-L365 VanDerWaalsContact C-N 3.29Å; V363-L365 PolarHBondContact O-N 3.24Å; V363-R366 WeakPolarHBondContact O-CB 3.29Å; V363-R366 PolarHBondContact O-N 3.24Å |
| 364 | L | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.2 | -18.2 | 179.6 | -67.7 | 163.9 | 0 | 0 | 0 | 114.1 | T281 A293 I296 T360 L361 F362 R366 D367 V372 A376 | T281-L364 HydrophobicContact CG2-CD2 3.87Å; T281-L364 HydrophobicContact CG2-CG 4.13Å; A293-L364 HydrophobicContact CB-CD1 3.88Å; I296-L364 HydrophobicContact CD1-CD1 4.26Å; T360-L364 HydrophobicContact CG2-CD1 4.21Å; T360-L364 WeakPolarHBondContact O-CG 3.3Å; T360-L364 PolarHBondContact O-N 3.04Å; T360-L364 VanDerWaalsContact O-N 3.07Å; L361-L364 CarbonylContact O-C 3.56Å; L361-L364 PolarHBondContact O-N 2.89Å; L361-L364 VanDerWaalsContact O-N 3.13Å; F362-L364 VanDerWaalsContact C-N 3.35Å; L364-R366 PolarHBondContact O-N 3.09Å; L364-D367 WeakPolarHBondContact O-CB 3.24Å; L364-D367 PolarHBondContact O-N 2.94Å; L364-V372 HydrophobicContact CB-CG1 4.23Å; L364-V372 HydrophobicContact CD2-CG1 3.76Å; L364-A376 HydrophobicContact CB-CB 3.82Å |
| 365 | L | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.8 | 168.9 | -71.9 | 177.9 | 0 | 0 | 0 | 112.6 | L361 F362 V363 D367 R373 A376 A377 I380 L402 V418 | L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 3.13Å; F362-L365 HydrophobicContact CD1-CD1 3.71Å; F362-L365 HydrophobicContact CE1-CD1 4.01Å; F362-L365 HydrophobicContact CG-CD1 4.25Å; F362-L365 WeakPolarHBondContact O-CB 3.45Å; F362-L365 PolarHBondContact O-N 2.91Å; V363-L365 VanDerWaalsContact C-N 3.29Å; V363-L365 PolarHBondContact O-N 3.24Å; L365-D367 VanDerWaalsContact C-N 3.31Å; L365-R373 WeakPolarHBondContact O-CD 3.42Å; L365-R373 VanDerWaalsContact O-CG 3.27Å; L365-R373 WeakPolarHBondContact O-CG 3.19Å; L365-A376 HydrophobicContact CD2-CB 3.97Å; L365-A376 HydrophobicContact CG-CB 4.35Å; L365-A377 HydrophobicContact CD2-CB 3.84Å; L365-I380 HydrophobicContact CD1-CD1 3.52Å; L365-I380 HydrophobicContact CD2-CD1 4.13Å; L365-I380 HydrophobicContact CG-CD1 3.83Å; L365-L402 HydrophobicContact CD1-CD1 4.07Å; L365-V418 HydrophobicContact CD1-CG2 3.51Å; L365-V418 HydrophobicContact CD2-CG2 3.49Å; L365-V418 VanDerWaalsContact CD2-CG2 3.49Å; L365-V418 HydrophobicContact CG-CG2 4.13Å |
| 366 | R | 93.8 | Very high | 95.5 | Very high | 125 Ų | 125 | 43 Ų | 43 | 47% | 0.472 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4 | -179.4 | -51 | -179 | 178.9 | 178.7 | -1.1 | 112.3 | V363 L364 C411 | V363-R366 WeakPolarHBondContact O-CB 3.29Å; V363-R366 PolarHBondContact O-N 3.24Å; L364-R366 PolarHBondContact O-N 3.09Å; R366-C411 VanDerWaalsContact CG-SG 3.58Å |
| 367 | D | 94.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | trans | -61.3 | 148.2 | -176.9 | -163.6 | -81.6 | 0 | 0 | 0 | 112.3 | R289 L364 L365 D369 V372 R373 | R289-D367 IonicContact CZ-OD1 3.85Å; R289-D367 IonicContact CZ-OD2 3.84Å; R289-D367 IonicContact NE-OD1 2.99Å; R289-D367 IonicContact NE-OD2 2.74Å; R289-D367 PolarHBondContact NE-OD2 3Å; R289-D367 IonicContact NH2-OD1 3.96Å; R289-D367 PolarHBondContact NH2-OD1 3.24Å; R289-D367 IonicContact NH2-OD2 3Å; R289-D367 PolarHBondContact NH2-OD2 3.39Å; L364-D367 WeakPolarHBondContact O-CB 3.24Å; L364-D367 PolarHBondContact O-N 2.94Å; L365-D367 VanDerWaalsContact C-N 3.31Å; D367-D369 VanDerWaalsContact C-N 3.25Å; D367-D369 PolarHBondContact O-N 3.45Å; D367-D369 WeakPolarHBondContact OD1-CB 3.39Å; D367-D369 PolarHBondContact OD1-N 2.88Å; D367-V372 HydrophobicContact CB-CB 3.95Å; D367-V372 HydrophobicContact CB-CG1 3.78Å; D367-R373 HydrophobicContact CB-CG 4.13Å; D367-R373 WeakPolarHBondContact O-CD 3.49Å; D367-R373 WeakPolarHBondContact O-CG 3.46Å; D367-R373 PolarHBondContact O-NE 3.42Å | ||
| 368 | K | 91 | Very high | 95.8 | Very high | 154 Ų | 154 | 43.4 Ų | 43.4 | 67% | 0.67 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -64.5 | -28.5 | 177.2 | 63.6 | -175.4 | -179.3 | -178.2 | 0 | 113 | ||
| 369 | D | 93.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 43 Ų | 43 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -99.4 | 124.8 | -175.3 | -73.4 | -74.7 | 0 | 0 | 0 | 112.3 | V286 R289 D367 I371 V372 R373 | V286-D369 HydrophobicContact CG1-CB 3.71Å; V286-D369 WeakPolarHBondContact CG2-OD2 3.31Å; R289-D369 IonicContact CZ-OD2 2.76Å; R289-D369 IonicContact NH2-OD2 3.36Å; R289-D369 PolarHBondContact NH2-OD2 3.09Å; D367-D369 VanDerWaalsContact C-N 3.25Å; D367-D369 PolarHBondContact O-N 3.45Å; D367-D369 WeakPolarHBondContact OD1-CB 3.39Å; D367-D369 PolarHBondContact OD1-N 2.88Å; D369-I371 VanDerWaalsContact C-N 3.29Å; D369-I371 PolarHBondContact O-N 3.37Å; D369-V372 HydrophobicContact CB-CG2 4.06Å; D369-V372 WeakPolarHBondContact O-CB 3.18Å; D369-V372 PolarHBondContact O-N 3.1Å; D369-V372 VanDerWaalsContact O-N 3.11Å; D369-R373 PolarHBondContact O-N 3.41Å |
| 370 | T | 94.8 | Very high | 96 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.6 | -36.7 | -178.5 | -64.9 | 0 | 0 | 0 | 0 | 113.9 | V372 R373 W374 | T370-V372 VanDerWaalsContact C-N 3.27Å; T370-V372 PolarHBondContact O-N 3.35Å; T370-R373 PolarHBondContact O-N 3.32Å; T370-R373 PolarHBondContact OG1-NH2 3.35Å; T370-W374 WeakPolarHBondContact O-CB 3.44Å; T370-W374 PolarHBondContact O-N 2.94Å |
| 371 | I | 96 | Very high | 96 | Very high | 78 Ų | 78 | 37.8 Ų | 37.8 | 40% | 0.4 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67 | -28.7 | -179.2 | -162.9 | 165.8 | 0 | 0 | 0 | 113.2 | V286 K290 D369 S375 | V286-I371 HydrophobicContact CG1-CG2 3.73Å; K290-I371 HydrophobicContact CD-CD1 3.76Å; K290-I371 HydrophobicContact CD-CG1 3.84Å; K290-I371 HydrophobicContact CD-CG2 4.42Å; K290-I371 HydrophobicContact CG-CG1 4.38Å; K290-I371 VanDerWaalsContact NZ-CD1 3.33Å; D369-I371 VanDerWaalsContact C-N 3.29Å; D369-I371 PolarHBondContact O-N 3.37Å; I371-S375 WeakPolarHBondContact O-CB 3.19Å; I371-S375 PolarHBondContact O-N 3.15Å; I371-S375 PolarHBondContact O-OG 3.22Å |
| 372 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74.5 | -50.3 | 175.6 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | V286 R289 K290 L364 D367 D369 T370 W374 S375 A376 | V286-V372 HydrophobicContact CG1-CG2 4.1Å; R289-V372 HydrophobicContact CB-CG1 4.18Å; R289-V372 HydrophobicContact CB-CG2 3.97Å; K290-V372 HydrophobicContact CB-CG2 4.26Å; L364-V372 HydrophobicContact CB-CG1 4.23Å; L364-V372 HydrophobicContact CD2-CG1 3.76Å; D367-V372 HydrophobicContact CB-CB 3.95Å; D367-V372 HydrophobicContact CB-CG1 3.78Å; D369-V372 HydrophobicContact CB-CG2 4.06Å; D369-V372 WeakPolarHBondContact O-CB 3.18Å; D369-V372 PolarHBondContact O-N 3.1Å; D369-V372 VanDerWaalsContact O-N 3.11Å; T370-V372 VanDerWaalsContact C-N 3.27Å; T370-V372 PolarHBondContact O-N 3.35Å; V372-W374 VanDerWaalsContact C-N 3.3Å; V372-W374 PolarHBondContact O-N 3.32Å; V372-S375 WeakPolarHBondContact O-CB 3.24Å; V372-S375 PolarHBondContact O-N 3.23Å; V372-A376 PolarHBondContact O-N 3.31Å |
| 373 | R | 97.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.4 | -44.3 | 175.3 | -64.6 | -173.1 | -78 | -167.9 | -6 | 112.4 | L365 D367 D369 T370 S375 A376 A377 G410 H413 L417 | L365-R373 WeakPolarHBondContact O-CD 3.42Å; L365-R373 VanDerWaalsContact O-CG 3.27Å; L365-R373 WeakPolarHBondContact O-CG 3.19Å; D367-R373 HydrophobicContact CB-CG 4.13Å; D367-R373 WeakPolarHBondContact O-CD 3.49Å; D367-R373 WeakPolarHBondContact O-CG 3.46Å; D367-R373 PolarHBondContact O-NE 3.42Å; D369-R373 PolarHBondContact O-N 3.41Å; T370-R373 PolarHBondContact O-N 3.32Å; T370-R373 PolarHBondContact OG1-NH2 3.35Å; R373-S375 PolarHBondContact O-N 3.02Å; R373-A376 PolarHBondContact O-N 3.43Å; R373-A377 WeakPolarHBondContact O-CB 3.37Å; R373-A377 PolarHBondContact O-N 2.95Å; R373-G410 PolarHBondContact NH1-O 3.03Å; R373-H413 PolarHBondContact NE-ND1 3.35Å; R373-L417 HydrophobicContact CB-CD1 4.25Å |
| 374 | W | 97.1 | Very high | 95.8 | Very high | 110 Ų | 110 | 35.4 Ų | 35.4 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.1 | -162.4 | -82.3 | 0 | 0 | 0 | 112.6 | T370 V372 R378 L417 Y465 | T370-W374 WeakPolarHBondContact O-CB 3.44Å; T370-W374 PolarHBondContact O-N 2.94Å; V372-W374 VanDerWaalsContact C-N 3.3Å; V372-W374 PolarHBondContact O-N 3.32Å; W374-R378 VanDerWaalsContact O-CB 3.3Å; W374-R378 WeakPolarHBondContact O-CB 3.41Å; W374-R378 PolarHBondContact O-N 3.37Å; W374-L417 HydrophobicContact CB-CD1 4.24Å; W374-L417 HydrophobicContact CD2-CD1 4.26Å; W374-L417 HydrophobicContact CE3-CD1 3.57Å; W374-L417 HydrophobicContact CE3-CD2 3.49Å; W374-L417 VanDerWaalsContact CE3-CD2 3.49Å; W374-L417 HydrophobicContact CE3-CG 4.15Å; W374-L417 HydrophobicContact CH2-CD2 4.14Å; W374-L417 HydrophobicContact CZ3-CD1 4.25Å; W374-L417 HydrophobicContact CZ3-CD2 3.24Å; W374-L417 HydrophobicContact CZ3-CG 4.35Å; W374-Y465 HydrophobicContact CH2-CD1 4.3Å; W374-Y465 AromaticContact CH2-CE1 3.86Å; W374-Y465 HydrophobicContact CH2-CE1 3.86Å; W374-Y465 HydrophobicContact CZ2-CE1 4.45Å |
| 375 | S | 97.7 | Very high | 95.6 | Very high | 10 Ų | 10 | 37 Ų | 37 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | Q297 I371 V372 R373 G379 | Q297-S375 PolarHBondContact NE2-O 2.96Å; I371-S375 WeakPolarHBondContact O-CB 3.19Å; I371-S375 PolarHBondContact O-N 3.15Å; I371-S375 PolarHBondContact O-OG 3.22Å; V372-S375 WeakPolarHBondContact O-CB 3.24Å; V372-S375 PolarHBondContact O-N 3.23Å; R373-S375 PolarHBondContact O-N 3.02Å; S375-G379 PolarHBondContact O-N 2.87Å |
| 376 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -49.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L361 L364 L365 V372 R373 R378 G379 I380 | L361-A376 HydrophobicContact CD2-CB 4.28Å; L364-A376 HydrophobicContact CB-CB 3.82Å; L365-A376 HydrophobicContact CD2-CB 3.97Å; L365-A376 HydrophobicContact CG-CB 4.35Å; V372-A376 PolarHBondContact O-N 3.31Å; R373-A376 PolarHBondContact O-N 3.43Å; A376-R378 VanDerWaalsContact C-N 3.32Å; A376-R378 PolarHBondContact O-N 3.48Å; A376-G379 WeakPolarHBondContact O-CA 3.43Å; A376-G379 PolarHBondContact O-N 2.66Å; A376-I380 PolarHBondContact O-N 2.92Å |
| 377 | A | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L365 R373 G379 I380 G381 L417 V418 | L365-A377 HydrophobicContact CD2-CB 3.84Å; R373-A377 WeakPolarHBondContact O-CB 3.37Å; R373-A377 PolarHBondContact O-N 2.95Å; A377-G379 VanDerWaalsContact C-N 3.25Å; A377-G379 PolarHBondContact O-N 3.04Å; A377-I380 PolarHBondContact O-N 3.24Å; A377-G381 PolarHBondContact O-N 3.02Å; A377-L417 HydrophobicContact CB-CB 3.5Å; A377-L417 VanDerWaalsContact CB-CB 3.5Å; A377-L417 HydrophobicContact CB-CD1 4.45Å; A377-V418 HydrophobicContact CB-CG2 3.85Å |
| 378 | R | 97.2 | Very high | 95.1 | Very high | 76 Ų | 76 | 33.1 Ų | 33.1 | 29% | 0.287 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.8 | -33.5 | 174.7 | -168.4 | 68.2 | -174.9 | -161.6 | 4.1 | 112.3 | W374 A376 R382 E421 R425 | W374-R378 VanDerWaalsContact O-CB 3.3Å; W374-R378 WeakPolarHBondContact O-CB 3.41Å; W374-R378 PolarHBondContact O-N 3.37Å; A376-R378 VanDerWaalsContact C-N 3.32Å; A376-R378 PolarHBondContact O-N 3.48Å; R378-R382 VanDerWaalsContact O-CG 3.32Å; R378-R382 WeakPolarHBondContact O-CG 3.32Å; R378-R382 PolarHBondContact O-N 3.25Å; R378-E421 VanDerWaalsContact CD-OE1 3.24Å; R378-E421 WeakPolarHBondContact CD-OE1 3.43Å; R378-E421 WeakPolarHBondContact CD-OE2 3.36Å; R378-E421 IonicContact CZ-OE1 2.66Å; R378-E421 IonicContact CZ-OE2 2.84Å; R378-E421 IonicContact NE-OE1 3.71Å; R378-E421 IonicContact NE-OE2 3.18Å; R378-E421 PolarHBondContact NE-OE2 2.95Å; R378-E421 VanDerWaalsContact NH1-CD 3.3Å; R378-E421 IonicContact NH1-OE1 2.74Å; R378-E421 PolarHBondContact NH1-OE1 3.48Å; R378-E421 IonicContact NH1-OE2 3.96Å; R378-E421 PolarHBondContact NH1-OE2 3.45Å; R378-R425 VanDerWaalsContact CZ-NH2 3.27Å |
| 379 | G | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -52.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q297 S375 A376 A377 G381 R382 I383 | Q297-G379 VanDerWaalsContact NE2-CA 3.32Å; S375-G379 PolarHBondContact O-N 2.87Å; A376-G379 WeakPolarHBondContact O-CA 3.43Å; A376-G379 PolarHBondContact O-N 2.66Å; A377-G379 VanDerWaalsContact C-N 3.25Å; A377-G379 PolarHBondContact O-N 3.04Å; G379-G381 PolarHBondContact O-N 2.95Å; G379-R382 WeakPolarHBondContact O-CB 3.43Å; G379-R382 PolarHBondContact O-N 3.13Å; G379-I383 WeakPolarHBondContact O-CG1 3.42Å; G379-I383 PolarHBondContact O-N 2.88Å |
| 380 | I | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.4 | -50.8 | 177 | -66.1 | 169.1 | 0 | 0 | 0 | 110.1 | L358 L361 F362 L365 A376 A377 R382 I383 C384 V395 V418 | L358-I380 HydrophobicContact CD2-CG1 4.28Å; L358-I380 HydrophobicContact CD2-CG2 4.49Å; L361-I380 HydrophobicContact CB-CD1 4.01Å; L361-I380 HydrophobicContact CB-CG1 3.77Å; L361-I380 HydrophobicContact CD1-CG1 4.02Å; F362-I380 HydrophobicContact CD2-CD1 4.19Å; F362-I380 HydrophobicContact CE2-CD1 4.27Å; F362-I380 HydrophobicContact CG-CD1 4.49Å; L365-I380 HydrophobicContact CD1-CD1 3.52Å; L365-I380 HydrophobicContact CD2-CD1 4.13Å; L365-I380 HydrophobicContact CG-CD1 3.83Å; A376-I380 PolarHBondContact O-N 2.92Å; A377-I380 PolarHBondContact O-N 3.24Å; I380-R382 PolarHBondContact O-N 2.89Å; I380-R382 VanDerWaalsContact O-N 3.15Å; I380-I383 PolarHBondContact O-N 3.17Å; I380-I383 VanDerWaalsContact O-N 3.11Å; I380-C384 WeakPolarHBondContact O-CB 3.46Å; I380-C384 PolarHBondContact O-N 3.41Å; I380-C384 PolarHBondContact O-SG 2.86Å; I380-V395 HydrophobicContact CG2-CG1 3.83Å; I380-V418 HydrophobicContact CD1-CG2 4.04Å; I380-V418 HydrophobicContact CG2-CG1 4.08Å |
| 381 | G | 95.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -27.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A377 G379 R425 | A377-G381 PolarHBondContact O-N 3.02Å; G379-G381 PolarHBondContact O-N 2.95Å; G381-R425 WeakPolarHBondContact O-CD 3.38Å; G381-R425 PolarHBondContact O-NE 3.31Å; G381-R425 VanDerWaalsContact O-NE 3.11Å |
| 382 | R | 94.2 | Very high | 94.8 | Very high | 54 Ų | 54 | 27.7 Ų | 27.7 | 20% | 0.204 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -76.9 | -43.1 | 173.4 | -76.6 | 179 | -174.4 | 127.4 | 7.5 | 112.1 | R298 M301 R378 G379 I380 S385 | R298-R382 VanDerWaalsContact NH2-CZ 3.31Å; M301-R382 HydrophobicContact CE-CB 4.08Å; M301-R382 HydrophobicContact CG-CB 4.35Å; M301-R382 VanDerWaalsContact SD-C 3.51Å; M301-R382 HydrophobicContact SD-CB 3.98Å; R378-R382 VanDerWaalsContact O-CG 3.32Å; R378-R382 WeakPolarHBondContact O-CG 3.32Å; R378-R382 PolarHBondContact O-N 3.25Å; G379-R382 WeakPolarHBondContact O-CB 3.43Å; G379-R382 PolarHBondContact O-N 3.13Å; I380-R382 PolarHBondContact O-N 2.89Å; I380-R382 VanDerWaalsContact O-N 3.15Å; R382-S385 PolarHBondContact O-N 2.86Å; R382-S385 PolarHBondContact O-OG 3.49Å |
| 383 | I | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 178.3 | -70.3 | 171.6 | 0 | 0 | 0 | 109.5 | M301 L304 V354 I357 L358 L361 G379 I380 S385 R386 L387 | M301-I383 HydrophobicContact CG-CG1 4.49Å; M301-I383 HydrophobicContact SD-CG1 4.38Å; L304-I383 HydrophobicContact CD1-CG2 3.83Å; V354-I383 HydrophobicContact CG1-CG2 3.94Å; I357-I383 HydrophobicContact CG2-CD1 3.83Å; L358-I383 HydrophobicContact CD1-CG2 4.16Å; L358-I383 HydrophobicContact CD2-CB 4.2Å; L358-I383 HydrophobicContact CD2-CD1 4.18Å; L358-I383 HydrophobicContact CD2-CG2 3.77Å; L358-I383 HydrophobicContact CG-CG2 4.04Å; L361-I383 HydrophobicContact CD1-CD1 3.67Å; G379-I383 WeakPolarHBondContact O-CG1 3.42Å; G379-I383 PolarHBondContact O-N 2.88Å; I380-I383 PolarHBondContact O-N 3.17Å; I380-I383 VanDerWaalsContact O-N 3.11Å; I383-S385 PolarHBondContact O-N 2.77Å; I383-S385 VanDerWaalsContact O-N 3.13Å; I383-R386 PolarHBondContact O-N 3.34Å; I383-L387 HydrophobicContact CG2-CD1 4.2Å; I383-L387 HydrophobicContact CG2-CG 4.39Å |
| 384 | C | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.2 | -27.4 | 178.1 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | I380 R386 L387 V392 L422 L427 | I380-C384 WeakPolarHBondContact O-CB 3.46Å; I380-C384 PolarHBondContact O-N 3.41Å; I380-C384 PolarHBondContact O-SG 2.86Å; C384-R386 PolarHBondContact O-N 3.14Å; C384-R386 VanDerWaalsContact O-N 3.08Å; C384-L387 PolarHBondContact O-N 3.18Å; C384-L387 VanDerWaalsContact O-N 3.17Å; C384-V392 HydrophobicContact CB-CG2 3.93Å; C384-V392 WeakPolarHBondContact O-CG2 3.13Å; C384-L422 HydrophobicContact CB-CD2 3.73Å; C384-L427 HydrophobicContact CB-CD1 3.84Å |
| 385 | S | 91.7 | Very high | 94.5 | Very high | 35 Ų | 35 | 28 Ų | 28 | 25% | 0.245 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -3.9 | 176.6 | 84.1 | 0 | 0 | 0 | 0 | 113.8 | R382 I383 | R382-S385 PolarHBondContact O-N 2.86Å; R382-S385 PolarHBondContact O-OG 3.49Å; I383-S385 PolarHBondContact O-N 2.77Å; I383-S385 VanDerWaalsContact O-N 3.13Å |
| 386 | R | 91.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 27.6 Ų | 27.6 | 17% | 0.17 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 6.1 | 175.5 | -62.8 | -176.2 | -179.8 | -178.5 | 10.5 | 112.6 | M301 L304 R307 I383 C384 | M301-R386 HydrophobicContact CE-CG 4.42Å; M301-R386 PolarHBondContact O-NH1 3.47Å; L304-R386 HydrophobicContact CB-CB 4.01Å; L304-R386 HydrophobicContact CD1-CB 3.99Å; L304-R386 PolarHBondContact O-NH1 3.03Å; R307-R386 HydrophobicContact CG-CB 4.5Å; R307-R386 PolarHBondContact NE-O 3.33Å; R307-R386 PolarHBondContact NH2-O 3.33Å; I383-R386 PolarHBondContact O-N 3.34Å; C384-R386 PolarHBondContact O-N 3.14Å; C384-R386 VanDerWaalsContact O-N 3.08Å |
| 387 | L | 91.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -94.2 | 165 | 177.7 | -61.4 | -176 | 0 | 0 | 0 | 111.6 | L304 R307 W311 L350 L358 I383 C384 L391 V392 | L304-L387 HydrophobicContact CD1-CD2 4Å; L304-L387 HydrophobicContact CD2-CD2 4.08Å; R307-L387 VanDerWaalsContact NH2-C 3.28Å; W311-L387 PolarHBondContact NE1-O 3.38Å; W311-L387 VanDerWaalsContact NE1-O 3.16Å; L350-L387 HydrophobicContact CD1-CD1 4.45Å; L350-L387 HydrophobicContact CD1-CD2 3.63Å; L358-L387 HydrophobicContact CD1-CD1 4.1Å; I383-L387 HydrophobicContact CG2-CD1 4.2Å; I383-L387 HydrophobicContact CG2-CG 4.39Å; C384-L387 PolarHBondContact O-N 3.18Å; C384-L387 VanDerWaalsContact O-N 3.17Å; L387-L391 HydrophobicContact CB-CB 4.13Å; L387-L391 HydrophobicContact CD1-CB 4.28Å; L387-L391 HydrophobicContact CD2-CD1 4.37Å; L387-V392 HydrophobicContact CB-CG2 3.9Å |
| 388 | S | 90.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | trans | -71.6 | 161 | 171.9 | 60.9 | 0 | 0 | 0 | 0 | 111 | T390 L391 V392 | S388-T390 VanDerWaalsContact C-N 3.3Å; S388-T390 PolarHBondContact O-N 3.2Å; S388-T390 PolarHBondContact OG-OG1 2.99Å; S388-L391 PolarHBondContact O-N 3.02Å; S388-L391 WeakPolarHBondContact OG-CD1 3.28Å; S388-L391 WeakPolarHBondContact OG-CG 3.38Å; S388-V392 PolarHBondContact O-N 3.45Å; S388-V392 VanDerWaalsContact O-N 3.08Å | ||
| 389 | K | 90.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 29.6 Ų | 29.6 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -51.1 | -48.9 | 177.1 | -179.4 | -179.6 | 170.6 | 176 | 0 | 111.7 | W311 L391 V392 S393 L429 E431 | W311-K389 HydrophobicContact CB-CB 4.42Å; W311-K389 HydrophobicContact CD2-CB 3.74Å; W311-K389 HydrophobicContact CD2-CG 4.29Å; W311-K389 HydrophobicContact CE3-CB 3.97Å; W311-K389 HydrophobicContact CE3-CG 4.01Å; W311-K389 HydrophobicContact CG-CB 3.92Å; K389-L391 PolarHBondContact O-N 3.21Å; K389-V392 PolarHBondContact O-N 2.91Å; K389-S393 PolarHBondContact O-N 3.31Å; K389-S393 PolarHBondContact O-OG 3.48Å; K389-L429 HydrophobicContact CD-CD1 4.08Å; K389-L429 HydrophobicContact CG-CD1 4.06Å; K389-E431 IonicContact NZ-OE2 2.75Å |
| 390 | T | 91.3 | Very high | 94.1 | Very high | 97 Ų | 97 | 30 Ų | 30 | 60% | 0.595 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -60.5 | -45.3 | -177.8 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | S388 V392 S393 N394 | S388-T390 VanDerWaalsContact C-N 3.3Å; S388-T390 PolarHBondContact O-N 3.2Å; S388-T390 PolarHBondContact OG-OG1 2.99Å; T390-V392 PolarHBondContact O-N 2.96Å; T390-S393 PolarHBondContact O-N 3.4Å; T390-N394 PolarHBondContact O-N 3.06Å; T390-N394 VanDerWaalsContact O-N 3.1Å |
| 391 | L | 92.6 | Very high | 93.9 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -38.1 | 177.9 | -69.8 | 173.9 | 0 | 0 | 0 | 111.9 | L350 L387 S388 K389 N394 V395 | L350-L391 HydrophobicContact CB-CD1 4.39Å; L350-L391 HydrophobicContact CD1-CD1 4.31Å; L387-L391 HydrophobicContact CB-CB 4.13Å; L387-L391 HydrophobicContact CD1-CB 4.28Å; L387-L391 HydrophobicContact CD2-CD1 4.37Å; S388-L391 PolarHBondContact O-N 3.02Å; S388-L391 WeakPolarHBondContact OG-CD1 3.28Å; S388-L391 WeakPolarHBondContact OG-CG 3.38Å; K389-L391 PolarHBondContact O-N 3.21Å; L391-N394 WeakPolarHBondContact O-CB 3.23Å; L391-N394 PolarHBondContact O-N 2.76Å; L391-V395 WeakPolarHBondContact O-CG2 3.38Å; L391-V395 PolarHBondContact O-N 3.13Å; L391-V395 VanDerWaalsContact O-N 3.11Å |
| 392 | V | 93.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -40.5 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | W311 C384 L387 S388 K389 T390 N394 V395 V396 L427 | W311-V392 HydrophobicContact CH2-CB 3.62Å; W311-V392 HydrophobicContact CH2-CG1 3.82Å; W311-V392 HydrophobicContact CH2-CG2 3.63Å; W311-V392 HydrophobicContact CZ2-CB 4.01Å; W311-V392 HydrophobicContact CZ2-CG2 3.57Å; C384-V392 HydrophobicContact CB-CG2 3.93Å; C384-V392 WeakPolarHBondContact O-CG2 3.13Å; L387-V392 HydrophobicContact CB-CG2 3.9Å; S388-V392 PolarHBondContact O-N 3.45Å; S388-V392 VanDerWaalsContact O-N 3.08Å; K389-V392 PolarHBondContact O-N 2.91Å; T390-V392 PolarHBondContact O-N 2.96Å; V392-N394 VanDerWaalsContact C-N 3.26Å; V392-N394 PolarHBondContact O-N 3.39Å; V392-V395 CarbonylContact O-C 3.59Å; V392-V395 WeakPolarHBondContact O-CA 3.33Å; V392-V395 WeakPolarHBondContact O-CB 3.48Å; V392-V395 PolarHBondContact O-N 2.84Å; V392-V396 HydrophobicContact CG1-CG2 4.25Å; V392-V396 WeakPolarHBondContact O-CG2 3.41Å; V392-V396 PolarHBondContact O-N 3.12Å; V392-L427 HydrophobicContact CG1-CB 4.27Å |
| 393 | S | 94.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.4 | -38.3 | 174 | -63.2 | 0 | 0 | 0 | 0 | 112 | K389 T390 V396 N397 | K389-S393 PolarHBondContact O-N 3.31Å; K389-S393 PolarHBondContact O-OG 3.48Å; T390-S393 PolarHBondContact O-N 3.4Å; S393-V396 PolarHBondContact O-N 3.01Å; S393-N397 WeakPolarHBondContact O-CB 3.37Å; S393-N397 PolarHBondContact O-N 3.25Å; S393-N397 PolarHBondContact O-ND2 2.76Å |
| 394 | N | 94.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 33.6 Ų | 33.6 | 51% | 0.508 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 173.1 | -68.4 | -13.2 | 0 | 0 | 0 | 112.6 | T390 L391 V392 N397 S398 | T390-N394 PolarHBondContact O-N 3.06Å; T390-N394 VanDerWaalsContact O-N 3.1Å; L391-N394 WeakPolarHBondContact O-CB 3.23Å; L391-N394 PolarHBondContact O-N 2.76Å; V392-N394 VanDerWaalsContact C-N 3.26Å; V392-N394 PolarHBondContact O-N 3.39Å; N394-N397 PolarHBondContact O-N 3.32Å; N394-S398 WeakPolarHBondContact O-CB 3.45Å; N394-S398 PolarHBondContact O-N 3.06Å; N394-S398 PolarHBondContact O-OG 3.14Å |
| 395 | V | 95.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | F362 I380 L391 V392 S398 T399 | F362-V395 HydrophobicContact CE2-CG1 4.08Å; F362-V395 HydrophobicContact CZ-CG1 3.97Å; I380-V395 HydrophobicContact CG2-CG1 3.83Å; L391-V395 WeakPolarHBondContact O-CG2 3.38Å; L391-V395 PolarHBondContact O-N 3.13Å; L391-V395 VanDerWaalsContact O-N 3.11Å; V392-V395 CarbonylContact O-C 3.59Å; V392-V395 WeakPolarHBondContact O-CA 3.33Å; V392-V395 WeakPolarHBondContact O-CB 3.48Å; V392-V395 PolarHBondContact O-N 2.84Å; V395-S398 PolarHBondContact O-N 2.9Å; V395-T399 WeakPolarHBondContact O-CB 3.24Å; V395-T399 PolarHBondContact O-N 3.18Å; V395-T399 PolarHBondContact O-OG1 3.4Å |
| 396 | V | 96.5 | Very high | 93 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | V392 S393 S398 T399 V400 L422 L428 | V392-V396 HydrophobicContact CG1-CG2 4.25Å; V392-V396 WeakPolarHBondContact O-CG2 3.41Å; V392-V396 PolarHBondContact O-N 3.12Å; S393-V396 PolarHBondContact O-N 3.01Å; V396-S398 PolarHBondContact O-N 3.23Å; V396-T399 WeakPolarHBondContact O-CA 3.47Å; V396-T399 WeakPolarHBondContact O-CB 3.31Å; V396-T399 PolarHBondContact O-N 2.88Å; V396-T399 VanDerWaalsContact O-N 3.1Å; V396-V400 HydrophobicContact CG1-CG2 4.47Å; V396-V400 WeakPolarHBondContact O-CG2 3.3Å; V396-V400 PolarHBondContact O-N 3.37Å; V396-L422 HydrophobicContact CG2-CD1 3.85Å; V396-L428 HydrophobicContact CG1-CD2 4.34Å; V396-L428 HydrophobicContact CG2-CD2 3.71Å |
| 397 | N | 95.7 | Very high | 92.9 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 32% | 0.321 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 177.6 | -74.7 | -34.4 | 0 | 0 | 0 | 111.9 | S393 N394 T399 V400 D401 R435 | S393-N397 WeakPolarHBondContact O-CB 3.37Å; S393-N397 PolarHBondContact O-N 3.25Å; S393-N397 PolarHBondContact O-ND2 2.76Å; N394-N397 PolarHBondContact O-N 3.32Å; N397-T399 PolarHBondContact O-N 3.09Å; N397-V400 PolarHBondContact O-N 2.9Å; N397-V400 VanDerWaalsContact O-N 3.09Å; N397-D401 VanDerWaalsContact O-CG 3.26Å; N397-D401 PolarHBondContact O-N 3.41Å; N397-D401 VanDerWaalsContact O-N 3.07Å; N397-R435 PolarHBondContact OD1-NH1 2.86Å; N397-R435 VanDerWaalsContact OD1-NH1 3.15Å |
| 398 | S | 95.6 | Very high | 92.7 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -32.5 | 176.1 | -56 | 0 | 0 | 0 | 0 | 112.6 | N394 V395 V396 | N394-S398 WeakPolarHBondContact O-CB 3.45Å; N394-S398 PolarHBondContact O-N 3.06Å; N394-S398 PolarHBondContact O-OG 3.14Å; V395-S398 PolarHBondContact O-N 2.9Å; V396-S398 PolarHBondContact O-N 3.23Å |
| 399 | T | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.3 | -41.6 | 175 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | V395 V396 N397 D401 L402 F403 V418 L419 | V395-T399 WeakPolarHBondContact O-CB 3.24Å; V395-T399 PolarHBondContact O-N 3.18Å; V395-T399 PolarHBondContact O-OG1 3.4Å; V396-T399 WeakPolarHBondContact O-CA 3.47Å; V396-T399 WeakPolarHBondContact O-CB 3.31Å; V396-T399 PolarHBondContact O-N 2.88Å; V396-T399 VanDerWaalsContact O-N 3.1Å; N397-T399 PolarHBondContact O-N 3.09Å; T399-D401 PolarHBondContact O-N 3.01Å; T399-L402 VanDerWaalsContact O-CB 3.25Å; T399-L402 WeakPolarHBondContact O-CB 3.44Å; T399-L402 WeakPolarHBondContact O-CG 3.43Å; T399-L402 PolarHBondContact O-N 3.13Å; T399-L402 VanDerWaalsContact O-N 3.13Å; T399-F403 WeakPolarHBondContact O-CD2 3.21Å; T399-V418 HydrophobicContact CG2-CB 3.82Å; T399-V418 HydrophobicContact CG2-CG1 3.8Å; T399-L419 HydrophobicContact CG2-CD2 3.92Å; T399-L419 HydrophobicContact CG2-CG 3.96Å |
| 400 | V | 96 | Very high | 92.8 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -33.5 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | V396 N397 L402 F403 R435 L436 V439 | V396-V400 HydrophobicContact CG1-CG2 4.47Å; V396-V400 WeakPolarHBondContact O-CG2 3.3Å; V396-V400 PolarHBondContact O-N 3.37Å; N397-V400 PolarHBondContact O-N 2.9Å; N397-V400 VanDerWaalsContact O-N 3.09Å; V400-L402 PolarHBondContact O-N 2.84Å; V400-L402 VanDerWaalsContact O-N 3.17Å; V400-F403 WeakPolarHBondContact O-CB 3.2Å; V400-F403 WeakPolarHBondContact O-CD2 3.18Å; V400-F403 PolarHBondContact O-N 3.25Å; V400-F403 VanDerWaalsContact O-N 3.07Å; V400-R435 HydrophobicContact CG1-CG 3.98Å; V400-R435 VanDerWaalsContact CG1-CZ 3.4Å; V400-L436 HydrophobicContact CG2-CD2 3.99Å; V400-V439 HydrophobicContact CG1-CG1 3.93Å |
| 401 | D | 94.6 | Very high | 92.9 | Very high | 88 Ų | 88 | 40.5 Ų | 40.5 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -65.9 | -17.6 | 177.9 | -61.3 | -19.7 | 0 | 0 | 0 | 112.8 | N397 T399 F403 H407 R435 | N397-D401 VanDerWaalsContact O-CG 3.26Å; N397-D401 PolarHBondContact O-N 3.41Å; N397-D401 VanDerWaalsContact O-N 3.07Å; T399-D401 PolarHBondContact O-N 3.01Å; D401-F403 PolarHBondContact O-N 3.33Å; D401-H407 PolarHBondContact O-CD2 3.4Å; D401-R435 IonicContact OD1-CZ 3.52Å; D401-R435 IonicContact OD1-NH2 2.64Å; D401-R435 PolarHBondContact OD1-NH2 2.94Å |
| 402 | L | 94.7 | Very high | 93 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -66.5 | -21.1 | 172.8 | -59.9 | 177.1 | 0 | 0 | 0 | 113.2 | F362 L365 T399 V400 S404 C411 | F362-L402 HydrophobicContact CD1-CD1 4.46Å; F362-L402 HydrophobicContact CE1-CD1 4.35Å; L365-L402 HydrophobicContact CD1-CD1 4.07Å; T399-L402 VanDerWaalsContact O-CB 3.25Å; T399-L402 WeakPolarHBondContact O-CB 3.44Å; T399-L402 WeakPolarHBondContact O-CG 3.43Å; T399-L402 PolarHBondContact O-N 3.13Å; T399-L402 VanDerWaalsContact O-N 3.13Å; V400-L402 PolarHBondContact O-N 2.84Å; V400-L402 VanDerWaalsContact O-N 3.17Å; L402-S404 PolarHBondContact O-N 3.32Å; L402-S404 VanDerWaalsContact O-N 3.16Å; L402-C411 HydrophobicContact CB-CB 4.24Å; L402-C411 HydrophobicContact CD2-CB 4.37Å |
| 403 | F | 94.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -86.5 | 35.9 | -178.3 | -62.4 | -91.2 | 0 | 0 | 0 | 113.1 | T399 V400 D401 W412 G415 L419 V439 M440 | T399-F403 WeakPolarHBondContact O-CD2 3.21Å; V400-F403 WeakPolarHBondContact O-CB 3.2Å; V400-F403 WeakPolarHBondContact O-CD2 3.18Å; V400-F403 PolarHBondContact O-N 3.25Å; V400-F403 VanDerWaalsContact O-N 3.07Å; D401-F403 PolarHBondContact O-N 3.33Å; F403-W412 HydrophobicContact CB-CH2 4.5Å; F403-W412 HydrophobicContact CB-CZ2 4.47Å; F403-W412 HydrophobicContact CD1-CD2 4.09Å; F403-W412 AromaticContact CD1-CE3 3.67Å; F403-W412 HydrophobicContact CD1-CE3 3.67Å; F403-W412 HydrophobicContact CD1-CZ3 4.05Å; F403-W412 HydrophobicContact CE1-CE3 4.42Å; F403-W412 VanDerWaalsContact O-CZ2 3.31Å; F403-W412 WeakPolarHBondContact O-CZ2 3.41Å; F403-G415 VanDerWaalsContact CZ-C 3.46Å; F403-L419 HydrophobicContact CE2-CD1 3.67Å; F403-L419 HydrophobicContact CE2-CG 4.4Å; F403-L419 HydrophobicContact CZ-CD1 3.67Å; F403-V439 HydrophobicContact CB-CB 4.33Å; F403-V439 HydrophobicContact CB-CG1 4.14Å; F403-V439 HydrophobicContact CD1-CB 4.35Å; F403-V439 HydrophobicContact CD2-CB 4.43Å; F403-V439 HydrophobicContact CG-CB 4.13Å; F403-V439 HydrophobicContact CG-CG1 4.35Å; F403-M440 HydrophobicContact CE1-CE 3.87Å; F403-M440 HydrophobicContact CZ-CE 3.82Å |
| 404 | S | 90.7 | Very high | 93.3 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | trans | -83.9 | 138.2 | 172.5 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L402 L406 H407 W412 | L402-S404 PolarHBondContact O-N 3.32Å; L402-S404 VanDerWaalsContact O-N 3.16Å; S404-L406 PolarHBondContact O-N 2.99Å; S404-L406 VanDerWaalsContact O-N 3.08Å; S404-L406 PolarHBondContact OG-N 3.24Å; S404-H407 VanDerWaalsContact CB-CD2 3.49Å; S404-H407 WeakPolarHBondContact CB-CD2 3.35Å; S404-H407 PolarHBondContact O-N 2.91Å; S404-W412 PolarHBondContact O-NE1 2.8Å | ||
| 405 | P | 85.2 | Confident | 93.4 | Very high | 101 Ų | 101 | 34 Ų | 34 | 66% | 0.656 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.3 | 172.4 | -24.4 | 34 | 0 | 0 | 0 | 114 | R450 | P405-R450 PolarHBondContact O-NH2 2.78Š|
| 406 | L | 86.7 | Confident | 93.5 | Very high | 145 Ų | 145 | 33.4 Ų | 33.4 | 76% | 0.759 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -26.4 | 177.6 | -59.5 | 178.6 | 0 | 0 | 0 | 112.4 | S404 R450 | S404-L406 PolarHBondContact O-N 2.99Å; S404-L406 VanDerWaalsContact O-N 3.08Å; S404-L406 PolarHBondContact OG-N 3.24Å; L406-R450 VanDerWaalsContact C-NH2 3.35Å; L406-R450 PolarHBondContact O-NH2 3.09Å |
| 407 | H | 89.1 | Confident | 93.6 | Very high | 64 Ų | 64 | 33.5 Ų | 33.5 | 30% | 0.296 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -78 | 160.3 | -177.5 | -72.6 | -38.1 | 0 | 0 | 0 | 113.7 | D401 S404 C411 R450 | D401-H407 PolarHBondContact O-CD2 3.4Å; S404-H407 VanDerWaalsContact CB-CD2 3.49Å; S404-H407 WeakPolarHBondContact CB-CD2 3.35Å; S404-H407 PolarHBondContact O-N 2.91Å; H407-C411 HydrophobicContact CB-CB 3.83Å; H407-R450 PolarHBondContact O-NH2 2.89Å |
| 408 | S | 88.9 | Confident | 93.7 | Very high | 57 Ų | 57 | 30.7 Ų | 30.7 | 40% | 0.399 | 18% | 0.179 | S | C | . | . | trans | -72.8 | 159.8 | -179.9 | 71.3 | 0 | 0 | 0 | 0 | 111.6 | G410 C411 W412 | S408-G410 PolarHBondContact O-N 2.88Å; S408-G410 WeakPolarHBondContact OG-CA 3.25Å; S408-G410 PolarHBondContact OG-N 3Å; S408-C411 WeakPolarHBondContact O-CB 3.42Å; S408-C411 PolarHBondContact O-N 3Å; S408-C411 PolarHBondContact OG-N 2.64Å; S408-C411 PolarHBondContact OG-SG 2.94Å; S408-W412 PolarHBondContact O-N 3.35Å | ||
| 409 | L | 90.4 | Very high | 93.8 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 25% | 0.246 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55 | -30.4 | 168.4 | 172.9 | 151.4 | 0 | 0 | 0 | 112.3 | C411 W412 H413 Y446 G455 I458 V459 | L409-C411 PolarHBondContact O-N 3.09Å; L409-W412 PolarHBondContact O-N 3.31Å; L409-H413 WeakPolarHBondContact O-CB 3.22Å; L409-H413 PolarHBondContact O-N 3.36Å; L409-H413 VanDerWaalsContact O-N 3.09Å; L409-Y446 HydrophobicContact CB-CE1 4.27Å; L409-Y446 HydrophobicContact CD1-CE1 4.18Å; L409-Y446 HydrophobicContact CG-CE1 4.36Å; L409-G455 VanDerWaalsContact CD1-C 3.46Å; L409-G455 WeakPolarHBondContact CD1-O 3.04Å; L409-I458 HydrophobicContact CD1-CG1 4.48Å; L409-I458 HydrophobicContact CD2-CD1 3.41Å; L409-I458 VanDerWaalsContact CD2-CD1 3.41Å; L409-I458 HydrophobicContact CD2-CG1 3.89Å; L409-I458 HydrophobicContact CG-CD1 4.35Å; L409-I458 HydrophobicContact CG-CG1 4.34Å; L409-V459 HydrophobicContact CD1-CG2 4.47Å; L409-V459 HydrophobicContact CG-CG2 3.97Å |
| 410 | G | 91.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 8% | 0.082 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -39.8 | -63 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R373 S408 G414 | R373-G410 PolarHBondContact NH1-O 3.03Å; S408-G410 PolarHBondContact O-N 2.88Å; S408-G410 WeakPolarHBondContact OG-CA 3.25Å; S408-G410 PolarHBondContact OG-N 3Å; G410-G414 PolarHBondContact O-N 3.37Å |
| 411 | C | 93.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -46.6 | -176.3 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | R366 L402 H407 S408 L409 G414 G415 | R366-C411 VanDerWaalsContact CG-SG 3.58Å; L402-C411 HydrophobicContact CB-CB 4.24Å; L402-C411 HydrophobicContact CD2-CB 4.37Å; H407-C411 HydrophobicContact CB-CB 3.83Å; S408-C411 WeakPolarHBondContact O-CB 3.42Å; S408-C411 PolarHBondContact O-N 3Å; S408-C411 PolarHBondContact OG-N 2.64Å; S408-C411 PolarHBondContact OG-SG 2.94Å; L409-C411 PolarHBondContact O-N 3.09Å; C411-G414 PolarHBondContact O-N 3.24Å; C411-G415 PolarHBondContact O-N 3.47Å |
| 412 | W | 95.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | -178.9 | -80.6 | 67.3 | 0 | 0 | 0 | 111.5 | F403 S404 S408 L409 G415 C416 R442 Y446 V459 | F403-W412 HydrophobicContact CB-CH2 4.5Å; F403-W412 HydrophobicContact CB-CZ2 4.47Å; F403-W412 HydrophobicContact CD1-CD2 4.09Å; F403-W412 AromaticContact CD1-CE3 3.67Å; F403-W412 HydrophobicContact CD1-CE3 3.67Å; F403-W412 HydrophobicContact CD1-CZ3 4.05Å; F403-W412 HydrophobicContact CE1-CE3 4.42Å; F403-W412 VanDerWaalsContact O-CZ2 3.31Å; F403-W412 WeakPolarHBondContact O-CZ2 3.41Å; S404-W412 PolarHBondContact O-NE1 2.8Å; S408-W412 PolarHBondContact O-N 3.35Å; L409-W412 PolarHBondContact O-N 3.31Å; W412-G415 PolarHBondContact O-N 3.47Å; W412-C416 PolarHBondContact O-N 3.43Å; W412-C416 PolarHBondContact O-SG 3.41Å; W412-R442 HydrophobicContact CH2-CB 4.05Å; W412-R442 HydrophobicContact CZ3-CB 4.09Å; W412-Y446 AromaticContact CD1-CE2 3.97Å; W412-Y446 AromaticContact CD2-CD2 3.55Å; W412-Y446 HydrophobicContact CD2-CD2 3.55Å; W412-Y446 AromaticContact CD2-CE2 3.42Å; W412-Y446 HydrophobicContact CD2-CE2 3.42Å; W412-Y446 VanDerWaalsContact CD2-CE2 3.42Å; W412-Y446 HydrophobicContact CD2-CG 4.46Å; W412-Y446 AromaticContact CE2-CD2 3.88Å; W412-Y446 AromaticContact CE2-CE2 3.5Å; W412-Y446 VanDerWaalsContact CE2-CE2 3.5Å; W412-Y446 AromaticContact CE3-CD2 3.4Å; W412-Y446 HydrophobicContact CE3-CD2 3.4Å; W412-Y446 AromaticContact CE3-CE2 3.82Å; W412-Y446 HydrophobicContact CE3-CE2 3.82Å; W412-Y446 HydrophobicContact CE3-CG 4.11Å; W412-Y446 HydrophobicContact CG-CD2 4.22Å; W412-Y446 AromaticContact CG-CE2 3.75Å; W412-Y446 HydrophobicContact CG-CE2 3.75Å; W412-Y446 AromaticContact CH2-CD2 3.94Å; W412-Y446 HydrophobicContact CH2-CD2 3.94Å; W412-Y446 HydrophobicContact CH2-CE2 4.31Å; W412-Y446 HydrophobicContact CZ2-CD2 4.08Å; W412-Y446 AromaticContact CZ2-CE2 3.96Å; W412-Y446 HydrophobicContact CZ2-CE2 3.96Å; W412-Y446 AromaticContact CZ3-CD2 3.61Å; W412-Y446 HydrophobicContact CZ3-CD2 3.61Å; W412-Y446 HydrophobicContact CZ3-CE2 4.25Å; W412-Y446 HydrophobicContact CZ3-CG 4.46Å; W412-Y446 AromaticContact NE1-CE2 3.82Å; W412-V459 HydrophobicContact CB-CG1 3.85Å; W412-V459 HydrophobicContact CB-CG2 3.79Å; W412-V459 HydrophobicContact CE3-CG1 3.96Å |
| 413 | H | 95.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 177.6 | -178 | -100.9 | 0 | 0 | 0 | 111.5 | R373 L409 G415 C416 L417 I458 V459 | R373-H413 PolarHBondContact NE-ND1 3.35Å; L409-H413 WeakPolarHBondContact O-CB 3.22Å; L409-H413 PolarHBondContact O-N 3.36Å; L409-H413 VanDerWaalsContact O-N 3.09Å; H413-G415 VanDerWaalsContact C-N 3.29Å; H413-G415 PolarHBondContact O-N 2.97Å; H413-C416 WeakPolarHBondContact O-CB 3.14Å; H413-C416 PolarHBondContact O-N 3.45Å; H413-L417 WeakPolarHBondContact O-CG 3.05Å; H413-L417 PolarHBondContact O-N 2.95Å; H413-I458 HydrophobicContact CB-CD1 4.03Å; H413-I458 HydrophobicContact CB-CG1 4.29Å; H413-I458 PolarHBondContact CD2-O 3.11Å; H413-I458 VanDerWaalsContact CD2-O 3.22Å; H413-V459 HydrophobicContact CB-CG2 4.13Å |
| 414 | G | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.6 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G410 C411 L417 V418 | G410-G414 PolarHBondContact O-N 3.37Å; C411-G414 PolarHBondContact O-N 3.24Å; G414-L417 PolarHBondContact O-N 3.26Å; G414-V418 WeakPolarHBondContact O-CG2 3.35Å; G414-V418 PolarHBondContact O-N 3.11Å |
| 415 | G | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | F403 C411 W412 H413 L417 V418 L419 | F403-G415 VanDerWaalsContact CZ-C 3.46Å; C411-G415 PolarHBondContact O-N 3.47Å; W412-G415 PolarHBondContact O-N 3.47Å; H413-G415 VanDerWaalsContact C-N 3.29Å; H413-G415 PolarHBondContact O-N 2.97Å; G415-L417 VanDerWaalsContact C-N 3.31Å; G415-L417 PolarHBondContact O-N 3.47Å; G415-V418 PolarHBondContact O-N 3.17Å; G415-L419 WeakPolarHBondContact O-CG 3.47Å; G415-L419 PolarHBondContact O-N 3.29Å |
| 416 | C | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.6 | -45.4 | 175.1 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | W412 H413 V418 L419 A420 A462 V466 | W412-C416 PolarHBondContact O-N 3.43Å; W412-C416 PolarHBondContact O-SG 3.41Å; H413-C416 WeakPolarHBondContact O-CB 3.14Å; H413-C416 PolarHBondContact O-N 3.45Å; C416-V418 VanDerWaalsContact C-N 3.34Å; C416-V418 PolarHBondContact O-N 3.43Å; C416-L419 PolarHBondContact O-N 2.73Å; C416-A420 PolarHBondContact O-N 3.48Å; C416-A462 HydrophobicContact CB-CB 3.46Å; C416-A462 VanDerWaalsContact CB-CB 3.46Å; C416-V466 HydrophobicContact CB-CG2 4Å; C416-V466 WeakPolarHBondContact O-CG2 3.38Å |
| 417 | L | 98.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | -179.9 | -63.1 | -171.9 | 0 | 0 | 0 | 112.7 | R373 W374 A377 H413 G414 G415 E421 A462 | R373-L417 HydrophobicContact CB-CD1 4.25Å; W374-L417 HydrophobicContact CB-CD1 4.24Å; W374-L417 HydrophobicContact CD2-CD1 4.26Å; W374-L417 HydrophobicContact CE3-CD1 3.57Å; W374-L417 HydrophobicContact CE3-CD2 3.49Å; W374-L417 VanDerWaalsContact CE3-CD2 3.49Å; W374-L417 HydrophobicContact CE3-CG 4.15Å; W374-L417 HydrophobicContact CH2-CD2 4.14Å; W374-L417 HydrophobicContact CZ3-CD1 4.25Å; W374-L417 HydrophobicContact CZ3-CD2 3.24Å; W374-L417 HydrophobicContact CZ3-CG 4.35Å; A377-L417 HydrophobicContact CB-CB 3.5Å; A377-L417 VanDerWaalsContact CB-CB 3.5Å; A377-L417 HydrophobicContact CB-CD1 4.45Å; H413-L417 WeakPolarHBondContact O-CG 3.05Å; H413-L417 PolarHBondContact O-N 2.95Å; G414-L417 PolarHBondContact O-N 3.26Å; G415-L417 VanDerWaalsContact C-N 3.31Å; G415-L417 PolarHBondContact O-N 3.47Å; L417-E421 WeakPolarHBondContact O-CB 3.42Å; L417-E421 VanDerWaalsContact O-CG 3.28Å; L417-E421 WeakPolarHBondContact O-CG 3.41Å; L417-E421 PolarHBondContact O-N 2.76Å; L417-A462 HydrophobicContact CD2-CB 4.33Å |
| 418 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | L365 A377 I380 T399 G414 G415 C416 A420 E421 L422 | L365-V418 HydrophobicContact CD1-CG2 3.51Å; L365-V418 HydrophobicContact CD2-CG2 3.49Å; L365-V418 VanDerWaalsContact CD2-CG2 3.49Å; L365-V418 HydrophobicContact CG-CG2 4.13Å; A377-V418 HydrophobicContact CB-CG2 3.85Å; I380-V418 HydrophobicContact CD1-CG2 4.04Å; I380-V418 HydrophobicContact CG2-CG1 4.08Å; T399-V418 HydrophobicContact CG2-CB 3.82Å; T399-V418 HydrophobicContact CG2-CG1 3.8Å; G414-V418 WeakPolarHBondContact O-CG2 3.35Å; G414-V418 PolarHBondContact O-N 3.11Å; G415-V418 PolarHBondContact O-N 3.17Å; C416-V418 VanDerWaalsContact C-N 3.34Å; C416-V418 PolarHBondContact O-N 3.43Å; V418-A420 VanDerWaalsContact C-N 3.3Å; V418-A420 PolarHBondContact O-N 3.31Å; V418-E421 PolarHBondContact O-N 2.85Å; V418-E421 VanDerWaalsContact O-N 3.12Å; V418-L422 HydrophobicContact CG1-CD1 3.77Å; V418-L422 HydrophobicContact CG1-CG 4.08Å; V418-L422 VanDerWaalsContact O-CG 3.31Å; V418-L422 WeakPolarHBondContact O-CG 3.33Å; V418-L422 PolarHBondContact O-N 3.16Å |
| 419 | L | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.9 | -43.5 | 178.5 | -67.9 | -178.5 | 0 | 0 | 0 | 111.6 | T399 F403 G415 C416 E421 L422 G423 L428 L436 V439 M440 V466 | T399-L419 HydrophobicContact CG2-CD2 3.92Å; T399-L419 HydrophobicContact CG2-CG 3.96Å; F403-L419 HydrophobicContact CE2-CD1 3.67Å; F403-L419 HydrophobicContact CE2-CG 4.4Å; F403-L419 HydrophobicContact CZ-CD1 3.67Å; G415-L419 WeakPolarHBondContact O-CG 3.47Å; G415-L419 PolarHBondContact O-N 3.29Å; C416-L419 PolarHBondContact O-N 2.73Å; L419-E421 PolarHBondContact O-N 3.48Å; L419-L422 PolarHBondContact O-N 3.35Å; L419-G423 PolarHBondContact O-N 3.42Å; L419-L428 HydrophobicContact CD2-CD2 4.37Å; L419-L428 WeakPolarHBondContact O-CD1 3.41Å; L419-L436 HydrophobicContact CD1-CD2 3.88Å; L419-L436 HydrophobicContact CD2-CD2 3.58Å; L419-L436 HydrophobicContact CG-CD2 4.36Å; L419-V439 HydrophobicContact CD1-CG2 4.38Å; L419-M440 HydrophobicContact CD1-CE 3.67Å; L419-V466 HydrophobicContact CB-CG1 4.1Å; L419-V466 HydrophobicContact CB-CG2 4Å |
| 420 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C416 V418 R424 Y465 V466 | C416-A420 PolarHBondContact O-N 3.48Å; V418-A420 VanDerWaalsContact C-N 3.3Å; V418-A420 PolarHBondContact O-N 3.31Å; A420-R424 WeakPolarHBondContact O-CB 3.38Å; A420-R424 VanDerWaalsContact O-CG 3.28Å; A420-R424 WeakPolarHBondContact O-CG 3.45Å; A420-R424 PolarHBondContact O-N 2.88Å; A420-Y465 HydrophobicContact CB-CD1 3.32Å; A420-Y465 HydrophobicContact CB-CE1 3.39Å; A420-Y465 HydrophobicContact CB-CG 4.11Å; A420-V466 HydrophobicContact CB-CG2 4Å |
| 421 | E | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.6 | -35.9 | 177.4 | -76.2 | -70.2 | 161 | 0 | 0 | 113 | R378 L417 V418 L419 R425 | R378-E421 VanDerWaalsContact CD-OE1 3.24Å; R378-E421 WeakPolarHBondContact CD-OE1 3.43Å; R378-E421 WeakPolarHBondContact CD-OE2 3.36Å; R378-E421 IonicContact CZ-OE1 2.66Å; R378-E421 IonicContact CZ-OE2 2.84Å; R378-E421 IonicContact NE-OE1 3.71Å; R378-E421 IonicContact NE-OE2 3.18Å; R378-E421 PolarHBondContact NE-OE2 2.95Å; R378-E421 VanDerWaalsContact NH1-CD 3.3Å; R378-E421 IonicContact NH1-OE1 2.74Å; R378-E421 PolarHBondContact NH1-OE1 3.48Å; R378-E421 IonicContact NH1-OE2 3.96Å; R378-E421 PolarHBondContact NH1-OE2 3.45Å; L417-E421 WeakPolarHBondContact O-CB 3.42Å; L417-E421 VanDerWaalsContact O-CG 3.28Å; L417-E421 WeakPolarHBondContact O-CG 3.41Å; L417-E421 PolarHBondContact O-N 2.76Å; V418-E421 PolarHBondContact O-N 2.85Å; V418-E421 VanDerWaalsContact O-N 3.12Å; L419-E421 PolarHBondContact O-N 3.48Å; E421-R425 WeakPolarHBondContact O-CD 3.4Å; E421-R425 PolarHBondContact O-NH1 2.97Å; E421-R425 IonicContact OE2-CZ 3.55Å; E421-R425 IonicContact OE2-NH1 2.98Å; E421-R425 PolarHBondContact OE2-NH1 3.46Å; E421-R425 IonicContact OE2-NH2 3.23Å; E421-R425 PolarHBondContact OE2-NH2 3.45Å |
| 422 | L | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.3 | -46 | 173.3 | -67 | 178.3 | 0 | 0 | 0 | 111.1 | C384 V396 V418 L419 R424 R425 G426 L427 L428 | C384-L422 HydrophobicContact CB-CD2 3.73Å; V396-L422 HydrophobicContact CG2-CD1 3.85Å; V418-L422 HydrophobicContact CG1-CD1 3.77Å; V418-L422 HydrophobicContact CG1-CG 4.08Å; V418-L422 VanDerWaalsContact O-CG 3.31Å; V418-L422 WeakPolarHBondContact O-CG 3.33Å; V418-L422 PolarHBondContact O-N 3.16Å; L419-L422 PolarHBondContact O-N 3.35Å; L422-R424 PolarHBondContact O-N 3.39Å; L422-R425 PolarHBondContact O-N 3.04Å; L422-R425 VanDerWaalsContact O-N 3.09Å; L422-G426 PolarHBondContact O-N 3.45Å; L422-L427 HydrophobicContact CB-CB 4.21Å; L422-L427 HydrophobicContact CD2-CB 4.06Å; L422-L427 HydrophobicContact CD2-CD1 3.78Å; L422-L427 PolarHBondContact O-N 2.83Å; L422-L428 HydrophobicContact CB-CD1 4.48Å; L422-L428 HydrophobicContact CB-CD2 3.79Å; L422-L428 HydrophobicContact CB-CG 3.86Å; L422-L428 HydrophobicContact CD1-CD2 4.09Å |
| 423 | G | 92.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L419 R425 G426 A473 | L419-G423 PolarHBondContact O-N 3.42Å; G423-R425 PolarHBondContact O-N 3.35Å; G423-G426 PolarHBondContact O-N 2.6Å; G423-A473 VanDerWaalsContact O-CB 3.27Å; G423-A473 WeakPolarHBondContact O-CB 3.21Å |
| 424 | R | 88.3 | Confident | 94.3 | Very high | 112 Ų | 112 | 22 Ų | 22 | 42% | 0.423 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.5 | 176.9 | -75.3 | -178.7 | 62.9 | 129.9 | 1.8 | 115.2 | A420 L422 Y465 W468 | A420-R424 WeakPolarHBondContact O-CB 3.38Å; A420-R424 VanDerWaalsContact O-CG 3.28Å; A420-R424 WeakPolarHBondContact O-CG 3.45Å; A420-R424 PolarHBondContact O-N 2.88Å; L422-R424 PolarHBondContact O-N 3.39Å; R424-Y465 VanDerWaalsContact CD-OH 3.28Å; R424-Y465 WeakPolarHBondContact CD-OH 3.29Å; R424-Y465 PolarHBondContact NH1-OH 3.25Å; R424-W468 HydrophobicContact CG-CZ3 4.35Å |
| 425 | R | 89.4 | Confident | 94.2 | Very high | 61 Ų | 61 | 27.6 Ų | 27.6 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 4.3 | 178.2 | -75.3 | 166.5 | -176.6 | 67.2 | -14.5 | 113.2 | R378 G381 E421 L422 G423 L427 | R378-R425 VanDerWaalsContact CZ-NH2 3.27Å; G381-R425 WeakPolarHBondContact O-CD 3.38Å; G381-R425 PolarHBondContact O-NE 3.31Å; G381-R425 VanDerWaalsContact O-NE 3.11Å; E421-R425 WeakPolarHBondContact O-CD 3.4Å; E421-R425 PolarHBondContact O-NH1 2.97Å; E421-R425 IonicContact OE2-CZ 3.55Å; E421-R425 IonicContact OE2-NH1 2.98Å; E421-R425 PolarHBondContact OE2-NH1 3.46Å; E421-R425 IonicContact OE2-NH2 3.23Å; E421-R425 PolarHBondContact OE2-NH2 3.45Å; L422-R425 PolarHBondContact O-N 3.04Å; L422-R425 VanDerWaalsContact O-N 3.09Å; G423-R425 PolarHBondContact O-N 3.35Å; R425-L427 HydrophobicContact CB-CD1 3.85Å; R425-L427 HydrophobicContact CB-CG 3.75Å; R425-L427 PolarHBondContact O-N 3.04Å |
| 426 | G | 90.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 9% | 0.093 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 20.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A312 Y313 L422 G423 | A312-G426 CarbonylContact C-O 3.55Å; A312-G426 WeakPolarHBondContact CA-O 3.37Å; A312-G426 WeakPolarHBondContact CB-O 3.23Å; Y313-G426 PolarHBondContact N-O 3.04Å; L422-G426 PolarHBondContact O-N 3.45Å; G423-G426 PolarHBondContact O-N 2.6Å |
| 427 | L | 93 | Very high | 94 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | trans | -90 | -2.4 | -177.1 | -59.1 | 176 | 0 | 0 | 0 | 113 | A309 W311 A312 C384 V392 L422 R425 | A309-L427 HydrophobicContact CB-CD2 4.33Å; W311-L427 HydrophobicContact CH2-CB 4.34Å; W311-L427 HydrophobicContact CH2-CD2 3.61Å; W311-L427 HydrophobicContact CZ2-CD2 3.93Å; W311-L427 HydrophobicContact CZ3-CD2 4.36Å; A312-L427 HydrophobicContact CB-CD2 4.06Å; C384-L427 HydrophobicContact CB-CD1 3.84Å; V392-L427 HydrophobicContact CG1-CB 4.27Å; L422-L427 HydrophobicContact CB-CB 4.21Å; L422-L427 HydrophobicContact CD2-CB 4.06Å; L422-L427 HydrophobicContact CD2-CD1 3.78Å; L422-L427 PolarHBondContact O-N 2.83Å; R425-L427 HydrophobicContact CB-CD1 3.85Å; R425-L427 HydrophobicContact CB-CG 3.75Å; R425-L427 PolarHBondContact O-N 3.04Å | ||
| 428 | L | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -99.2 | 128.5 | 170.1 | -59.1 | 178.5 | 0 | 0 | 0 | 108.7 | V396 L419 L422 L436 F470 F474 | V396-L428 HydrophobicContact CG1-CD2 4.34Å; V396-L428 HydrophobicContact CG2-CD2 3.71Å; L419-L428 HydrophobicContact CD2-CD2 4.37Å; L419-L428 WeakPolarHBondContact O-CD1 3.41Å; L422-L428 HydrophobicContact CB-CD1 4.48Å; L422-L428 HydrophobicContact CB-CD2 3.79Å; L422-L428 HydrophobicContact CB-CG 3.86Å; L422-L428 HydrophobicContact CD1-CD2 4.09Å; L428-L436 HydrophobicContact CB-CD1 4.41Å; L428-L436 HydrophobicContact CD1-CD1 4Å; L428-L436 HydrophobicContact CD2-CD1 4.23Å; L428-L436 HydrophobicContact CG-CD1 4.45Å; L428-F470 HydrophobicContact CD1-CE1 4.02Å; L428-F474 HydrophobicContact CB-CE1 4.38Å; L428-F474 HydrophobicContact CB-CE2 4.37Å; L428-F474 HydrophobicContact CB-CZ 3.61Å; L428-F474 VanDerWaalsContact O-CE1 3.27Å; L428-F474 WeakPolarHBondContact O-CE1 3.41Å |
| 429 | L | 92.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | trans | -100.7 | 154.4 | -178.4 | -57.9 | 180 | 0 | 0 | 0 | 111.8 | W311 K389 E431 H432 | W311-L429 HydrophobicContact CE3-CD2 4.34Å; W311-L429 HydrophobicContact CZ3-CD2 4.36Å; K389-L429 HydrophobicContact CD-CD1 4.08Å; K389-L429 HydrophobicContact CG-CD1 4.06Å; L429-E431 HydrophobicContact CB-CG 3.92Å; L429-E431 PolarHBondContact O-N 2.96Å; L429-H432 PolarHBondContact N-ND1 3.02Å; L429-H432 WeakPolarHBondContact O-CB 3.2Å; L429-H432 PolarHBondContact O-N 3.25Å | ||
| 430 | P | 91.8 | Very high | 93.7 | Very high | 44 Ų | 44 | 28.4 Ų | 28.4 | 29% | 0.286 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -53.9 | -34.6 | 179.8 | -29.2 | 36.3 | 0 | 0 | 0 | 114.5 | Y313 H432 L433 D478 | Y313-P430 HydrophobicContact CD2-CG 3.95Å; Y313-P430 HydrophobicContact CE2-CG 3.58Å; P430-H432 PolarHBondContact O-N 3.01Å; P430-H432 VanDerWaalsContact O-N 3.11Å; P430-L433 HydrophobicContact CB-CD1 4.33Å; P430-L433 VanDerWaalsContact O-CB 3.26Å; P430-L433 WeakPolarHBondContact O-CB 3.18Å; P430-L433 PolarHBondContact O-N 3.37Å; P430-D478 HydrophobicContact CB-CB 4.35Å; P430-D478 HydrophobicContact CG-CB 4.36Å |
| 431 | E | 92.8 | Very high | 93.6 | Very high | 116 Ų | 116 | 30.9 Ų | 30.9 | 54% | 0.542 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -57 | -25.4 | 175.6 | 64.5 | -163.2 | -152.6 | 0 | 0 | 113.8 | K389 L429 | K389-E431 IonicContact NZ-OE2 2.75Å; L429-E431 HydrophobicContact CB-CG 3.92Å; L429-E431 PolarHBondContact O-N 2.96Å |
| 432 | H | 94.5 | Very high | 93.5 | Very high | 20 Ų | 20 | 36.8 Ų | 36.8 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -84.2 | -18.6 | 176.8 | -57.2 | 127.2 | 0 | 0 | 0 | 113.2 | L429 P430 R435 L436 | L429-H432 PolarHBondContact N-ND1 3.02Å; L429-H432 WeakPolarHBondContact O-CB 3.2Å; L429-H432 PolarHBondContact O-N 3.25Å; P430-H432 PolarHBondContact O-N 3.01Å; P430-H432 VanDerWaalsContact O-N 3.11Å; H432-R435 PolarHBondContact O-N 3.47Å; H432-L436 HydrophobicContact CB-CD1 3.66Å; H432-L436 HydrophobicContact CB-CG 4.05Å; H432-L436 VanDerWaalsContact O-CG 3.25Å; H432-L436 WeakPolarHBondContact O-CG 3.47Å; H432-L436 PolarHBondContact O-N 3.47Å |
| 433 | L | 93.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.7 | -46.3 | -170.3 | -77.8 | 173.6 | 0 | 0 | 0 | 114.7 | P430 R435 L436 V437 F474 D478 L479 F482 | P430-L433 HydrophobicContact CB-CD1 4.33Å; P430-L433 VanDerWaalsContact O-CB 3.26Å; P430-L433 WeakPolarHBondContact O-CB 3.18Å; P430-L433 PolarHBondContact O-N 3.37Å; L433-R435 VanDerWaalsContact C-N 3.3Å; L433-R435 PolarHBondContact O-N 3.32Å; L433-L436 PolarHBondContact O-N 3.34Å; L433-L436 VanDerWaalsContact O-N 3.12Å; L433-V437 WeakPolarHBondContact O-CG2 3.2Å; L433-V437 PolarHBondContact O-N 2.87Å; L433-F474 HydrophobicContact CD1-CD1 4.04Å; L433-F474 HydrophobicContact CD1-CE1 4.21Å; L433-F474 HydrophobicContact CD1-CG 4.28Å; L433-F474 HydrophobicContact CD2-CD1 4.26Å; L433-F474 HydrophobicContact CD2-CD2 3.75Å; L433-F474 HydrophobicContact CD2-CE1 3.98Å; L433-F474 HydrophobicContact CD2-CE2 3.44Å; L433-F474 VanDerWaalsContact CD2-CE2 3.44Å; L433-F474 HydrophobicContact CD2-CG 4.14Å; L433-F474 HydrophobicContact CD2-CZ 3.54Å; L433-F474 HydrophobicContact CG-CD1 4.33Å; L433-F474 HydrophobicContact CG-CE1 4.02Å; L433-F474 HydrophobicContact CG-CE2 4.37Å; L433-F474 HydrophobicContact CG-CZ 4.02Å; L433-D478 HydrophobicContact CD1-CB 4.05Å; L433-D478 WeakPolarHBondContact CD1-O 3.36Å; L433-L479 HydrophobicContact CD1-CD2 4.28Å; L433-L479 HydrophobicContact CD2-CD2 3.8Å; L433-F482 HydrophobicContact CB-CE2 3.86Å; L433-F482 HydrophobicContact CB-CZ 4.38Å |
| 434 | P | 94.8 | Very high | 93.7 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 50% | 0.5 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.6 | -44.2 | -179 | -21.3 | 28.1 | 0 | 0 | 0 | 112.7 | G438 F482 | P434-G438 PolarHBondContact O-N 2.59Å; P434-F482 HydrophobicContact CB-CE1 4.35Å; P434-F482 HydrophobicContact CB-CZ 4.1Å; P434-F482 HydrophobicContact CG-CZ 3.91Å |
| 435 | R | 95.1 | Very high | 93.9 | Very high | 116 Ų | 116 | 35 Ų | 35 | 44% | 0.438 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.7 | -39 | 179.1 | -164.3 | 178.4 | -177.9 | -160.8 | -7.8 | 111.1 | N397 V400 D401 H432 L433 V439 | N397-R435 PolarHBondContact OD1-NH1 2.86Å; N397-R435 VanDerWaalsContact OD1-NH1 3.15Å; V400-R435 HydrophobicContact CG1-CG 3.98Å; V400-R435 VanDerWaalsContact CG1-CZ 3.4Å; D401-R435 IonicContact OD1-CZ 3.52Å; D401-R435 IonicContact OD1-NH2 2.64Å; D401-R435 PolarHBondContact OD1-NH2 2.94Å; H432-R435 PolarHBondContact O-N 3.47Å; L433-R435 VanDerWaalsContact C-N 3.3Å; L433-R435 PolarHBondContact O-N 3.32Å; R435-V439 PolarHBondContact O-N 3.28Å; R435-V439 VanDerWaalsContact O-N 3.16Å |
| 436 | L | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.4 | -45.9 | 179.9 | -68.2 | 177.8 | 0 | 0 | 0 | 112.6 | V400 L419 L428 H432 L433 G438 V439 M440 F470 | V400-L436 HydrophobicContact CG2-CD2 3.99Å; L419-L436 HydrophobicContact CD1-CD2 3.88Å; L419-L436 HydrophobicContact CD2-CD2 3.58Å; L419-L436 HydrophobicContact CG-CD2 4.36Å; L428-L436 HydrophobicContact CB-CD1 4.41Å; L428-L436 HydrophobicContact CD1-CD1 4Å; L428-L436 HydrophobicContact CD2-CD1 4.23Å; L428-L436 HydrophobicContact CG-CD1 4.45Å; H432-L436 HydrophobicContact CB-CD1 3.66Å; H432-L436 HydrophobicContact CB-CG 4.05Å; H432-L436 VanDerWaalsContact O-CG 3.25Å; H432-L436 WeakPolarHBondContact O-CG 3.47Å; H432-L436 PolarHBondContact O-N 3.47Å; L433-L436 PolarHBondContact O-N 3.34Å; L433-L436 VanDerWaalsContact O-N 3.12Å; L436-G438 VanDerWaalsContact C-N 3.34Å; L436-G438 PolarHBondContact O-N 3.04Å; L436-V439 WeakPolarHBondContact O-CG2 3.33Å; L436-V439 PolarHBondContact O-N 3.2Å; L436-M440 VanDerWaalsContact O-CG 3.28Å; L436-M440 WeakPolarHBondContact O-CG 3.36Å; L436-M440 PolarHBondContact O-N 3.44Å; L436-F470 HydrophobicContact CB-CZ 3.98Å; L436-F470 HydrophobicContact CD1-CZ 4.48Å |
| 437 | V | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | L433 V439 M440 Q441 F470 F482 L486 | L433-V437 WeakPolarHBondContact O-CG2 3.2Å; L433-V437 PolarHBondContact O-N 2.87Å; V437-V439 VanDerWaalsContact C-N 3.33Å; V437-V439 PolarHBondContact O-N 3.41Å; V437-M440 PolarHBondContact O-N 2.78Å; V437-Q441 PolarHBondContact O-N 3.43Å; V437-F470 HydrophobicContact CG2-CE2 4.46Å; V437-F482 HydrophobicContact CB-CD1 4.06Å; V437-F482 HydrophobicContact CB-CG 4.31Å; V437-F482 HydrophobicContact CG1-CB 4.12Å; V437-F482 HydrophobicContact CG1-CD1 3.94Å; V437-F482 HydrophobicContact CG1-CG 4.23Å; V437-F482 HydrophobicContact CG2-CB 4.03Å; V437-F482 HydrophobicContact CG2-CD1 4.06Å; V437-F482 HydrophobicContact CG2-CD2 4.18Å; V437-F482 HydrophobicContact CG2-CG 3.81Å; V437-L486 HydrophobicContact CG1-CD2 4.12Å; V437-L486 HydrophobicContact CG1-CG 4.26Å; V437-L486 HydrophobicContact CG2-CD1 4.4Å |
| 438 | G | 95.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 19% | 0.186 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -35.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | P434 L436 R442 | P434-G438 PolarHBondContact O-N 2.59Å; L436-G438 VanDerWaalsContact C-N 3.34Å; L436-G438 PolarHBondContact O-N 3.04Å; G438-R442 PolarHBondContact O-NH1 2.75Å |
| 439 | V | 95.7 | Very high | 91 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.3 | -31.3 | 173.4 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | V400 F403 L419 R435 L436 V437 R442 G443 | V400-V439 HydrophobicContact CG1-CG1 3.93Å; F403-V439 HydrophobicContact CB-CB 4.33Å; F403-V439 HydrophobicContact CB-CG1 4.14Å; F403-V439 HydrophobicContact CD1-CB 4.35Å; F403-V439 HydrophobicContact CD2-CB 4.43Å; F403-V439 HydrophobicContact CG-CB 4.13Å; F403-V439 HydrophobicContact CG-CG1 4.35Å; L419-V439 HydrophobicContact CD1-CG2 4.38Å; R435-V439 PolarHBondContact O-N 3.28Å; R435-V439 VanDerWaalsContact O-N 3.16Å; L436-V439 WeakPolarHBondContact O-CG2 3.33Å; L436-V439 PolarHBondContact O-N 3.2Å; V437-V439 VanDerWaalsContact C-N 3.33Å; V437-V439 PolarHBondContact O-N 3.41Å; V439-R442 PolarHBondContact O-N 2.91Å; V439-G443 PolarHBondContact O-N 3Å |
| 440 | M | 96 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.8 | -40.4 | 177.4 | -72.2 | -52.9 | 99.2 | 0 | 0 | 112.3 | F403 L419 L436 V437 R442 G443 L444 A463 V466 F470 | F403-M440 HydrophobicContact CE1-CE 3.87Å; F403-M440 HydrophobicContact CZ-CE 3.82Å; L419-M440 HydrophobicContact CD1-CE 3.67Å; L436-M440 VanDerWaalsContact O-CG 3.28Å; L436-M440 WeakPolarHBondContact O-CG 3.36Å; L436-M440 PolarHBondContact O-N 3.44Å; V437-M440 PolarHBondContact O-N 2.78Å; M440-R442 VanDerWaalsContact C-N 3.33Å; M440-R442 PolarHBondContact O-N 3.41Å; M440-G443 CarbonylContact O-C 3.6Å; M440-G443 WeakPolarHBondContact O-CA 3.5Å; M440-G443 PolarHBondContact O-N 2.73Å; M440-G443 VanDerWaalsContact O-N 3.11Å; M440-L444 VanDerWaalsContact O-CG 3.3Å; M440-L444 WeakPolarHBondContact O-CG 3.39Å; M440-L444 PolarHBondContact O-N 3.01Å; M440-A463 HydrophobicContact SD-CB 4.23Å; M440-V466 HydrophobicContact CE-CB 4.5Å; M440-V466 HydrophobicContact CE-CG1 4.3Å; M440-V466 HydrophobicContact CE-CG2 4.37Å; M440-V466 HydrophobicContact CG-CB 4.37Å; M440-V466 HydrophobicContact CG-CG1 3.89Å; M440-V466 HydrophobicContact SD-CB 3.35Å; M440-V466 WeakPolarHBondContact SD-CB 3.3Å; M440-V466 HydrophobicContact SD-CG1 3.37Å; M440-V466 WeakPolarHBondContact SD-CG1 3.43Å; M440-V466 HydrophobicContact SD-CG2 3.76Å; M440-F470 HydrophobicContact CG-CE2 4.02Å; M440-F470 HydrophobicContact CG-CZ 4.09Å |
| 441 | Q | 94.4 | Very high | 87.1 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56 | -48.9 | 171.1 | -74 | 173.2 | -25.8 | 0 | 0 | 111.2 | V437 G443 L444 Y445 E485 | V437-Q441 PolarHBondContact O-N 3.43Å; Q441-G443 VanDerWaalsContact C-N 3.29Å; Q441-G443 PolarHBondContact O-N 2.93Å; Q441-L444 PolarHBondContact O-N 3.2Å; Q441-Y445 VanDerWaalsContact O-CD2 3.27Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.34Å; Q441-Y445 PolarHBondContact O-N 3.37Å; Q441-E485 PolarHBondContact NE2-OE2 2.8Å |
| 442 | R | 93.8 | Very high | 85 | Confident | 128 Ų | 128 | 52.7 Ų | 52.7 | 48% | 0.483 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 175.8 | -65.6 | -166.6 | -62.7 | -90.3 | 7.4 | 112.6 | W412 G438 V439 M440 Y445 Y446 | W412-R442 HydrophobicContact CH2-CB 4.05Å; W412-R442 HydrophobicContact CZ3-CB 4.09Å; G438-R442 PolarHBondContact O-NH1 2.75Å; V439-R442 PolarHBondContact O-N 2.91Å; M440-R442 VanDerWaalsContact C-N 3.33Å; M440-R442 PolarHBondContact O-N 3.41Å; R442-Y445 CarbonylContact O-C 3.55Å; R442-Y445 PolarHBondContact O-N 2.84Å; R442-Y446 PolarHBondContact O-N 3.32Å; R442-Y446 VanDerWaalsContact O-N 3.14Å |
| 443 | G | 95 | Very high | 82.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | V439 M440 Q441 Y445 Y446 R460 | V439-G443 PolarHBondContact O-N 3Å; M440-G443 CarbonylContact O-C 3.6Å; M440-G443 WeakPolarHBondContact O-CA 3.5Å; M440-G443 PolarHBondContact O-N 2.73Å; M440-G443 VanDerWaalsContact O-N 3.11Å; Q441-G443 VanDerWaalsContact C-N 3.29Å; Q441-G443 PolarHBondContact O-N 2.93Å; G443-Y445 PolarHBondContact O-N 2.93Å; G443-Y446 WeakPolarHBondContact O-CB 3.41Å; G443-Y446 PolarHBondContact O-N 3.19Å; G443-R460 WeakPolarHBondContact O-CG 3.39Å |
| 444 | L | 96.5 | Very high | 81.1 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -26.9 | 177.1 | -72.1 | 171.5 | 0 | 0 | 0 | 112.7 | M440 Q441 R460 A463 C464 L490 V493 | M440-L444 VanDerWaalsContact O-CG 3.3Å; M440-L444 WeakPolarHBondContact O-CG 3.39Å; M440-L444 PolarHBondContact O-N 3.01Å; Q441-L444 PolarHBondContact O-N 3.2Å; L444-R460 WeakPolarHBondContact O-CD 3.07Å; L444-R460 WeakPolarHBondContact O-CG 3.36Å; L444-A463 HydrophobicContact CD2-CB 4.02Å; L444-A463 HydrophobicContact CG-CB 4.17Å; L444-C464 WeakPolarHBondContact CD2-SG 3.44Å; L444-L490 HydrophobicContact CD1-CD2 4.29Å; L444-L490 HydrophobicContact CD2-CD2 4.19Å; L444-V493 HydrophobicContact CB-CG2 4.04Å; L444-V493 HydrophobicContact CD2-CG2 4.23Å |
| 445 | Y | 92.2 | Very high | 80 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 29% | 0.29 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 14.2 | 176.1 | -67.2 | -74.2 | 0 | 0 | 0 | 113.8 | Q441 R442 G443 D447 C492 D562 | Q441-Y445 VanDerWaalsContact O-CD2 3.27Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.34Å; Q441-Y445 PolarHBondContact O-N 3.37Å; R442-Y445 CarbonylContact O-C 3.55Å; R442-Y445 PolarHBondContact O-N 2.84Å; G443-Y445 PolarHBondContact O-N 2.93Å; Y445-D447 PolarHBondContact O-N 2.82Å; Y445-D447 VanDerWaalsContact O-N 3.15Å; Y445-C492 WeakPolarHBondContact OH-CB 3.45Å; Y445-D562 WeakPolarHBondContact CE1-OD1 3.42Å |
| 446 | Y | 91.3 | Very high | 79.7 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 11% | 0.114 | 28% | 0.279 | C | S | . | . | trans | -69.6 | 114.4 | -178.7 | -170.3 | -90.6 | 0 | 0 | 0 | 111 | L409 W412 R442 G443 V459 R460 | L409-Y446 HydrophobicContact CB-CE1 4.27Å; L409-Y446 HydrophobicContact CD1-CE1 4.18Å; L409-Y446 HydrophobicContact CG-CE1 4.36Å; W412-Y446 AromaticContact CD1-CE2 3.97Å; W412-Y446 AromaticContact CD2-CD2 3.55Å; W412-Y446 HydrophobicContact CD2-CD2 3.55Å; W412-Y446 AromaticContact CD2-CE2 3.42Å; W412-Y446 HydrophobicContact CD2-CE2 3.42Å; W412-Y446 VanDerWaalsContact CD2-CE2 3.42Å; W412-Y446 HydrophobicContact CD2-CG 4.46Å; W412-Y446 AromaticContact CE2-CD2 3.88Å; W412-Y446 AromaticContact CE2-CE2 3.5Å; W412-Y446 VanDerWaalsContact CE2-CE2 3.5Å; W412-Y446 AromaticContact CE3-CD2 3.4Å; W412-Y446 HydrophobicContact CE3-CD2 3.4Å; W412-Y446 AromaticContact CE3-CE2 3.82Å; W412-Y446 HydrophobicContact CE3-CE2 3.82Å; W412-Y446 HydrophobicContact CE3-CG 4.11Å; W412-Y446 HydrophobicContact CG-CD2 4.22Å; W412-Y446 AromaticContact CG-CE2 3.75Å; W412-Y446 HydrophobicContact CG-CE2 3.75Å; W412-Y446 AromaticContact CH2-CD2 3.94Å; W412-Y446 HydrophobicContact CH2-CD2 3.94Å; W412-Y446 HydrophobicContact CH2-CE2 4.31Å; W412-Y446 HydrophobicContact CZ2-CD2 4.08Å; W412-Y446 AromaticContact CZ2-CE2 3.96Å; W412-Y446 HydrophobicContact CZ2-CE2 3.96Å; W412-Y446 AromaticContact CZ3-CD2 3.61Å; W412-Y446 HydrophobicContact CZ3-CD2 3.61Å; W412-Y446 HydrophobicContact CZ3-CE2 4.25Å; W412-Y446 HydrophobicContact CZ3-CG 4.46Å; W412-Y446 AromaticContact NE1-CE2 3.82Å; R442-Y446 PolarHBondContact O-N 3.32Å; R442-Y446 VanDerWaalsContact O-N 3.14Å; G443-Y446 WeakPolarHBondContact O-CB 3.41Å; G443-Y446 PolarHBondContact O-N 3.19Å; Y446-V459 HydrophobicContact CD1-CB 3.72Å; Y446-V459 HydrophobicContact CD1-CG1 3.96Å; Y446-V459 HydrophobicContact CD1-CG2 3.77Å; Y446-V459 HydrophobicContact CD2-CG1 4.45Å; Y446-V459 HydrophobicContact CE1-CB 4.41Å; Y446-V459 HydrophobicContact CE1-CG2 3.94Å; Y446-V459 HydrophobicContact CG-CB 4.08Å; Y446-V459 HydrophobicContact CG-CG1 3.8Å; Y446-V459 HydrophobicContact CG-CG2 4.42Å; Y446-R460 WeakPolarHBondContact O-CD 3.46Å; Y446-R460 WeakPolarHBondContact O-CG 3.22Å; Y446-R460 PolarHBondContact O-NH1 2.8Å | ||
| 447 | D | 81.9 | Confident | 79.5 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | trans | -94.2 | -26.6 | 178.3 | -163.2 | 29 | 0 | 0 | 0 | 112.7 | Y445 N449 G456 R460 | Y445-D447 PolarHBondContact O-N 2.82Å; Y445-D447 VanDerWaalsContact O-N 3.15Å; D447-N449 PolarHBondContact O-N 3.31Å; D447-N449 PolarHBondContact OD2-ND2 3.4Å; D447-G456 PolarHBondContact O-N 3.42Å; D447-G456 VanDerWaalsContact O-N 3.09Å; D447-R460 IonicContact OD1-NH1 3.93Å | ||
| 448 | G | 70.7 | Confident | 79.4 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | trans | 66.6 | 18.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R450 | G448-R450 VanDerWaalsContact C-N 3.34Å; G448-R450 PolarHBondContact O-N 2.98Å | ||
| 449 | N | 61.6 | Low | 79.4 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | trans | -71.9 | 82.2 | -170 | -143.7 | -11.1 | 0 | 0 | 0 | 111.5 | D447 G452 | D447-N449 PolarHBondContact O-N 3.31Å; D447-N449 PolarHBondContact OD2-ND2 3.4Å; N449-G452 WeakPolarHBondContact OD1-CA 3.29Å; N449-G452 PolarHBondContact OD1-N 2.9Å | ||
| 450 | R | 53.1 | Low | 79.4 | Confident | 137 Ų | 137 | 58.6 Ų | 58.6 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -109.7 | 116.6 | 160.8 | -63.5 | -173 | -170.7 | 179.8 | 4.6 | 106 | P405 L406 H407 G448 | P405-R450 PolarHBondContact O-NH2 2.78Å; L406-R450 VanDerWaalsContact C-NH2 3.35Å; L406-R450 PolarHBondContact O-NH2 3.09Å; H407-R450 PolarHBondContact O-NH2 2.89Å; G448-R450 VanDerWaalsContact C-N 3.34Å; G448-R450 PolarHBondContact O-N 2.98Å |
| 451 | Y | 49.7 | Very low | 79.5 | Confident | 223 Ų | 223 | 61.6 Ų | 61.6 | 88% | 0.875 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 25.2 | 178.3 | -44.6 | -76.1 | 0 | 0 | 0 | 117.4 | ||
| 452 | G | 49.3 | Very low | 79.6 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 7.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N449 | N449-G452 WeakPolarHBondContact OD1-CA 3.29Å; N449-G452 PolarHBondContact OD1-N 2.9Å |
| 453 | F | 48.3 | Very low | 79.8 | Confident | 170 Ų | 170 | 53.1 Ų | 53.1 | 75% | 0.746 | 28% | 0.279 | S | S | * | . | B | Isolated β-bridge | trans | -104.6 | 118.8 | 170.6 | -71.8 | -85 | 0 | 0 | 0 | 110.5 | G455 | F453-G455 VanDerWaalsContact C-N 3.26Å; F453-G455 PolarHBondContact O-N 3.2Å |
| 454 | S | 57 | Low | 79.9 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | trans | -74.5 | 76 | 173.1 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | G456 | S454-G456 VanDerWaalsContact C-N 3.31Š| ||
| 455 | G | 72.5 | Confident | 80 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 38% | 0.381 | 29% | 0.288 | S | S | . | . | trans | -79.1 | -10.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L409 F453 A457 | L409-G455 VanDerWaalsContact CD1-C 3.46Å; L409-G455 WeakPolarHBondContact CD1-O 3.04Å; F453-G455 VanDerWaalsContact C-N 3.26Å; F453-G455 PolarHBondContact O-N 3.2Å; G455-A457 PolarHBondContact O-N 3.34Å; G455-A457 VanDerWaalsContact O-N 3.08Å | ||
| 456 | G | 87.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | D447 S454 I458 V459 R460 | D447-G456 PolarHBondContact O-N 3.42Å; D447-G456 VanDerWaalsContact O-N 3.09Å; S454-G456 VanDerWaalsContact C-N 3.31Å; G456-I458 VanDerWaalsContact C-N 3.29Å; G456-I458 PolarHBondContact O-N 3.39Å; G456-I458 VanDerWaalsContact O-N 3.17Å; G456-V459 WeakPolarHBondContact O-CB 3.5Å; G456-V459 PolarHBondContact O-N 3.21Å; G456-R460 PolarHBondContact O-N 2.67Å; G456-R460 VanDerWaalsContact O-N 3.15Å |
| 457 | A | 92.4 | Very high | 80.5 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.5 | -40.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G455 V459 R460 D461 E499 C502 | G455-A457 PolarHBondContact O-N 3.34Å; G455-A457 VanDerWaalsContact O-N 3.08Å; A457-V459 VanDerWaalsContact C-N 3.26Å; A457-V459 PolarHBondContact O-N 2.76Å; A457-R460 PolarHBondContact O-N 3.14Å; A457-D461 WeakPolarHBondContact O-CB 3.3Å; A457-D461 PolarHBondContact O-N 2.83Å; A457-E499 HydrophobicContact CB-CB 4.33Å; A457-E499 HydrophobicContact CB-CG 3.75Å; A457-C502 PolarHBondContact O-SG 3.08Å |
| 458 | I | 93.4 | Very high | 81.1 | Confident | 55 Ų | 55 | 50.3 Ų | 50.3 | 28% | 0.282 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.1 | -34.4 | 179 | 70.7 | 169.5 | 0 | 0 | 0 | 111.9 | L409 H413 G456 A462 | L409-I458 HydrophobicContact CD1-CG1 4.48Å; L409-I458 HydrophobicContact CD2-CD1 3.41Å; L409-I458 VanDerWaalsContact CD2-CD1 3.41Å; L409-I458 HydrophobicContact CD2-CG1 3.89Å; L409-I458 HydrophobicContact CG-CD1 4.35Å; L409-I458 HydrophobicContact CG-CG1 4.34Å; H413-I458 HydrophobicContact CB-CD1 4.03Å; H413-I458 HydrophobicContact CB-CG1 4.29Å; H413-I458 PolarHBondContact CD2-O 3.11Å; H413-I458 VanDerWaalsContact CD2-O 3.22Å; G456-I458 VanDerWaalsContact C-N 3.29Å; G456-I458 PolarHBondContact O-N 3.39Å; G456-I458 VanDerWaalsContact O-N 3.17Å; I458-A462 VanDerWaalsContact O-CB 3.23Å; I458-A462 WeakPolarHBondContact O-CB 3.37Å; I458-A462 PolarHBondContact O-N 3.4Å |
| 459 | V | 95.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.2 | -43 | 179.1 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | L409 W412 H413 Y446 G456 A457 A462 A463 | L409-V459 HydrophobicContact CD1-CG2 4.47Å; L409-V459 HydrophobicContact CG-CG2 3.97Å; W412-V459 HydrophobicContact CB-CG1 3.85Å; W412-V459 HydrophobicContact CB-CG2 3.79Å; W412-V459 HydrophobicContact CE3-CG1 3.96Å; H413-V459 HydrophobicContact CB-CG2 4.13Å; Y446-V459 HydrophobicContact CD1-CB 3.72Å; Y446-V459 HydrophobicContact CD1-CG1 3.96Å; Y446-V459 HydrophobicContact CD1-CG2 3.77Å; Y446-V459 HydrophobicContact CD2-CG1 4.45Å; Y446-V459 HydrophobicContact CE1-CB 4.41Å; Y446-V459 HydrophobicContact CE1-CG2 3.94Å; Y446-V459 HydrophobicContact CG-CB 4.08Å; Y446-V459 HydrophobicContact CG-CG1 3.8Å; Y446-V459 HydrophobicContact CG-CG2 4.42Å; G456-V459 WeakPolarHBondContact O-CB 3.5Å; G456-V459 PolarHBondContact O-N 3.21Å; A457-V459 VanDerWaalsContact C-N 3.26Å; A457-V459 PolarHBondContact O-N 2.76Å; V459-A462 PolarHBondContact O-N 3.19Å; V459-A463 WeakPolarHBondContact O-CB 3.49Å; V459-A463 PolarHBondContact O-N 3.37Å |
| 460 | R | 96.1 | Very high | 83.7 | Confident | 23 Ų | 23 | 45.1 Ų | 45.1 | 9% | 0.087 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 176.5 | -60.6 | -165.7 | -64.6 | -114.5 | 15.5 | 111.6 | G443 L444 Y446 D447 G456 A457 A462 A463 C464 D497 | G443-R460 WeakPolarHBondContact O-CG 3.39Å; L444-R460 WeakPolarHBondContact O-CD 3.07Å; L444-R460 WeakPolarHBondContact O-CG 3.36Å; Y446-R460 WeakPolarHBondContact O-CD 3.46Å; Y446-R460 WeakPolarHBondContact O-CG 3.22Å; Y446-R460 PolarHBondContact O-NH1 2.8Å; D447-R460 IonicContact OD1-NH1 3.93Å; G456-R460 PolarHBondContact O-N 2.67Å; G456-R460 VanDerWaalsContact O-N 3.15Å; A457-R460 PolarHBondContact O-N 3.14Å; R460-A462 PolarHBondContact O-N 2.88Å; R460-A463 WeakPolarHBondContact O-CB 3.26Å; R460-A463 PolarHBondContact O-N 3.47Å; R460-C464 PolarHBondContact O-N 3.44Å; R460-C464 PolarHBondContact O-SG 3.44Å; R460-C464 VanDerWaalsContact O-SG 3.33Å; R460-D497 WeakPolarHBondContact CD-OD2 3.49Å; R460-D497 IonicContact CZ-OD1 2.69Å; R460-D497 IonicContact CZ-OD2 3.58Å; R460-D497 IonicContact NE-OD1 3.53Å; R460-D497 IonicContact NE-OD2 3.86Å; R460-D497 PolarHBondContact NE-OD2 2.97Å; R460-D497 IonicContact NH2-OD1 3.84Å; R460-D497 PolarHBondContact NH2-OD1 3.27Å; R460-D497 IonicContact NH2-OD2 3.17Å; R460-D497 PolarHBondContact NH2-OD2 3Å |
| 461 | D | 96.5 | Very high | 85.4 | Confident | 63 Ų | 63 | 38.6 Ų | 38.6 | 34% | 0.337 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 173.8 | -176.4 | 78.7 | 0 | 0 | 0 | 111.8 | A457 A463 C464 Y465 A505 | A457-D461 WeakPolarHBondContact O-CB 3.3Å; A457-D461 PolarHBondContact O-N 2.83Å; D461-A463 VanDerWaalsContact C-N 3.34Å; D461-A463 PolarHBondContact O-N 3.09Å; D461-C464 WeakPolarHBondContact O-CB 3.35Å; D461-C464 PolarHBondContact O-N 3.31Å; D461-Y465 PolarHBondContact O-N 3.47Å; D461-A505 VanDerWaalsContact OD1-CB 3.32Å; D461-A505 WeakPolarHBondContact OD1-CB 3.16Å |
| 462 | A | 97 | Very high | 87.1 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.3 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C416 L417 I458 V459 R460 Y465 V466 | C416-A462 HydrophobicContact CB-CB 3.46Å; C416-A462 VanDerWaalsContact CB-CB 3.46Å; L417-A462 HydrophobicContact CD2-CB 4.33Å; I458-A462 VanDerWaalsContact O-CB 3.23Å; I458-A462 WeakPolarHBondContact O-CB 3.37Å; I458-A462 PolarHBondContact O-N 3.4Å; V459-A462 PolarHBondContact O-N 3.19Å; R460-A462 PolarHBondContact O-N 2.88Å; A462-Y465 WeakPolarHBondContact O-CB 3.35Å; A462-Y465 PolarHBondContact O-N 3.23Å; A462-V466 WeakPolarHBondContact O-CG2 3.18Å; A462-V466 PolarHBondContact O-N 2.89Å |
| 463 | A | 97.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M440 L444 V459 R460 D461 Y465 V466 C467 | M440-A463 HydrophobicContact SD-CB 4.23Å; L444-A463 HydrophobicContact CD2-CB 4.02Å; L444-A463 HydrophobicContact CG-CB 4.17Å; V459-A463 WeakPolarHBondContact O-CB 3.49Å; V459-A463 PolarHBondContact O-N 3.37Å; R460-A463 WeakPolarHBondContact O-CB 3.26Å; R460-A463 PolarHBondContact O-N 3.47Å; D461-A463 VanDerWaalsContact C-N 3.34Å; D461-A463 PolarHBondContact O-N 3.09Å; A463-Y465 VanDerWaalsContact C-N 3.26Å; A463-Y465 PolarHBondContact O-N 3.35Å; A463-V466 WeakPolarHBondContact O-CB 3.45Å; A463-V466 PolarHBondContact O-N 2.82Å; A463-V466 VanDerWaalsContact O-N 3.1Å; A463-C467 PolarHBondContact O-N 3.19Å; A463-C467 PolarHBondContact O-SG 3.14Å |
| 464 | C | 98.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.8 | -40.2 | 169.5 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | L444 R460 D461 V466 C467 W468 A505 A509 | L444-C464 WeakPolarHBondContact CD2-SG 3.44Å; R460-C464 PolarHBondContact O-N 3.44Å; R460-C464 PolarHBondContact O-SG 3.44Å; R460-C464 VanDerWaalsContact O-SG 3.33Å; D461-C464 WeakPolarHBondContact O-CB 3.35Å; D461-C464 PolarHBondContact O-N 3.31Å; C464-V466 VanDerWaalsContact C-N 3.32Å; C464-V466 PolarHBondContact O-N 2.87Å; C464-C467 PolarHBondContact O-N 3.23Å; C464-W468 WeakPolarHBondContact O-CB 3.4Å; C464-W468 PolarHBondContact O-N 2.81Å; C464-A505 HydrophobicContact CB-CB 3.71Å; C464-A509 WeakPolarHBondContact O-CB 3.44Å |
| 465 | Y | 97.2 | Very high | 92.4 | Very high | 49 Ų | 49 | 22.2 Ų | 22.2 | 19% | 0.192 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.6 | -35.1 | 175.6 | -177.3 | -130.7 | 0 | 0 | 0 | 113.1 | W374 A420 R424 D461 A462 A463 W468 S469 | W374-Y465 HydrophobicContact CH2-CD1 4.3Å; W374-Y465 AromaticContact CH2-CE1 3.86Å; W374-Y465 HydrophobicContact CH2-CE1 3.86Å; W374-Y465 HydrophobicContact CZ2-CE1 4.45Å; A420-Y465 HydrophobicContact CB-CD1 3.32Å; A420-Y465 HydrophobicContact CB-CE1 3.39Å; A420-Y465 HydrophobicContact CB-CG 4.11Å; R424-Y465 VanDerWaalsContact CD-OH 3.28Å; R424-Y465 WeakPolarHBondContact CD-OH 3.29Å; R424-Y465 PolarHBondContact NH1-OH 3.25Å; D461-Y465 PolarHBondContact O-N 3.47Å; A462-Y465 WeakPolarHBondContact O-CB 3.35Å; A462-Y465 PolarHBondContact O-N 3.23Å; A463-Y465 VanDerWaalsContact C-N 3.26Å; A463-Y465 PolarHBondContact O-N 3.35Å; Y465-W468 HydrophobicContact CD2-CE3 4.11Å; Y465-W468 AromaticContact CE2-CE3 3.84Å; Y465-W468 HydrophobicContact CE2-CE3 3.84Å; Y465-W468 HydrophobicContact CE2-CZ3 4.09Å; Y465-S469 PolarHBondContact O-N 3.04Å |
| 466 | V | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.3 | -47.1 | 172 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | C416 L419 A420 M440 A462 A463 C464 W468 S469 F470 | C416-V466 HydrophobicContact CB-CG2 4Å; C416-V466 WeakPolarHBondContact O-CG2 3.38Å; L419-V466 HydrophobicContact CB-CG1 4.1Å; L419-V466 HydrophobicContact CB-CG2 4Å; A420-V466 HydrophobicContact CB-CG2 4Å; M440-V466 HydrophobicContact CE-CB 4.5Å; M440-V466 HydrophobicContact CE-CG1 4.3Å; M440-V466 HydrophobicContact CE-CG2 4.37Å; M440-V466 HydrophobicContact CG-CB 4.37Å; M440-V466 HydrophobicContact CG-CG1 3.89Å; M440-V466 HydrophobicContact SD-CB 3.35Å; M440-V466 WeakPolarHBondContact SD-CB 3.3Å; M440-V466 HydrophobicContact SD-CG1 3.37Å; M440-V466 WeakPolarHBondContact SD-CG1 3.43Å; M440-V466 HydrophobicContact SD-CG2 3.76Å; A462-V466 WeakPolarHBondContact O-CG2 3.18Å; A462-V466 PolarHBondContact O-N 2.89Å; A463-V466 WeakPolarHBondContact O-CB 3.45Å; A463-V466 PolarHBondContact O-N 2.82Å; A463-V466 VanDerWaalsContact O-N 3.1Å; C464-V466 VanDerWaalsContact C-N 3.32Å; C464-V466 PolarHBondContact O-N 2.87Å; V466-W468 VanDerWaalsContact C-N 3.3Å; V466-W468 PolarHBondContact O-N 3.36Å; V466-S469 CarbonylContact O-C 3.52Å; V466-S469 WeakPolarHBondContact O-CA 3.33Å; V466-S469 WeakPolarHBondContact O-CB 3.45Å; V466-S469 PolarHBondContact O-N 3.24Å; V466-S469 PolarHBondContact O-OG 2.75Å; V466-F470 HydrophobicContact CG1-CD1 4.07Å; V466-F470 HydrophobicContact CG1-CE1 3.4Å; V466-F470 HydrophobicContact CG1-CE2 4.2Å; V466-F470 HydrophobicContact CG1-CZ 3.46Å; V466-F470 VanDerWaalsContact CG1-CZ 3.46Å; V466-F470 WeakPolarHBondContact O-CD1 3.09Å; V466-F470 PolarHBondContact O-N 3.5Å |
| 467 | C | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.4 | -43 | 175.2 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | A463 C464 S469 F470 A471 L490 A509 | A463-C467 PolarHBondContact O-N 3.19Å; A463-C467 PolarHBondContact O-SG 3.14Å; C464-C467 PolarHBondContact O-N 3.23Å; C467-S469 VanDerWaalsContact C-N 3.27Å; C467-S469 PolarHBondContact O-N 2.65Å; C467-F470 WeakPolarHBondContact O-CB 3.45Å; C467-F470 PolarHBondContact O-N 3.07Å; C467-F470 VanDerWaalsContact O-N 3.14Å; C467-A471 PolarHBondContact O-N 3.06Å; C467-L490 HydrophobicContact CB-CD1 4.39Å; C467-L490 HydrophobicContact CB-CD2 4.26Å; C467-A509 HydrophobicContact CB-CB 4.18Å |
| 468 | W | 95.5 | Very high | 93.5 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 172.7 | -178.3 | 90.7 | 0 | 0 | 0 | 111.9 | R424 C464 Y465 V466 F470 A471 R472 A509 E512 | R424-W468 HydrophobicContact CG-CZ3 4.35Å; C464-W468 WeakPolarHBondContact O-CB 3.4Å; C464-W468 PolarHBondContact O-N 2.81Å; Y465-W468 HydrophobicContact CD2-CE3 4.11Å; Y465-W468 AromaticContact CE2-CE3 3.84Å; Y465-W468 HydrophobicContact CE2-CE3 3.84Å; Y465-W468 HydrophobicContact CE2-CZ3 4.09Å; V466-W468 VanDerWaalsContact C-N 3.3Å; V466-W468 PolarHBondContact O-N 3.36Å; W468-F470 VanDerWaalsContact C-N 3.35Å; W468-A471 WeakPolarHBondContact O-CB 3.49Å; W468-R472 VanDerWaalsContact CZ3-CD 3.44Å; W468-A509 HydrophobicContact CB-CB 3.99Å; W468-E512 VanDerWaalsContact CD1-CB 3.44Å; W468-E512 HydrophobicContact CG-CB 4.35Å; W468-E512 HydrophobicContact CG-CG 4.33Å; W468-E512 PolarHBondContact NE1-OE2 2.98Å |
| 469 | S | 93.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.8 | -33.2 | 175.6 | 83 | 0 | 0 | 0 | 0 | 112.9 | Y465 V466 C467 A471 R472 A473 | Y465-S469 PolarHBondContact O-N 3.04Å; V466-S469 CarbonylContact O-C 3.52Å; V466-S469 WeakPolarHBondContact O-CA 3.33Å; V466-S469 WeakPolarHBondContact O-CB 3.45Å; V466-S469 PolarHBondContact O-N 3.24Å; V466-S469 PolarHBondContact O-OG 2.75Å; C467-S469 VanDerWaalsContact C-N 3.27Å; C467-S469 PolarHBondContact O-N 2.65Å; S469-A471 VanDerWaalsContact C-N 3.34Å; S469-A471 PolarHBondContact O-N 2.86Å; S469-R472 CarbonylContact O-C 3.58Å; S469-R472 PolarHBondContact O-N 2.98Å; S469-R472 VanDerWaalsContact O-N 3.09Å; S469-A473 WeakPolarHBondContact O-CB 3.4Å; S469-A473 PolarHBondContact O-N 3.09Å |
| 470 | F | 93.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.6 | -69.9 | -5.8 | 0 | 0 | 0 | 111.8 | L428 L436 V437 M440 V466 C467 W468 R472 A473 F474 L479 | L428-F470 HydrophobicContact CD1-CE1 4.02Å; L436-F470 HydrophobicContact CB-CZ 3.98Å; L436-F470 HydrophobicContact CD1-CZ 4.48Å; V437-F470 HydrophobicContact CG2-CE2 4.46Å; M440-F470 HydrophobicContact CG-CE2 4.02Å; M440-F470 HydrophobicContact CG-CZ 4.09Å; V466-F470 HydrophobicContact CG1-CD1 4.07Å; V466-F470 HydrophobicContact CG1-CE1 3.4Å; V466-F470 HydrophobicContact CG1-CE2 4.2Å; V466-F470 HydrophobicContact CG1-CZ 3.46Å; V466-F470 VanDerWaalsContact CG1-CZ 3.46Å; V466-F470 WeakPolarHBondContact O-CD1 3.09Å; V466-F470 PolarHBondContact O-N 3.5Å; C467-F470 WeakPolarHBondContact O-CB 3.45Å; C467-F470 PolarHBondContact O-N 3.07Å; C467-F470 VanDerWaalsContact O-N 3.14Å; W468-F470 VanDerWaalsContact C-N 3.35Å; F470-R472 PolarHBondContact O-N 3.16Å; F470-R472 VanDerWaalsContact O-N 3.1Å; F470-A473 PolarHBondContact O-N 3.11Å; F470-F474 HydrophobicContact CB-CD2 4.04Å; F470-F474 HydrophobicContact CB-CE2 4.44Å; F470-F474 HydrophobicContact CD1-CD2 4.13Å; F470-F474 AromaticContact CD1-CE2 3.66Å; F470-F474 HydrophobicContact CD1-CE2 3.66Å; F470-F474 HydrophobicContact CE1-CE2 4.09Å; F470-F474 HydrophobicContact CG-CD2 4.19Å; F470-F474 HydrophobicContact CG-CE2 4.11Å; F470-F474 PolarHBondContact O-N 3.36Å; F470-L479 HydrophobicContact CB-CD1 4.12Å |
| 471 | A | 88.9 | Confident | 93.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.4 | -30.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | C467 W468 S469 E512 I513 R516 | C467-A471 PolarHBondContact O-N 3.06Å; W468-A471 WeakPolarHBondContact O-CB 3.49Å; S469-A471 VanDerWaalsContact C-N 3.34Å; S469-A471 PolarHBondContact O-N 2.86Å; A471-E512 HydrophobicContact CB-CB 4.15Å; A471-E512 HydrophobicContact CB-CG 3.61Å; A471-I513 HydrophobicContact CB-CB 4.38Å; A471-I513 HydrophobicContact CB-CG1 3.63Å; A471-R516 VanDerWaalsContact O-CD 3.32Å; A471-R516 WeakPolarHBondContact O-CD 3.24Å |
| 472 | R | 84.9 | Confident | 93.1 | Very high | 111 Ų | 111 | 33.2 Ų | 33.2 | 42% | 0.419 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -94.9 | -19.2 | -179.9 | -57.2 | -172.2 | 73.3 | 104.4 | 0.6 | 113.3 | W468 S469 F470 E512 | W468-R472 VanDerWaalsContact CZ3-CD 3.44Å; S469-R472 CarbonylContact O-C 3.58Å; S469-R472 PolarHBondContact O-N 2.98Å; S469-R472 VanDerWaalsContact O-N 3.09Å; F470-R472 PolarHBondContact O-N 3.16Å; F470-R472 VanDerWaalsContact O-N 3.1Å; R472-E512 HydrophobicContact CG-CG 4.41Å; R472-E512 IonicContact CZ-OE1 3.66Å; R472-E512 IonicContact NH1-OE1 3.75Å; R472-E512 PolarHBondContact NH1-OE1 2.84Å |
| 473 | A | 86.9 | Confident | 92.9 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -92.4 | -45.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y313 G423 S469 F470 | Y313-A473 WeakPolarHBondContact CD1-O 3.46Å; Y313-A473 WeakPolarHBondContact CE1-O 3.48Å; G423-A473 VanDerWaalsContact O-CB 3.27Å; G423-A473 WeakPolarHBondContact O-CB 3.21Å; S469-A473 WeakPolarHBondContact O-CB 3.4Å; S469-A473 PolarHBondContact O-N 3.09Å; F470-A473 PolarHBondContact O-N 3.11Å |
| 474 | F | 91.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -114 | 153.3 | -164.1 | -63.6 | -72.4 | 0 | 0 | 0 | 114.2 | Y313 R315 L428 L433 F470 L479 | Y313-F474 HydrophobicContact CE1-CD1 4.49Å; R315-F474 WeakPolarHBondContact CD-O 3.13Å; R315-F474 PolarHBondContact NE-O 3.33Å; R315-F474 PolarHBondContact NH1-O 2.91Å; L428-F474 HydrophobicContact CB-CE1 4.38Å; L428-F474 HydrophobicContact CB-CE2 4.37Å; L428-F474 HydrophobicContact CB-CZ 3.61Å; L428-F474 VanDerWaalsContact O-CE1 3.27Å; L428-F474 WeakPolarHBondContact O-CE1 3.41Å; L433-F474 HydrophobicContact CD1-CD1 4.04Å; L433-F474 HydrophobicContact CD1-CE1 4.21Å; L433-F474 HydrophobicContact CD1-CG 4.28Å; L433-F474 HydrophobicContact CD2-CD1 4.26Å; L433-F474 HydrophobicContact CD2-CD2 3.75Å; L433-F474 HydrophobicContact CD2-CE1 3.98Å; L433-F474 HydrophobicContact CD2-CE2 3.44Å; L433-F474 VanDerWaalsContact CD2-CE2 3.44Å; L433-F474 HydrophobicContact CD2-CG 4.14Å; L433-F474 HydrophobicContact CD2-CZ 3.54Å; L433-F474 HydrophobicContact CG-CD1 4.33Å; L433-F474 HydrophobicContact CG-CE1 4.02Å; L433-F474 HydrophobicContact CG-CE2 4.37Å; L433-F474 HydrophobicContact CG-CZ 4.02Å; F470-F474 HydrophobicContact CB-CD2 4.04Å; F470-F474 HydrophobicContact CB-CE2 4.44Å; F470-F474 HydrophobicContact CD1-CD2 4.13Å; F470-F474 AromaticContact CD1-CE2 3.66Å; F470-F474 HydrophobicContact CD1-CE2 3.66Å; F470-F474 HydrophobicContact CE1-CE2 4.09Å; F470-F474 HydrophobicContact CG-CD2 4.19Å; F470-F474 HydrophobicContact CG-CE2 4.11Å; F470-F474 PolarHBondContact O-N 3.36Å; F474-L479 HydrophobicContact CB-CD1 3.7Å; F474-L479 HydrophobicContact CB-CG 3.82Å; F474-L479 HydrophobicContact CD2-CD1 4.29Å; F474-L479 HydrophobicContact CD2-CG 4.46Å; F474-L479 HydrophobicContact CG-CD1 4.42Å; F474-L479 HydrophobicContact CG-CG 4.4Å |
| 475 | D | 89 | Confident | 92.7 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | trans | -70.4 | 153 | 172.5 | -85.8 | -59 | 0 | 0 | 0 | 113.1 | Y313 R315 K477 D478 L479 | Y313-D475 VanDerWaalsContact OH-CB 3.23Å; Y313-D475 WeakPolarHBondContact OH-CB 3.4Å; Y313-D475 PolarHBondContact OH-N 3.2Å; Y313-D475 PolarHBondContact OH-OD2 3.45Å; Y313-D475 VanDerWaalsContact OH-OD2 3.11Å; R315-D475 VanDerWaalsContact CD-CA 3.44Å; R315-D475 VanDerWaalsContact CD-CG 3.44Å; R315-D475 VanDerWaalsContact CD-N 3.27Å; R315-D475 WeakPolarHBondContact CD-OD1 3.21Å; R315-D475 VanDerWaalsContact CZ-CA 3.44Å; R315-D475 IonicContact CZ-OD1 4Å; R315-D475 VanDerWaalsContact NE-CA 3.26Å; R315-D475 VanDerWaalsContact NE-CG 3.26Å; R315-D475 IonicContact NE-OD1 3.75Å; R315-D475 PolarHBondContact NE-OD1 3.22Å; R315-D475 IonicContact NH2-OD1 3.59Å; R315-D475 PolarHBondContact NH2-OD1 3.38Å; D475-K477 HydrophobicContact CB-CG 3.84Å; D475-K477 PolarHBondContact O-N 3.45Å; D475-D478 PolarHBondContact O-N 3.42Å; D475-L479 PolarHBondContact O-N 3.47Å; D475-L479 VanDerWaalsContact O-N 3.13Å | ||
| 476 | A | 90.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 21% | 0.207 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.8 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D478 L479 Q480 L517 I519 | A476-D478 VanDerWaalsContact C-N 3.25Å; A476-D478 PolarHBondContact O-N 3.45Å; A476-L479 PolarHBondContact O-N 2.88Å; A476-Q480 WeakPolarHBondContact O-CB 3.03Å; A476-Q480 PolarHBondContact O-N 2.94Å; A476-L517 HydrophobicContact CB-CB 4.36Å; A476-I519 HydrophobicContact CB-CG2 3.81Å |
| 477 | K | 91.5 | Very high | 92.7 | Very high | 154 Ų | 154 | 39.4 Ų | 39.4 | 67% | 0.67 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -57.2 | -34 | 177 | 67.5 | -178.9 | 178.9 | 178.1 | 0 | 113.9 | D475 | D475-K477 HydrophobicContact CB-CG 3.84Å; D475-K477 PolarHBondContact O-N 3.45Å |
| 478 | D | 91.7 | Very high | 92.7 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -85.6 | -29.9 | -175.8 | -62.7 | -36.5 | 0 | 0 | 0 | 111.9 | Y313 P430 L433 D475 A476 | Y313-D478 PolarHBondContact OH-OD2 3.49Å; P430-D478 HydrophobicContact CB-CB 4.35Å; P430-D478 HydrophobicContact CG-CB 4.36Å; L433-D478 HydrophobicContact CD1-CB 4.05Å; L433-D478 WeakPolarHBondContact CD1-O 3.36Å; D475-D478 PolarHBondContact O-N 3.42Å; A476-D478 VanDerWaalsContact C-N 3.25Å; A476-D478 PolarHBondContact O-N 3.45Å |
| 479 | L | 92.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -90.5 | -12.8 | 175.5 | -81.3 | 171.5 | 0 | 0 | 0 | 114 | L433 F470 F474 D475 A476 S481 F482 D483 L486 L517 I519 | L433-L479 HydrophobicContact CD1-CD2 4.28Å; L433-L479 HydrophobicContact CD2-CD2 3.8Å; F470-L479 HydrophobicContact CB-CD1 4.12Å; F474-L479 HydrophobicContact CB-CD1 3.7Å; F474-L479 HydrophobicContact CB-CG 3.82Å; F474-L479 HydrophobicContact CD2-CD1 4.29Å; F474-L479 HydrophobicContact CD2-CG 4.46Å; F474-L479 HydrophobicContact CG-CD1 4.42Å; F474-L479 HydrophobicContact CG-CG 4.4Å; D475-L479 PolarHBondContact O-N 3.47Å; D475-L479 VanDerWaalsContact O-N 3.13Å; A476-L479 PolarHBondContact O-N 2.88Å; L479-S481 PolarHBondContact O-N 2.93Å; L479-F482 PolarHBondContact O-N 3.28Å; L479-D483 PolarHBondContact O-N 2.96Å; L479-L486 HydrophobicContact CD2-CD1 4.24Å; L479-L517 HydrophobicContact CB-CD1 4.25Å; L479-L517 HydrophobicContact CD1-CD1 3.44Å; L479-L517 VanDerWaalsContact CD1-CD1 3.44Å; L479-L517 HydrophobicContact CG-CD1 4.5Å; L479-I519 HydrophobicContact CB-CD1 3.81Å |
| 480 | Q | 92.9 | Very high | 93.1 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -55.2 | -38.9 | -175.4 | -168.4 | 70.5 | 51 | 0 | 0 | 112.2 | A476 F482 D483 | A476-Q480 WeakPolarHBondContact O-CB 3.03Å; A476-Q480 PolarHBondContact O-N 2.94Å; Q480-F482 PolarHBondContact O-N 3.16Å; Q480-D483 PolarHBondContact NE2-OD2 3.16Å; Q480-D483 WeakPolarHBondContact O-CB 3.39Å; Q480-D483 PolarHBondContact O-N 3.23Å; Q480-D483 VanDerWaalsContact O-OD1 3.04Å |
| 481 | S | 93.4 | Very high | 93.3 | Very high | 97 Ų | 97 | 41.8 Ų | 41.8 | 68% | 0.678 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -64.5 | -11.5 | -179.9 | -53.3 | 0 | 0 | 0 | 0 | 114.4 | L479 | L479-S481 PolarHBondContact O-N 2.93Š|
| 482 | F | 95.2 | Very high | 93.7 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -120.8 | 8.8 | -177.2 | -51.7 | -75.9 | 0 | 0 | 0 | 112.5 | L433 P434 V437 L479 Q480 E485 L486 | L433-F482 HydrophobicContact CB-CE2 3.86Å; L433-F482 HydrophobicContact CB-CZ 4.38Å; P434-F482 HydrophobicContact CB-CE1 4.35Å; P434-F482 HydrophobicContact CB-CZ 4.1Å; P434-F482 HydrophobicContact CG-CZ 3.91Å; V437-F482 HydrophobicContact CB-CD1 4.06Å; V437-F482 HydrophobicContact CB-CG 4.31Å; V437-F482 HydrophobicContact CG1-CB 4.12Å; V437-F482 HydrophobicContact CG1-CD1 3.94Å; V437-F482 HydrophobicContact CG1-CG 4.23Å; V437-F482 HydrophobicContact CG2-CB 4.03Å; V437-F482 HydrophobicContact CG2-CD1 4.06Å; V437-F482 HydrophobicContact CG2-CD2 4.18Å; V437-F482 HydrophobicContact CG2-CG 3.81Å; L479-F482 PolarHBondContact O-N 3.28Å; Q480-F482 PolarHBondContact O-N 3.16Å; F482-E485 PolarHBondContact O-N 3.09Å; F482-L486 HydrophobicContact CB-CD1 4.18Å; F482-L486 HydrophobicContact CB-CG 4.44Å; F482-L486 WeakPolarHBondContact O-CB 3.42Å; F482-L486 WeakPolarHBondContact O-CG 3.44Å; F482-L486 PolarHBondContact O-N 3.28Å |
| 483 | D | 93.9 | Very high | 94.3 | Very high | 37 Ų | 37 | 36.7 Ų | 36.7 | 20% | 0.198 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.7 | -56.2 | -172 | 59.2 | -8.2 | 0 | 0 | 0 | 112.7 | L479 Q480 E485 L486 A487 I519 F520 | L479-D483 PolarHBondContact O-N 2.96Å; Q480-D483 PolarHBondContact NE2-OD2 3.16Å; Q480-D483 WeakPolarHBondContact O-CB 3.39Å; Q480-D483 PolarHBondContact O-N 3.23Å; Q480-D483 VanDerWaalsContact O-OD1 3.04Å; D483-E485 PolarHBondContact O-N 3.16Å; D483-L486 PolarHBondContact O-N 2.87Å; D483-A487 WeakPolarHBondContact O-CB 3.49Å; D483-A487 PolarHBondContact O-N 3.48Å; D483-I519 HydrophobicContact CB-CB 4.16Å; D483-I519 HydrophobicContact CB-CD1 4.17Å; D483-I519 HydrophobicContact CB-CG1 4.21Å; D483-F520 WeakPolarHBondContact O-CD1 3.44Å; D483-F520 VanDerWaalsContact O-CE1 3.23Å; D483-F520 WeakPolarHBondContact O-CE1 3.35Å |
| 484 | L | 96 | Very high | 94.9 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.6 | -35.6 | -174.6 | -174.4 | 59.6 | 0 | 0 | 0 | 111.6 | R488 P521 E554 | L484-R488 HydrophobicContact CD1-CG 4.22Å; L484-R488 VanDerWaalsContact O-CB 3.32Å; L484-R488 WeakPolarHBondContact O-CB 3.26Å; L484-R488 WeakPolarHBondContact O-CD 3.22Å; L484-R488 WeakPolarHBondContact O-CG 3.19Å; L484-R488 PolarHBondContact O-N 3.35Å; L484-P521 HydrophobicContact CD1-CG 4.45Å; L484-E554 HydrophobicContact CD1-CB 4.03Å |
| 485 | E | 94.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 36.7 Ų | 36.7 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 176 | -82 | -170.3 | -154.6 | 0 | 0 | 112.4 | Q441 F482 D483 S489 | Q441-E485 PolarHBondContact NE2-OE2 2.8Å; F482-E485 PolarHBondContact O-N 3.09Å; D483-E485 PolarHBondContact O-N 3.16Å; E485-S489 WeakPolarHBondContact O-CB 3.29Å; E485-S489 PolarHBondContact O-N 3.28Å; E485-S489 PolarHBondContact O-OG 2.69Å |
| 486 | L | 96.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.4 | -43.5 | 176 | -73.1 | 172.4 | 0 | 0 | 0 | 111.2 | V437 L479 F482 D483 S489 L490 F520 | V437-L486 HydrophobicContact CG1-CD2 4.12Å; V437-L486 HydrophobicContact CG1-CG 4.26Å; V437-L486 HydrophobicContact CG2-CD1 4.4Å; L479-L486 HydrophobicContact CD2-CD1 4.24Å; F482-L486 HydrophobicContact CB-CD1 4.18Å; F482-L486 HydrophobicContact CB-CG 4.44Å; F482-L486 WeakPolarHBondContact O-CB 3.42Å; F482-L486 WeakPolarHBondContact O-CG 3.44Å; F482-L486 PolarHBondContact O-N 3.28Å; D483-L486 PolarHBondContact O-N 2.87Å; L486-S489 PolarHBondContact O-N 3.26Å; L486-L490 WeakPolarHBondContact O-CB 3.18Å; L486-L490 WeakPolarHBondContact O-CG 3.15Å; L486-L490 PolarHBondContact O-N 3.22Å; L486-F520 HydrophobicContact CB-CE1 3.92Å; L486-F520 HydrophobicContact CB-CZ 3.84Å |
| 487 | A | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.4 | -51.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D483 S489 L490 V491 F510 F520 Y555 | D483-A487 WeakPolarHBondContact O-CB 3.49Å; D483-A487 PolarHBondContact O-N 3.48Å; A487-S489 PolarHBondContact O-N 3.45Å; A487-L490 PolarHBondContact O-N 2.59Å; A487-V491 WeakPolarHBondContact O-CB 3.19Å; A487-V491 VanDerWaalsContact O-CG2 3.25Å; A487-V491 WeakPolarHBondContact O-CG2 3.35Å; A487-V491 PolarHBondContact O-N 2.57Å; A487-F510 HydrophobicContact CB-CE2 4.28Å; A487-F520 HydrophobicContact CB-CB 4.23Å; A487-F520 HydrophobicContact CB-CD1 3.69Å; A487-F520 HydrophobicContact CB-CD2 4.15Å; A487-F520 HydrophobicContact CB-CE1 3.96Å; A487-F520 HydrophobicContact CB-CE2 4.38Å; A487-F520 HydrophobicContact CB-CG 3.78Å; A487-F520 HydrophobicContact CB-CZ 4.28Å; A487-Y555 HydrophobicContact CB-CE1 3.92Å |
| 488 | R | 98 | Very high | 95.9 | Very high | 88 Ų | 88 | 30.6 Ų | 30.6 | 33% | 0.332 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 178.7 | -73.3 | 170.6 | 169.6 | 162.6 | -0.2 | 112.3 | L484 V491 C492 E554 Y555 | L484-R488 HydrophobicContact CD1-CG 4.22Å; L484-R488 VanDerWaalsContact O-CB 3.32Å; L484-R488 WeakPolarHBondContact O-CB 3.26Å; L484-R488 WeakPolarHBondContact O-CD 3.22Å; L484-R488 WeakPolarHBondContact O-CG 3.19Å; L484-R488 PolarHBondContact O-N 3.35Å; R488-V491 PolarHBondContact O-N 2.87Å; R488-C492 WeakPolarHBondContact O-CB 3.39Å; R488-C492 PolarHBondContact O-N 2.99Å; R488-C492 PolarHBondContact O-SG 2.96Å; R488-E554 VanDerWaalsContact CZ-O 3.24Å; R488-E554 PolarHBondContact NE-O 2.76Å; R488-E554 PolarHBondContact NH2-O 3.23Å; R488-Y555 HydrophobicContact CG-CD1 4.19Å |
| 489 | S | 97.6 | Very high | 96 | Very high | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.3 | -46.5 | -179.6 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | E485 L486 A487 C492 V493 | E485-S489 WeakPolarHBondContact O-CB 3.29Å; E485-S489 PolarHBondContact O-N 3.28Å; E485-S489 PolarHBondContact O-OG 2.69Å; L486-S489 PolarHBondContact O-N 3.26Å; A487-S489 PolarHBondContact O-N 3.45Å; S489-C492 PolarHBondContact O-N 2.89Å; S489-V493 WeakPolarHBondContact O-CG2 3.47Å; S489-V493 PolarHBondContact O-N 3.27Å; S489-V493 VanDerWaalsContact O-N 3.1Å |
| 490 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 178 | -73.6 | 171.2 | 0 | 0 | 0 | 111.8 | L444 C467 L486 A487 C492 V493 I494 A506 A509 F510 I513 F520 | L444-L490 HydrophobicContact CD1-CD2 4.29Å; L444-L490 HydrophobicContact CD2-CD2 4.19Å; C467-L490 HydrophobicContact CB-CD1 4.39Å; C467-L490 HydrophobicContact CB-CD2 4.26Å; L486-L490 WeakPolarHBondContact O-CB 3.18Å; L486-L490 WeakPolarHBondContact O-CG 3.15Å; L486-L490 PolarHBondContact O-N 3.22Å; A487-L490 PolarHBondContact O-N 2.59Å; L490-C492 PolarHBondContact O-N 2.9Å; L490-V493 PolarHBondContact O-N 3.14Å; L490-I494 VanDerWaalsContact O-CG1 3.22Å; L490-I494 WeakPolarHBondContact O-CG1 3.28Å; L490-I494 PolarHBondContact O-N 3.32Å; L490-A506 HydrophobicContact CD2-CB 4.22Å; L490-A509 HydrophobicContact CD2-CB 4.15Å; L490-F510 HydrophobicContact CB-CD2 4.06Å; L490-F510 HydrophobicContact CD1-CB 4.43Å; L490-F510 HydrophobicContact CD1-CD2 4.47Å; L490-I513 HydrophobicContact CD1-CD1 3.93Å; L490-F520 HydrophobicContact CD1-CE2 3.91Å; L490-F520 HydrophobicContact CD1-CZ 4.02Å |
| 491 | V | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 176.3 | 164.5 | 0 | 0 | 0 | 0 | 111.5 | A487 R488 V493 I494 L495 F510 I526 V549 Y555 L559 | A487-V491 WeakPolarHBondContact O-CB 3.19Å; A487-V491 VanDerWaalsContact O-CG2 3.25Å; A487-V491 WeakPolarHBondContact O-CG2 3.35Å; A487-V491 PolarHBondContact O-N 2.57Å; R488-V491 PolarHBondContact O-N 2.87Å; V491-V493 VanDerWaalsContact C-N 3.33Å; V491-V493 PolarHBondContact O-N 3.32Å; V491-I494 WeakPolarHBondContact O-CB 3.42Å; V491-I494 PolarHBondContact O-N 3.47Å; V491-L495 HydrophobicContact CG1-CD1 3.94Å; V491-L495 WeakPolarHBondContact O-CG 3.49Å; V491-L495 PolarHBondContact O-N 3.08Å; V491-F510 HydrophobicContact CG2-CD2 4.12Å; V491-F510 HydrophobicContact CG2-CE2 3.58Å; V491-F510 HydrophobicContact CG2-CZ 4.13Å; V491-I526 HydrophobicContact CG2-CG2 4.35Å; V491-V549 HydrophobicContact CG1-CG1 3.72Å; V491-Y555 HydrophobicContact CB-CD1 4.22Å; V491-Y555 HydrophobicContact CB-CE1 4.39Å; V491-Y555 HydrophobicContact CG1-CD1 4.18Å; V491-Y555 HydrophobicContact CG2-CD1 4.05Å; V491-Y555 HydrophobicContact CG2-CE1 3.79Å; V491-L559 HydrophobicContact CG1-CD2 3.93Å |
| 492 | C | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.4 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | Y445 R488 S489 L490 L495 F496 D562 | Y445-C492 WeakPolarHBondContact OH-CB 3.45Å; R488-C492 WeakPolarHBondContact O-CB 3.39Å; R488-C492 PolarHBondContact O-N 2.99Å; R488-C492 PolarHBondContact O-SG 2.96Å; S489-C492 PolarHBondContact O-N 2.89Å; L490-C492 PolarHBondContact O-N 2.9Å; C492-L495 PolarHBondContact O-N 2.98Å; C492-F496 HydrophobicContact CB-CD2 4.29Å; C492-F496 WeakPolarHBondContact O-CA 3.36Å; C492-F496 WeakPolarHBondContact O-CB 3.5Å; C492-F496 PolarHBondContact O-N 3.29Å; C492-D562 HydrophobicContact CB-CB 4.29Å |
| 493 | V | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 174.1 | 178 | 0 | 0 | 0 | 0 | 111.4 | L444 S489 L490 V491 L495 D497 R503 A506 | L444-V493 HydrophobicContact CB-CG2 4.04Å; L444-V493 HydrophobicContact CD2-CG2 4.23Å; S489-V493 WeakPolarHBondContact O-CG2 3.47Å; S489-V493 PolarHBondContact O-N 3.27Å; S489-V493 VanDerWaalsContact O-N 3.1Å; L490-V493 PolarHBondContact O-N 3.14Å; V491-V493 VanDerWaalsContact C-N 3.33Å; V491-V493 PolarHBondContact O-N 3.32Å; V493-L495 VanDerWaalsContact C-N 3.27Å; V493-L495 PolarHBondContact O-N 3.3Å; V493-D497 HydrophobicContact CG1-CB 4Å; V493-D497 VanDerWaalsContact O-CB 3.28Å; V493-D497 WeakPolarHBondContact O-CB 3.22Å; V493-D497 PolarHBondContact O-N 2.63Å; V493-D497 VanDerWaalsContact O-N 3.16Å; V493-R503 WeakPolarHBondContact O-CG 3.18Å; V493-A506 HydrophobicContact CB-CB 3.85Å; V493-A506 HydrophobicContact CG1-CB 3.55Å |
| 494 | I | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.5 | -42.2 | 175.9 | -73.4 | 166 | 0 | 0 | 0 | 111.4 | L490 V491 R503 A506 F510 A530 V535 | L490-I494 VanDerWaalsContact O-CG1 3.22Å; L490-I494 WeakPolarHBondContact O-CG1 3.28Å; L490-I494 PolarHBondContact O-N 3.32Å; V491-I494 WeakPolarHBondContact O-CB 3.42Å; V491-I494 PolarHBondContact O-N 3.47Å; I494-R503 WeakPolarHBondContact O-CD 3.18Å; I494-R503 WeakPolarHBondContact O-CG 3.48Å; I494-A506 HydrophobicContact CG1-CB 3.63Å; I494-F510 HydrophobicContact CD1-CB 3.83Å; I494-F510 HydrophobicContact CD1-CD2 4.4Å; I494-F510 HydrophobicContact CD1-CG 4.1Å; I494-A530 HydrophobicContact CG2-CB 3.94Å; I494-V535 HydrophobicContact CG2-CG1 3.6Å |
| 495 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -88.5 | -39.4 | -173.5 | -63.1 | 175 | 0 | 0 | 0 | 112.7 | V491 C492 V493 C541 Y542 I545 L546 V549 L559 | V491-L495 HydrophobicContact CG1-CD1 3.94Å; V491-L495 WeakPolarHBondContact O-CG 3.49Å; V491-L495 PolarHBondContact O-N 3.08Å; C492-L495 PolarHBondContact O-N 2.98Å; V493-L495 VanDerWaalsContact C-N 3.27Å; V493-L495 PolarHBondContact O-N 3.3Å; L495-C541 HydrophobicContact CD2-CB 4.38Å; L495-C541 WeakPolarHBondContact O-CB 3.39Å; L495-Y542 WeakPolarHBondContact O-CD2 3.27Å; L495-Y542 WeakPolarHBondContact O-CE2 3.45Å; L495-I545 HydrophobicContact CD2-CB 3.82Å; L495-I545 HydrophobicContact CD2-CG2 3.51Å; L495-L546 HydrophobicContact CD1-CD1 4.14Å; L495-V549 HydrophobicContact CD1-CB 4.44Å; L495-V549 HydrophobicContact CD1-CG2 4.44Å; L495-L559 HydrophobicContact CD1-CD2 3.58Å |
| 496 | F | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -119 | -4.2 | -161.6 | -51.3 | -48.1 | 0 | 0 | 0 | 115.2 | C492 R498 Y542 L546 L559 D562 L563 R567 | C492-F496 HydrophobicContact CB-CD2 4.29Å; C492-F496 WeakPolarHBondContact O-CA 3.36Å; C492-F496 WeakPolarHBondContact O-CB 3.5Å; C492-F496 PolarHBondContact O-N 3.29Å; F496-R498 PolarHBondContact O-N 3.02Å; F496-Y542 HydrophobicContact CB-CE2 4.4Å; F496-Y542 AromaticContact CD1-CD1 3.89Å; F496-Y542 HydrophobicContact CD1-CD1 3.89Å; F496-Y542 HydrophobicContact CD1-CD2 4.16Å; F496-Y542 AromaticContact CD1-CE1 3.58Å; F496-Y542 HydrophobicContact CD1-CE1 3.58Å; F496-Y542 AromaticContact CD1-CE2 3.88Å; F496-Y542 HydrophobicContact CD1-CE2 3.88Å; F496-Y542 HydrophobicContact CD1-CG 4.19Å; F496-Y542 AromaticContact CD1-CZ 3.59Å; F496-Y542 HydrophobicContact CE1-CD1 4.06Å; F496-Y542 HydrophobicContact CE1-CE1 4.12Å; F496-Y542 HydrophobicContact CE1-CG 4.42Å; F496-Y542 HydrophobicContact CG-CE1 4.46Å; F496-Y542 PolarHBondContact O-OH 2.81Å; F496-Y542 VanDerWaalsContact O-OH 3.12Å; F496-L546 HydrophobicContact CE1-CD1 3.85Å; F496-L546 HydrophobicContact CE1-CD2 4.49Å; F496-L546 HydrophobicContact CZ-CD1 3.46Å; F496-L546 VanDerWaalsContact CZ-CD1 3.46Å; F496-L559 HydrophobicContact CE2-CB 4.29Å; F496-L559 HydrophobicContact CE2-CD2 3.8Å; F496-L559 HydrophobicContact CZ-CB 4.35Å; F496-L559 HydrophobicContact CZ-CD2 4.11Å; F496-D562 HydrophobicContact CD2-CB 4.26Å; F496-D562 WeakPolarHBondContact CD2-OD2 3.31Å; F496-D562 HydrophobicContact CE2-CB 4.35Å; F496-L563 HydrophobicContact CD1-CD2 4.13Å; F496-L563 HydrophobicContact CE1-CD1 4.43Å; F496-L563 HydrophobicContact CE1-CD2 3.74Å; F496-L563 HydrophobicContact CE1-CG 4.16Å; F496-L563 HydrophobicContact CE2-CD2 4.4Å; F496-L563 HydrophobicContact CE2-CG 4.09Å; F496-L563 HydrophobicContact CZ-CD1 3.95Å; F496-L563 HydrophobicContact CZ-CD2 3.86Å; F496-L563 HydrophobicContact CZ-CG 3.73Å; F496-R567 HydrophobicContact CB-CG 4.35Å; F496-R567 VanDerWaalsContact CB-NE 3.34Å |
| 497 | D | 95.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.027 | 12% | 0.117 | C | C | . | . | trans | -65 | 133.9 | 173.4 | -158.4 | -52.4 | 0 | 0 | 0 | 110.1 | R460 V493 E499 C502 R503 | R460-D497 WeakPolarHBondContact CD-OD2 3.49Å; R460-D497 IonicContact CZ-OD1 2.69Å; R460-D497 IonicContact CZ-OD2 3.58Å; R460-D497 IonicContact NE-OD1 3.53Å; R460-D497 IonicContact NE-OD2 3.86Å; R460-D497 PolarHBondContact NE-OD2 2.97Å; R460-D497 IonicContact NH2-OD1 3.84Å; R460-D497 PolarHBondContact NH2-OD1 3.27Å; R460-D497 IonicContact NH2-OD2 3.17Å; R460-D497 PolarHBondContact NH2-OD2 3Å; V493-D497 HydrophobicContact CG1-CB 4Å; V493-D497 VanDerWaalsContact O-CB 3.28Å; V493-D497 WeakPolarHBondContact O-CB 3.22Å; V493-D497 PolarHBondContact O-N 2.63Å; V493-D497 VanDerWaalsContact O-N 3.16Å; D497-E499 VanDerWaalsContact C-N 3.28Å; D497-E499 PolarHBondContact O-N 2.93Å; D497-E499 PolarHBondContact OD1-N 2.98Å; D497-C502 HydrophobicContact CB-CB 4.01Å; D497-C502 WeakPolarHBondContact OD2-CB 3.4Å; D497-R503 HydrophobicContact CB-CG 3.89Å; D497-R503 WeakPolarHBondContact O-CD 3.42Å; D497-R503 WeakPolarHBondContact O-CG 3.35Å; D497-R503 PolarHBondContact O-NH1 3.12Å | ||
| 498 | R | 92.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 26.5 Ų | 26.5 | 35% | 0.347 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -57.9 | -42.9 | 175.8 | 177.2 | 177.2 | 149.4 | 126.9 | -10.5 | 111.5 | F496 R503 D572 I575 | F496-R498 PolarHBondContact O-N 3.02Å; R498-R503 PolarHBondContact O-NH1 3.18Å; R498-D572 IonicContact CZ-OD2 2.89Å; R498-D572 IonicContact NH1-OD2 3.29Å; R498-D572 PolarHBondContact NH1-OD2 3.07Å; R498-I575 HydrophobicContact CB-CD1 3.63Å; R498-I575 HydrophobicContact CG-CD1 3.76Å |
| 499 | E | 93.2 | Very high | 96.7 | Very high | 68 Ų | 68 | 22.3 Ų | 22.3 | 32% | 0.318 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -89.2 | 126.3 | -170.4 | -61.2 | -56.4 | 143.2 | 0 | 0 | 111.4 | A457 D497 N501 C502 R503 | A457-E499 HydrophobicContact CB-CB 4.33Å; A457-E499 HydrophobicContact CB-CG 3.75Å; D497-E499 VanDerWaalsContact C-N 3.28Å; D497-E499 PolarHBondContact O-N 2.93Å; D497-E499 PolarHBondContact OD1-N 2.98Å; E499-N501 VanDerWaalsContact C-N 3.25Å; E499-N501 PolarHBondContact O-N 2.62Å; E499-C502 HydrophobicContact CB-CB 4.41Å; E499-C502 PolarHBondContact O-N 2.92Å; E499-C502 VanDerWaalsContact O-N 3.1Å; E499-R503 PolarHBondContact O-N 3.22Å |
| 500 | V | 95 | Very high | 96.7 | Very high | 49 Ų | 49 | 21.9 Ų | 21.9 | 30% | 0.297 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -60.3 | -34.6 | -175.6 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | C502 R503 R504 A536 | V500-C502 VanDerWaalsContact C-N 3.35Å; V500-R503 PolarHBondContact O-N 2.93Å; V500-R504 WeakPolarHBondContact O-CB 3.39Å; V500-R504 WeakPolarHBondContact O-CG 3.43Å; V500-R504 PolarHBondContact O-N 3.26Å; V500-A536 HydrophobicContact CG2-CB 4.23Å |
| 501 | N | 94.4 | Very high | 96.5 | Very high | 104 Ų | 104 | 26.3 Ų | 26.3 | 56% | 0.556 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -65.8 | -39.3 | 178.4 | -67.3 | -26 | 0 | 0 | 0 | 111.3 | E499 R504 A505 | E499-N501 VanDerWaalsContact C-N 3.25Å; E499-N501 PolarHBondContact O-N 2.62Å; N501-R504 PolarHBondContact O-N 3.14Å; N501-A505 VanDerWaalsContact O-CB 3.26Å; N501-A505 WeakPolarHBondContact O-CB 3.5Å; N501-A505 PolarHBondContact O-N 2.8Å |
| 502 | C | 96.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 177.1 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | A457 D497 E499 V500 R504 A505 A506 | A457-C502 PolarHBondContact O-SG 3.08Å; D497-C502 HydrophobicContact CB-CB 4.01Å; D497-C502 WeakPolarHBondContact OD2-CB 3.4Å; E499-C502 HydrophobicContact CB-CB 4.41Å; E499-C502 PolarHBondContact O-N 2.92Å; E499-C502 VanDerWaalsContact O-N 3.1Å; V500-C502 VanDerWaalsContact C-N 3.35Å; C502-R504 PolarHBondContact O-N 3.48Å; C502-A505 PolarHBondContact O-N 3.29Å; C502-A506 WeakPolarHBondContact O-CB 3.43Å; C502-A506 PolarHBondContact O-N 3.19Å |
| 503 | R | 97.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 28 Ų | 28 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 174.2 | -62.5 | -162.6 | -62.5 | -84.1 | 0.1 | 111.8 | V493 I494 D497 R498 E499 V500 A506 S507 V535 A536 | V493-R503 WeakPolarHBondContact O-CG 3.18Å; I494-R503 WeakPolarHBondContact O-CD 3.18Å; I494-R503 WeakPolarHBondContact O-CG 3.48Å; D497-R503 HydrophobicContact CB-CG 3.89Å; D497-R503 WeakPolarHBondContact O-CD 3.42Å; D497-R503 WeakPolarHBondContact O-CG 3.35Å; D497-R503 PolarHBondContact O-NH1 3.12Å; R498-R503 PolarHBondContact O-NH1 3.18Å; E499-R503 PolarHBondContact O-N 3.22Å; V500-R503 PolarHBondContact O-N 2.93Å; R503-A506 PolarHBondContact O-N 3.4Å; R503-S507 WeakPolarHBondContact O-CB 3.42Å; R503-S507 PolarHBondContact O-N 3.25Å; R503-V535 HydrophobicContact CB-CB 4.35Å; R503-V535 HydrophobicContact CB-CG2 4.36Å; R503-V535 PolarHBondContact NE-O 2.64Å; R503-V535 PolarHBondContact NH2-O 3.29Å; R503-A536 PolarHBondContact NH2-O 3.41Å |
| 504 | R | 96.5 | Very high | 96.1 | Very high | 58 Ų | 58 | 28.4 Ų | 28.4 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 176.9 | -78.4 | 174.5 | 162.6 | 175.9 | 3.6 | 112.9 | V500 N501 C502 A506 S507 A508 Y532 V535 | V500-R504 WeakPolarHBondContact O-CB 3.39Å; V500-R504 WeakPolarHBondContact O-CG 3.43Å; V500-R504 PolarHBondContact O-N 3.26Å; N501-R504 PolarHBondContact O-N 3.14Å; C502-R504 PolarHBondContact O-N 3.48Å; R504-A506 VanDerWaalsContact C-N 3.34Å; R504-S507 PolarHBondContact O-N 3.12Å; R504-A508 WeakPolarHBondContact O-CB 3.07Å; R504-A508 PolarHBondContact O-N 3.35Å; R504-Y532 HydrophobicContact CB-CD2 3.82Å; R504-Y532 HydrophobicContact CB-CE2 3.66Å; R504-Y532 VanDerWaalsContact CD-CE2 3.45Å; R504-Y532 VanDerWaalsContact CD-CZ 3.48Å; R504-Y532 HydrophobicContact CG-CD2 3.74Å; R504-Y532 HydrophobicContact CG-CE2 3.68Å; R504-Y532 HydrophobicContact CG-CG 4.32Å; R504-Y532 PolarHBondContact NE-O 3.23Å; R504-Y532 VanDerWaalsContact NE-O 3.13Å; R504-Y532 PolarHBondContact NH1-OH 2.84Å; R504-V535 HydrophobicContact CG-CG2 3.89Å |
| 505 | A | 97.1 | Very high | 95.7 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D461 C464 N501 C502 A508 A509 | D461-A505 VanDerWaalsContact OD1-CB 3.32Å; D461-A505 WeakPolarHBondContact OD1-CB 3.16Å; C464-A505 HydrophobicContact CB-CB 3.71Å; N501-A505 VanDerWaalsContact O-CB 3.26Å; N501-A505 WeakPolarHBondContact O-CB 3.5Å; N501-A505 PolarHBondContact O-N 2.8Å; C502-A505 PolarHBondContact O-N 3.29Å; A505-A508 PolarHBondContact O-N 2.95Å; A505-A509 WeakPolarHBondContact O-CB 3.3Å; A505-A509 PolarHBondContact O-N 2.99Å |
| 506 | A | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L490 V493 I494 C502 R503 R504 A509 F510 | L490-A506 HydrophobicContact CD2-CB 4.22Å; V493-A506 HydrophobicContact CB-CB 3.85Å; V493-A506 HydrophobicContact CG1-CB 3.55Å; I494-A506 HydrophobicContact CG1-CB 3.63Å; C502-A506 WeakPolarHBondContact O-CB 3.43Å; C502-A506 PolarHBondContact O-N 3.19Å; R503-A506 PolarHBondContact O-N 3.4Å; R504-A506 VanDerWaalsContact C-N 3.34Å; A506-A509 PolarHBondContact O-N 3.42Å; A506-F510 VanDerWaalsContact O-CB 3.29Å; A506-F510 WeakPolarHBondContact O-CB 3.36Å; A506-F510 PolarHBondContact O-N 3.44Å |
| 507 | S | 97.6 | Very high | 95 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | R503 R504 A509 F510 Q511 A530 | R503-S507 WeakPolarHBondContact O-CB 3.42Å; R503-S507 PolarHBondContact O-N 3.25Å; R504-S507 PolarHBondContact O-N 3.12Å; S507-A509 PolarHBondContact O-N 3.03Å; S507-F510 PolarHBondContact O-N 2.94Å; S507-Q511 WeakPolarHBondContact O-CB 3.31Å; S507-Q511 PolarHBondContact O-N 3.28Å; S507-A530 PolarHBondContact OG-O 2.8Å |
| 508 | A | 96.2 | Very high | 94.8 | Very high | 38 Ų | 38 | 40 Ų | 40 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R504 A505 E512 | R504-A508 WeakPolarHBondContact O-CB 3.07Å; R504-A508 PolarHBondContact O-N 3.35Å; A505-A508 PolarHBondContact O-N 2.95Å; A508-E512 WeakPolarHBondContact O-CB 3.22Å; A508-E512 PolarHBondContact O-N 3.32Å |
| 509 | A | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C464 C467 W468 L490 A505 A506 S507 E512 I513 | C464-A509 WeakPolarHBondContact O-CB 3.44Å; C467-A509 HydrophobicContact CB-CB 4.18Å; W468-A509 HydrophobicContact CB-CB 3.99Å; L490-A509 HydrophobicContact CD2-CB 4.15Å; A505-A509 WeakPolarHBondContact O-CB 3.3Å; A505-A509 PolarHBondContact O-N 2.99Å; A506-A509 PolarHBondContact O-N 3.42Å; S507-A509 PolarHBondContact O-N 3.03Å; A509-E512 PolarHBondContact O-N 2.87Å; A509-I513 WeakPolarHBondContact O-CG1 3.32Å; A509-I513 PolarHBondContact O-N 3.45Å; A509-I513 VanDerWaalsContact O-N 3.08Å |
| 510 | F | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 176.6 | -171.4 | -85.6 | 0 | 0 | 0 | 111.2 | A487 L490 V491 I494 A506 S507 E512 I513 V514 F520 I526 F527 | A487-F510 HydrophobicContact CB-CE2 4.28Å; L490-F510 HydrophobicContact CB-CD2 4.06Å; L490-F510 HydrophobicContact CD1-CB 4.43Å; L490-F510 HydrophobicContact CD1-CD2 4.47Å; V491-F510 HydrophobicContact CG2-CD2 4.12Å; V491-F510 HydrophobicContact CG2-CE2 3.58Å; V491-F510 HydrophobicContact CG2-CZ 4.13Å; I494-F510 HydrophobicContact CD1-CB 3.83Å; I494-F510 HydrophobicContact CD1-CD2 4.4Å; I494-F510 HydrophobicContact CD1-CG 4.1Å; A506-F510 VanDerWaalsContact O-CB 3.29Å; A506-F510 WeakPolarHBondContact O-CB 3.36Å; A506-F510 PolarHBondContact O-N 3.44Å; S507-F510 PolarHBondContact O-N 2.94Å; F510-E512 PolarHBondContact O-N 3.21Å; F510-I513 PolarHBondContact O-N 3.35Å; F510-V514 HydrophobicContact CD1-CG2 3.87Å; F510-V514 HydrophobicContact CE1-CG2 3.65Å; F510-V514 HydrophobicContact CZ-CG2 4.25Å; F510-V514 WeakPolarHBondContact O-CG2 3.4Å; F510-V514 PolarHBondContact O-N 3.01Å; F510-F520 HydrophobicContact CD1-CD2 4.43Å; F510-F520 AromaticContact CD2-CD2 3.45Å; F510-F520 HydrophobicContact CD2-CD2 3.45Å; F510-F520 VanDerWaalsContact CD2-CD2 3.45Å; F510-F520 AromaticContact CD2-CE2 3.5Å; F510-F520 HydrophobicContact CD2-CE2 3.5Å; F510-F520 VanDerWaalsContact CD2-CE2 3.5Å; F510-F520 HydrophobicContact CE1-CD2 4.33Å; F510-F520 HydrophobicContact CE2-CB 4.35Å; F510-F520 AromaticContact CE2-CD2 3.3Å; F510-F520 HydrophobicContact CE2-CD2 3.3Å; F510-F520 AromaticContact CE2-CE2 3.8Å; F510-F520 HydrophobicContact CE2-CE2 3.8Å; F510-F520 HydrophobicContact CE2-CG 4.14Å; F510-F520 HydrophobicContact CG-CD2 4.03Å; F510-F520 HydrophobicContact CG-CE2 4.12Å; F510-F520 HydrophobicContact CZ-CB 4.21Å; F510-F520 AromaticContact CZ-CD2 3.79Å; F510-F520 HydrophobicContact CZ-CD2 3.79Å; F510-F520 HydrophobicContact CZ-CG 4.45Å; F510-I526 HydrophobicContact CE1-CB 4.08Å; F510-I526 HydrophobicContact CE1-CG2 3.9Å; F510-I526 HydrophobicContact CZ-CB 4.21Å; F510-I526 HydrophobicContact CZ-CD1 4.46Å; F510-I526 HydrophobicContact CZ-CG2 3.99Å; F510-F527 HydrophobicContact CD1-CB 3.99Å; F510-F527 HydrophobicContact CE1-CB 4.25Å |
| 511 | Q | 95.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 32.7 Ų | 32.7 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60 | -43.1 | 176.7 | -174.4 | -177.1 | 6.4 | 0 | 0 | 112.2 | S507 I513 V514 G515 F527 | S507-Q511 WeakPolarHBondContact O-CB 3.31Å; S507-Q511 PolarHBondContact O-N 3.28Å; Q511-I513 VanDerWaalsContact C-N 3.34Å; Q511-I513 PolarHBondContact O-N 3.4Å; Q511-V514 PolarHBondContact O-N 3.27Å; Q511-G515 PolarHBondContact O-N 3.05Å; Q511-F527 HydrophobicContact CB-CB 4.4Å; Q511-F527 HydrophobicContact CB-CD2 4.47Å; Q511-F527 HydrophobicContact CB-CG 4.38Å; Q511-F527 HydrophobicContact CG-CD2 3.86Å; Q511-F527 HydrophobicContact CG-CE2 4.16Å; Q511-F527 HydrophobicContact CG-CG 4.13Å |
| 512 | E | 94.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 30.9 Ų | 30.9 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 178.2 | -170.7 | 83.8 | 178 | 0 | 0 | 111.4 | W468 A471 R472 A508 A509 F510 R516 | W468-E512 VanDerWaalsContact CD1-CB 3.44Å; W468-E512 HydrophobicContact CG-CB 4.35Å; W468-E512 HydrophobicContact CG-CG 4.33Å; W468-E512 PolarHBondContact NE1-OE2 2.98Å; A471-E512 HydrophobicContact CB-CB 4.15Å; A471-E512 HydrophobicContact CB-CG 3.61Å; R472-E512 HydrophobicContact CG-CG 4.41Å; R472-E512 IonicContact CZ-OE1 3.66Å; R472-E512 IonicContact NH1-OE1 3.75Å; R472-E512 PolarHBondContact NH1-OE1 2.84Å; A508-E512 WeakPolarHBondContact O-CB 3.22Å; A508-E512 PolarHBondContact O-N 3.32Å; A509-E512 PolarHBondContact O-N 2.87Å; F510-E512 PolarHBondContact O-N 3.21Å; E512-R516 WeakPolarHBondContact O-CB 3.42Å; E512-R516 WeakPolarHBondContact O-CG 3.15Å; E512-R516 PolarHBondContact O-N 3.11Å; E512-R516 VanDerWaalsContact O-N 3.13Å; E512-R516 IonicContact OE1-CZ 2.76Å; E512-R516 VanDerWaalsContact OE1-CZ 3.29Å; E512-R516 IonicContact OE1-NE 2.73Å; E512-R516 PolarHBondContact OE1-NE 3.49Å; E512-R516 IonicContact OE1-NH2 3.23Å; E512-R516 PolarHBondContact OE1-NH2 3.22Å |
| 513 | I | 94.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.9 | -48 | 176.3 | -68.3 | 169.7 | 0 | 0 | 0 | 110.9 | A471 L490 A509 F510 Q511 G515 R516 L517 G518 I519 F520 | A471-I513 HydrophobicContact CB-CB 4.38Å; A471-I513 HydrophobicContact CB-CG1 3.63Å; L490-I513 HydrophobicContact CD1-CD1 3.93Å; A509-I513 WeakPolarHBondContact O-CG1 3.32Å; A509-I513 PolarHBondContact O-N 3.45Å; A509-I513 VanDerWaalsContact O-N 3.08Å; F510-I513 PolarHBondContact O-N 3.35Å; Q511-I513 VanDerWaalsContact C-N 3.34Å; Q511-I513 PolarHBondContact O-N 3.4Å; I513-G515 PolarHBondContact O-N 3.35Å; I513-R516 PolarHBondContact O-N 3.17Å; I513-L517 HydrophobicContact CG2-CB 4.39Å; I513-L517 HydrophobicContact CG2-CD1 3.99Å; I513-L517 HydrophobicContact CG2-CG 4.29Å; I513-L517 WeakPolarHBondContact O-CA 3.45Å; I513-L517 VanDerWaalsContact O-CB 3.26Å; I513-L517 WeakPolarHBondContact O-CB 3.27Å; I513-L517 PolarHBondContact O-N 2.71Å; I513-G518 PolarHBondContact O-N 3.41Å; I513-I519 HydrophobicContact CG2-CD1 4.27Å; I513-I519 HydrophobicContact CG2-CG1 3.99Å; I513-F520 HydrophobicContact CB-CD2 4.27Å; I513-F520 HydrophobicContact CB-CE2 3.76Å; I513-F520 HydrophobicContact CB-CZ 4Å; I513-F520 HydrophobicContact CD1-CE2 3.84Å; I513-F520 HydrophobicContact CD1-CZ 3.52Å; I513-F520 HydrophobicContact CG1-CE2 4.39Å; I513-F520 HydrophobicContact CG1-CZ 4.33Å; I513-F520 HydrophobicContact CG2-CD1 3.99Å; I513-F520 HydrophobicContact CG2-CD2 3.87Å; I513-F520 HydrophobicContact CG2-CE1 3.67Å; I513-F520 HydrophobicContact CG2-CE2 3.54Å; I513-F520 HydrophobicContact CG2-CG 4.1Å; I513-F520 HydrophobicContact CG2-CZ 3.46Å; I513-F520 VanDerWaalsContact CG2-CZ 3.46Å |
| 514 | V | 94.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | F510 Q511 R516 G518 F520 V524 F527 | F510-V514 HydrophobicContact CD1-CG2 3.87Å; F510-V514 HydrophobicContact CE1-CG2 3.65Å; F510-V514 HydrophobicContact CZ-CG2 4.25Å; F510-V514 WeakPolarHBondContact O-CG2 3.4Å; F510-V514 PolarHBondContact O-N 3.01Å; Q511-V514 PolarHBondContact O-N 3.27Å; V514-R516 VanDerWaalsContact C-N 3.32Å; V514-R516 PolarHBondContact O-N 3Å; V514-G518 WeakPolarHBondContact O-CA 3.38Å; V514-G518 PolarHBondContact O-N 3.5Å; V514-F520 HydrophobicContact CG2-CB 4.04Å; V514-F520 HydrophobicContact CG2-CD2 3.94Å; V514-F520 HydrophobicContact CG2-CG 4.4Å; V514-V524 HydrophobicContact CG1-CG2 3.77Å; V514-F527 HydrophobicContact CB-CD1 4.12Å; V514-F527 HydrophobicContact CB-CE1 4.45Å; V514-F527 HydrophobicContact CG1-CD1 3.79Å; V514-F527 HydrophobicContact CG1-CE1 3.79Å; V514-F527 HydrophobicContact CG2-CD1 4.48Å |
| 515 | G | 91.5 | Very high | 95.1 | Very high | 67 Ų | 67 | 35.9 Ų | 35.9 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.9 | -28.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q511 I513 | Q511-G515 PolarHBondContact O-N 3.05Å; I513-G515 PolarHBondContact O-N 3.35Å |
| 516 | R | 88.7 | Confident | 95.1 | Very high | 111 Ų | 111 | 35 Ų | 35 | 42% | 0.419 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -99.9 | -33.8 | -179 | -67.8 | -171 | -177.5 | -75.4 | -17.5 | 114.8 | A471 E512 I513 V514 | A471-R516 VanDerWaalsContact O-CD 3.32Å; A471-R516 WeakPolarHBondContact O-CD 3.24Å; E512-R516 WeakPolarHBondContact O-CB 3.42Å; E512-R516 WeakPolarHBondContact O-CG 3.15Å; E512-R516 PolarHBondContact O-N 3.11Å; E512-R516 VanDerWaalsContact O-N 3.13Å; E512-R516 IonicContact OE1-CZ 2.76Å; E512-R516 VanDerWaalsContact OE1-CZ 3.29Å; E512-R516 IonicContact OE1-NE 2.73Å; E512-R516 PolarHBondContact OE1-NE 3.49Å; E512-R516 IonicContact OE1-NH2 3.23Å; E512-R516 PolarHBondContact OE1-NH2 3.22Å; I513-R516 PolarHBondContact O-N 3.17Å; V514-R516 VanDerWaalsContact C-N 3.32Å; V514-R516 PolarHBondContact O-N 3Å |
| 517 | L | 91.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 37 Ų | 37 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -109.8 | -32.6 | -171.6 | -48.8 | -168.3 | 0 | 0 | 0 | 112.2 | A476 L479 I513 I519 | A476-L517 HydrophobicContact CB-CB 4.36Å; L479-L517 HydrophobicContact CB-CD1 4.25Å; L479-L517 HydrophobicContact CD1-CD1 3.44Å; L479-L517 VanDerWaalsContact CD1-CD1 3.44Å; L479-L517 HydrophobicContact CG-CD1 4.5Å; I513-L517 HydrophobicContact CG2-CB 4.39Å; I513-L517 HydrophobicContact CG2-CD1 3.99Å; I513-L517 HydrophobicContact CG2-CG 4.29Å; I513-L517 WeakPolarHBondContact O-CA 3.45Å; I513-L517 VanDerWaalsContact O-CB 3.26Å; I513-L517 WeakPolarHBondContact O-CB 3.27Å; I513-L517 PolarHBondContact O-N 2.71Å; L517-I519 HydrophobicContact CB-CB 4.41Å; L517-I519 HydrophobicContact CB-CD1 4.22Å; L517-I519 HydrophobicContact CB-CG1 3.92Å; L517-I519 HydrophobicContact CB-CG2 3.9Å; L517-I519 HydrophobicContact CD1-CD1 3.73Å; L517-I519 HydrophobicContact CD1-CG1 4.29Å; L517-I519 WeakPolarHBondContact O-CG2 3.19Å; L517-I519 PolarHBondContact O-N 2.86Å |
| 518 | G | 91.3 | Very high | 94.7 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 61% | 0.608 | 24% | 0.242 | S | C | * | . | trans | 62.8 | 18.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I513 V514 | I513-G518 PolarHBondContact O-N 3.41Å; V514-G518 WeakPolarHBondContact O-CA 3.38Å; V514-G518 PolarHBondContact O-N 3.5Å | ||
| 519 | I | 94.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | trans | -88.5 | -15.9 | -172.1 | 63.7 | 176.3 | 0 | 0 | 0 | 114.3 | A476 L479 D483 I513 L517 | A476-I519 HydrophobicContact CB-CG2 3.81Å; L479-I519 HydrophobicContact CB-CD1 3.81Å; D483-I519 HydrophobicContact CB-CB 4.16Å; D483-I519 HydrophobicContact CB-CD1 4.17Å; D483-I519 HydrophobicContact CB-CG1 4.21Å; I513-I519 HydrophobicContact CG2-CD1 4.27Å; I513-I519 HydrophobicContact CG2-CG1 3.99Å; L517-I519 HydrophobicContact CB-CB 4.41Å; L517-I519 HydrophobicContact CB-CD1 4.22Å; L517-I519 HydrophobicContact CB-CG1 3.92Å; L517-I519 HydrophobicContact CB-CG2 3.9Å; L517-I519 HydrophobicContact CD1-CD1 3.73Å; L517-I519 HydrophobicContact CD1-CG1 4.29Å; L517-I519 WeakPolarHBondContact O-CG2 3.19Å; L517-I519 PolarHBondContact O-N 2.86Å | ||
| 520 | F | 97 | Very high | 94.4 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -83.5 | 126.2 | -178.2 | -69.1 | -11.4 | 0 | 0 | 0 | 111.4 | D483 L486 A487 L490 F510 I513 V514 H522 G523 | D483-F520 WeakPolarHBondContact O-CD1 3.44Å; D483-F520 VanDerWaalsContact O-CE1 3.23Å; D483-F520 WeakPolarHBondContact O-CE1 3.35Å; L486-F520 HydrophobicContact CB-CE1 3.92Å; L486-F520 HydrophobicContact CB-CZ 3.84Å; A487-F520 HydrophobicContact CB-CB 4.23Å; A487-F520 HydrophobicContact CB-CD1 3.69Å; A487-F520 HydrophobicContact CB-CD2 4.15Å; A487-F520 HydrophobicContact CB-CE1 3.96Å; A487-F520 HydrophobicContact CB-CE2 4.38Å; A487-F520 HydrophobicContact CB-CG 3.78Å; A487-F520 HydrophobicContact CB-CZ 4.28Å; L490-F520 HydrophobicContact CD1-CE2 3.91Å; L490-F520 HydrophobicContact CD1-CZ 4.02Å; F510-F520 HydrophobicContact CD1-CD2 4.43Å; F510-F520 AromaticContact CD2-CD2 3.45Å; F510-F520 HydrophobicContact CD2-CD2 3.45Å; F510-F520 VanDerWaalsContact CD2-CD2 3.45Å; F510-F520 AromaticContact CD2-CE2 3.5Å; F510-F520 HydrophobicContact CD2-CE2 3.5Å; F510-F520 VanDerWaalsContact CD2-CE2 3.5Å; F510-F520 HydrophobicContact CE1-CD2 4.33Å; F510-F520 HydrophobicContact CE2-CB 4.35Å; F510-F520 AromaticContact CE2-CD2 3.3Å; F510-F520 HydrophobicContact CE2-CD2 3.3Å; F510-F520 AromaticContact CE2-CE2 3.8Å; F510-F520 HydrophobicContact CE2-CE2 3.8Å; F510-F520 HydrophobicContact CE2-CG 4.14Å; F510-F520 HydrophobicContact CG-CD2 4.03Å; F510-F520 HydrophobicContact CG-CE2 4.12Å; F510-F520 HydrophobicContact CZ-CB 4.21Å; F510-F520 AromaticContact CZ-CD2 3.79Å; F510-F520 HydrophobicContact CZ-CD2 3.79Å; F510-F520 HydrophobicContact CZ-CG 4.45Å; I513-F520 HydrophobicContact CB-CD2 4.27Å; I513-F520 HydrophobicContact CB-CE2 3.76Å; I513-F520 HydrophobicContact CB-CZ 4Å; I513-F520 HydrophobicContact CD1-CE2 3.84Å; I513-F520 HydrophobicContact CD1-CZ 3.52Å; I513-F520 HydrophobicContact CG1-CE2 4.39Å; I513-F520 HydrophobicContact CG1-CZ 4.33Å; I513-F520 HydrophobicContact CG2-CD1 3.99Å; I513-F520 HydrophobicContact CG2-CD2 3.87Å; I513-F520 HydrophobicContact CG2-CE1 3.67Å; I513-F520 HydrophobicContact CG2-CE2 3.54Å; I513-F520 HydrophobicContact CG2-CG 4.1Å; I513-F520 HydrophobicContact CG2-CZ 3.46Å; I513-F520 VanDerWaalsContact CG2-CZ 3.46Å; V514-F520 HydrophobicContact CG2-CB 4.04Å; V514-F520 HydrophobicContact CG2-CD2 3.94Å; V514-F520 HydrophobicContact CG2-CG 4.4Å; F520-H522 PolarHBondContact O-N 3.47Å; F520-G523 PolarHBondContact O-N 2.79Å; F520-G523 VanDerWaalsContact O-N 3.1Å |
| 521 | P | 96 | Very high | 94.1 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 130.4 | 176.7 | -23.8 | 33.2 | 0 | 0 | 0 | 111.4 | L484 G523 E554 Y555 | L484-P521 HydrophobicContact CD1-CG 4.45Å; P521-G523 PolarHBondContact O-N 3.21Å; P521-G523 VanDerWaalsContact O-N 3.08Å; P521-E554 HydrophobicContact CB-CG 4.17Å; P521-E554 HydrophobicContact CG-CG 4.48Å; P521-Y555 WeakPolarHBondContact O-CE2 3.11Å; P521-Y555 PolarHBondContact O-OH 2.99Å |
| 522 | H | 97.2 | Very high | 93.7 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 27.2 | -178.8 | -51.3 | -64.4 | 0 | 0 | 0 | 114.1 | F520 V524 E525 I526 F552 E554 | F520-H522 PolarHBondContact O-N 3.47Å; H522-V524 VanDerWaalsContact C-N 3.31Å; H522-V524 PolarHBondContact O-N 3.16Å; H522-E525 VanDerWaalsContact CA-OE2 3.26Å; H522-E525 WeakPolarHBondContact CA-OE2 3.38Å; H522-E525 PolarHBondContact O-N 3.1Å; H522-I526 HydrophobicContact CB-CD1 4.3Å; H522-I526 WeakPolarHBondContact O-CB 3.47Å; H522-I526 VanDerWaalsContact O-CG1 3.28Å; H522-I526 WeakPolarHBondContact O-CG1 3.21Å; H522-I526 PolarHBondContact O-N 3.14Å; H522-F552 HydrophobicContact CB-CD1 3.72Å; H522-F552 HydrophobicContact CB-CD2 4.11Å; H522-F552 HydrophobicContact CB-CE1 3.7Å; H522-F552 HydrophobicContact CB-CE2 4.12Å; H522-F552 HydrophobicContact CB-CG 3.92Å; H522-F552 HydrophobicContact CB-CZ 3.91Å; H522-F552 AromaticContact CD2-CD1 3.22Å; H522-F552 WeakPolarHBondContact CD2-CD1 3.28Å; H522-F552 AromaticContact CD2-CE1 3.92Å; H522-F552 AromaticContact CD2-CG 3.65Å; H522-F552 AromaticContact CE1-CD1 3.92Å; H522-F552 AromaticContact CG-CD1 3.24Å; H522-F552 AromaticContact CG-CE1 3.45Å; H522-F552 VanDerWaalsContact CG-CE1 3.45Å; H522-F552 AromaticContact CG-CG 3.82Å; H522-F552 AromaticContact ND1-CD1 3.71Å; H522-F552 AromaticContact ND1-CE1 3.62Å; H522-F552 AromaticContact NE2-CD1 3.67Å; H522-E554 IonicContact CD2-OE1 3.17Å; H522-E554 IonicContact CD2-OE2 2.58Å; H522-E554 IonicContact NE2-OE1 3.59Å; H522-E554 IonicContact NE2-OE2 2.81Å |
| 523 | G | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F520 P521 I526 F527 | F520-G523 PolarHBondContact O-N 2.79Å; F520-G523 VanDerWaalsContact O-N 3.1Å; P521-G523 PolarHBondContact O-N 3.21Å; P521-G523 VanDerWaalsContact O-N 3.08Å; G523-I526 PolarHBondContact O-N 3.07Å; G523-F527 WeakPolarHBondContact O-CD1 3.5Å; G523-F527 PolarHBondContact O-N 3.13Å |
| 524 | V | 95.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | -177.1 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | V514 H522 I526 F527 T528 | V514-V524 HydrophobicContact CG1-CG2 3.77Å; H522-V524 VanDerWaalsContact C-N 3.31Å; H522-V524 PolarHBondContact O-N 3.16Å; V524-I526 VanDerWaalsContact C-N 3.35Å; V524-F527 HydrophobicContact CB-CE1 4.11Å; V524-F527 HydrophobicContact CG1-CE1 4.07Å; V524-F527 HydrophobicContact CG1-CZ 4.38Å; V524-F527 HydrophobicContact CG2-CE1 4.15Å; V524-T528 WeakPolarHBondContact O-CB 3.33Å; V524-T528 WeakPolarHBondContact O-CG2 3.43Å; V524-T528 PolarHBondContact O-N 2.98Å; V524-T528 PolarHBondContact O-OG1 2.79Å |
| 525 | E | 97.2 | Very high | 93.2 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 177.1 | -59.7 | 90.2 | 153.1 | 0 | 0 | 110.6 | H522 T528 R529 F548 F552 | H522-E525 VanDerWaalsContact CA-OE2 3.26Å; H522-E525 WeakPolarHBondContact CA-OE2 3.38Å; H522-E525 PolarHBondContact O-N 3.1Å; E525-T528 PolarHBondContact O-OG1 3.23Å; E525-R529 PolarHBondContact O-N 2.82Å; E525-F548 HydrophobicContact CB-CZ 4.16Å; E525-F548 VanDerWaalsContact O-CE1 3.26Å; E525-F548 WeakPolarHBondContact O-CE1 3.36Å; E525-F552 HydrophobicContact CB-CE2 4.44Å; E525-F552 HydrophobicContact CB-CZ 3.95Å |
| 526 | I | 97.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.8 | -51.5 | -179.7 | -67.9 | 170.2 | 0 | 0 | 0 | 111.8 | V491 F510 H522 G523 V524 T528 R529 A530 V549 F552 Y555 | V491-I526 HydrophobicContact CG2-CG2 4.35Å; F510-I526 HydrophobicContact CE1-CB 4.08Å; F510-I526 HydrophobicContact CE1-CG2 3.9Å; F510-I526 HydrophobicContact CZ-CB 4.21Å; F510-I526 HydrophobicContact CZ-CD1 4.46Å; F510-I526 HydrophobicContact CZ-CG2 3.99Å; H522-I526 HydrophobicContact CB-CD1 4.3Å; H522-I526 WeakPolarHBondContact O-CB 3.47Å; H522-I526 VanDerWaalsContact O-CG1 3.28Å; H522-I526 WeakPolarHBondContact O-CG1 3.21Å; H522-I526 PolarHBondContact O-N 3.14Å; G523-I526 PolarHBondContact O-N 3.07Å; V524-I526 VanDerWaalsContact C-N 3.35Å; I526-T528 VanDerWaalsContact C-N 3.27Å; I526-T528 PolarHBondContact O-N 3.21Å; I526-R529 PolarHBondContact O-N 2.73Å; I526-A530 VanDerWaalsContact O-CB 3.28Å; I526-A530 WeakPolarHBondContact O-CB 3.37Å; I526-A530 PolarHBondContact O-N 2.62Å; I526-V549 HydrophobicContact CD1-CG1 4.29Å; I526-V549 HydrophobicContact CG1-CG2 4.32Å; I526-V549 HydrophobicContact CG2-CG2 4.12Å; I526-F552 HydrophobicContact CD1-CD2 4.03Å; I526-F552 HydrophobicContact CD1-CE2 4.41Å; I526-F552 HydrophobicContact CG1-CD2 3.98Å; I526-F552 HydrophobicContact CG1-CE2 3.88Å; I526-Y555 HydrophobicContact CD1-CD2 3.92Å; I526-Y555 HydrophobicContact CD1-CE1 4.37Å; I526-Y555 HydrophobicContact CD1-CE2 3.36Å |
| 527 | F | 92.9 | Very high | 93.5 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.7 | -28.2 | -174.2 | 86.8 | -110 | 0 | 0 | 0 | 112.5 | F510 Q511 V514 G523 V524 R529 A530 D531 | F510-F527 HydrophobicContact CD1-CB 3.99Å; F510-F527 HydrophobicContact CE1-CB 4.25Å; Q511-F527 HydrophobicContact CB-CB 4.4Å; Q511-F527 HydrophobicContact CB-CD2 4.47Å; Q511-F527 HydrophobicContact CB-CG 4.38Å; Q511-F527 HydrophobicContact CG-CD2 3.86Å; Q511-F527 HydrophobicContact CG-CE2 4.16Å; Q511-F527 HydrophobicContact CG-CG 4.13Å; V514-F527 HydrophobicContact CB-CD1 4.12Å; V514-F527 HydrophobicContact CB-CE1 4.45Å; V514-F527 HydrophobicContact CG1-CD1 3.79Å; V514-F527 HydrophobicContact CG1-CE1 3.79Å; V514-F527 HydrophobicContact CG2-CD1 4.48Å; G523-F527 WeakPolarHBondContact O-CD1 3.5Å; G523-F527 PolarHBondContact O-N 3.13Å; V524-F527 HydrophobicContact CB-CE1 4.11Å; V524-F527 HydrophobicContact CG1-CE1 4.07Å; V524-F527 HydrophobicContact CG1-CZ 4.38Å; V524-F527 HydrophobicContact CG2-CE1 4.15Å; F527-R529 VanDerWaalsContact C-N 3.33Å; F527-A530 CarbonylContact O-C 3.52Å; F527-D531 WeakPolarHBondContact O-CA 3.4Å; F527-D531 PolarHBondContact O-N 2.91Å |
| 528 | T | 93.3 | Very high | 93.7 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69 | -31.7 | 177.1 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | V524 E525 I526 | V524-T528 WeakPolarHBondContact O-CB 3.33Å; V524-T528 WeakPolarHBondContact O-CG2 3.43Å; V524-T528 PolarHBondContact O-N 2.98Å; V524-T528 PolarHBondContact O-OG1 2.79Å; E525-T528 PolarHBondContact O-OG1 3.23Å; I526-T528 VanDerWaalsContact C-N 3.27Å; I526-T528 PolarHBondContact O-N 3.21Å |
| 529 | R | 92.9 | Very high | 94 | Very high | 100 Ų | 100 | 53.7 Ų | 53.7 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -88.3 | -31.5 | 174.4 | -163.3 | 65.8 | 170.1 | 102.9 | 3.8 | 113.1 | E525 I526 F527 E544 F548 | E525-R529 PolarHBondContact O-N 2.82Å; I526-R529 PolarHBondContact O-N 2.73Å; F527-R529 VanDerWaalsContact C-N 3.33Å; R529-E544 IonicContact CZ-OE2 3.36Å; R529-E544 IonicContact NH2-OE2 3.41Å; R529-E544 PolarHBondContact NH2-OE2 3.02Å; R529-F548 HydrophobicContact CB-CD1 3.77Å; R529-F548 HydrophobicContact CB-CE1 3.71Å; R529-F548 HydrophobicContact CB-CG 4.42Å; R529-F548 HydrophobicContact CB-CZ 4.31Å; R529-F548 HydrophobicContact CG-CB 4.45Å; R529-F548 HydrophobicContact CG-CD1 3.85Å; R529-F548 HydrophobicContact CG-CE1 4.23Å; R529-F548 HydrophobicContact CG-CG 4.04Å |
| 530 | A | 93.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -102.7 | 46.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I494 S507 I526 F527 V535 I545 | I494-A530 HydrophobicContact CG2-CB 3.94Å; S507-A530 PolarHBondContact OG-O 2.8Å; I526-A530 VanDerWaalsContact O-CB 3.28Å; I526-A530 WeakPolarHBondContact O-CB 3.37Å; I526-A530 PolarHBondContact O-N 2.62Å; F527-A530 CarbonylContact O-C 3.52Å; A530-V535 HydrophobicContact CB-CG1 4.1Å; A530-V535 WeakPolarHBondContact O-CG1 3.5Å; A530-I545 HydrophobicContact CB-CG2 3.67Å |
| 531 | D | 90.8 | Very high | 94.2 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | trans | -74.1 | 172.6 | -178.5 | 78.5 | 23.1 | 0 | 0 | 0 | 112.9 | F527 Y533 A534 V535 | F527-D531 WeakPolarHBondContact O-CA 3.4Å; F527-D531 PolarHBondContact O-N 2.91Å; D531-Y533 PolarHBondContact O-N 3.13Å; D531-Y533 VanDerWaalsContact O-N 3.12Å; D531-Y533 WeakPolarHBondContact OD1-CA 3.48Å; D531-Y533 PolarHBondContact OD1-N 3.16Å; D531-A534 PolarHBondContact O-N 3.44Å; D531-A534 WeakPolarHBondContact OD1-CB 3.31Å; D531-A534 PolarHBondContact OD1-N 3.48Å; D531-V535 VanDerWaalsContact O-CG1 3.25Å; D531-V535 WeakPolarHBondContact O-CG1 3.13Å; D531-V535 VanDerWaalsContact O-CG2 3.23Å; D531-V535 WeakPolarHBondContact O-CG2 3.38Å; D531-V535 PolarHBondContact O-N 3.2Å | ||
| 532 | Y | 87.3 | Confident | 94.3 | Very high | 107 Ų | 107 | 52.8 Ų | 52.8 | 42% | 0.42 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31 | -178.1 | -178.1 | -91.9 | 0 | 0 | 0 | 115 | R504 | R504-Y532 HydrophobicContact CB-CD2 3.82Å; R504-Y532 HydrophobicContact CB-CE2 3.66Å; R504-Y532 VanDerWaalsContact CD-CE2 3.45Å; R504-Y532 VanDerWaalsContact CD-CZ 3.48Å; R504-Y532 HydrophobicContact CG-CD2 3.74Å; R504-Y532 HydrophobicContact CG-CE2 3.68Å; R504-Y532 HydrophobicContact CG-CG 4.32Å; R504-Y532 PolarHBondContact NE-O 3.23Å; R504-Y532 VanDerWaalsContact NE-O 3.13Å; R504-Y532 PolarHBondContact NH1-OH 2.84Å |
| 533 | Y | 90.5 | Very high | 94.4 | Very high | 178 Ų | 178 | 50.7 Ų | 50.7 | 70% | 0.698 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -45.3 | -178.7 | -64.1 | -75.6 | 0 | 0 | 0 | 111.3 | D531 V535 A536 | D531-Y533 PolarHBondContact O-N 3.13Å; D531-Y533 VanDerWaalsContact O-N 3.12Å; D531-Y533 WeakPolarHBondContact OD1-CA 3.48Å; D531-Y533 PolarHBondContact OD1-N 3.16Å; Y533-V535 VanDerWaalsContact C-N 3.32Å; Y533-V535 PolarHBondContact O-N 3.49Å; Y533-A536 WeakPolarHBondContact O-CB 3.47Å; Y533-A536 PolarHBondContact O-N 3.07Å; Y533-A536 VanDerWaalsContact O-N 3.12Å |
| 534 | A | 89.6 | Confident | 94.5 | Very high | 19 Ų | 19 | 55.3 Ų | 55.3 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -58.8 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D531 A536 S537 L540 I545 | D531-A534 PolarHBondContact O-N 3.44Å; D531-A534 WeakPolarHBondContact OD1-CB 3.31Å; D531-A534 PolarHBondContact OD1-N 3.48Å; A534-A536 PolarHBondContact O-N 3.31Å; A534-S537 PolarHBondContact O-N 3.23Å; A534-L540 HydrophobicContact CB-CD2 4.19Å; A534-I545 HydrophobicContact CB-CD1 4.01Å |
| 535 | V | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -70.4 | -5.6 | -178.6 | -55.1 | 0 | 0 | 0 | 0 | 113.6 | I494 R503 R504 A530 D531 Y533 S537 I545 | I494-V535 HydrophobicContact CG2-CG1 3.6Å; R503-V535 HydrophobicContact CB-CB 4.35Å; R503-V535 HydrophobicContact CB-CG2 4.36Å; R503-V535 PolarHBondContact NE-O 2.64Å; R503-V535 PolarHBondContact NH2-O 3.29Å; R504-V535 HydrophobicContact CG-CG2 3.89Å; A530-V535 HydrophobicContact CB-CG1 4.1Å; A530-V535 WeakPolarHBondContact O-CG1 3.5Å; D531-V535 VanDerWaalsContact O-CG1 3.25Å; D531-V535 WeakPolarHBondContact O-CG1 3.13Å; D531-V535 VanDerWaalsContact O-CG2 3.23Å; D531-V535 WeakPolarHBondContact O-CG2 3.38Å; D531-V535 PolarHBondContact O-N 3.2Å; Y533-V535 VanDerWaalsContact C-N 3.32Å; Y533-V535 PolarHBondContact O-N 3.49Å; V535-S537 VanDerWaalsContact C-N 3.27Å; V535-S537 PolarHBondContact O-N 3.46Å; V535-I545 HydrophobicContact CG1-CD1 4.49Å |
| 536 | A | 92 | Very high | 94.7 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -64.3 | -35.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V500 R503 Y533 A534 R538 | V500-A536 HydrophobicContact CG2-CB 4.23Å; R503-A536 PolarHBondContact NH2-O 3.41Å; Y533-A536 WeakPolarHBondContact O-CB 3.47Å; Y533-A536 PolarHBondContact O-N 3.07Å; Y533-A536 VanDerWaalsContact O-N 3.12Å; A534-A536 PolarHBondContact O-N 3.31Å; A536-R538 PolarHBondContact O-N 3.21Å |
| 537 | S | 94.6 | Very high | 94.7 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | trans | -84.6 | 107.8 | 178.8 | 177 | 0 | 0 | 0 | 0 | 111.3 | A534 V535 T539 L540 C541 | A534-S537 PolarHBondContact O-N 3.23Å; V535-S537 VanDerWaalsContact C-N 3.27Å; V535-S537 PolarHBondContact O-N 3.46Å; S537-T539 VanDerWaalsContact C-N 3.31Å; S537-T539 PolarHBondContact O-N 3.33Å; S537-L540 PolarHBondContact O-N 2.93Å; S537-L540 WeakPolarHBondContact OG-CB 3.22Å; S537-L540 PolarHBondContact OG-N 3.01Å; S537-C541 PolarHBondContact O-N 3.05Å; S537-C541 PolarHBondContact O-SG 3.31Å | ||
| 538 | R | 95.4 | Very high | 95 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 26% | 0.26 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 177.2 | -175.8 | 175.1 | 57.1 | 172.5 | 3 | 111.9 | A536 C541 Y542 D572 S574 L578 | A536-R538 PolarHBondContact O-N 3.21Å; R538-C541 WeakPolarHBondContact O-CB 3.43Å; R538-C541 PolarHBondContact O-N 3.22Å; R538-Y542 HydrophobicContact CG-CD2 4.12Å; R538-Y542 HydrophobicContact CG-CE2 4.02Å; R538-Y542 VanDerWaalsContact O-CD2 3.31Å; R538-Y542 WeakPolarHBondContact O-CD2 3.44Å; R538-Y542 PolarHBondContact O-N 3.01Å; R538-D572 IonicContact NH1-OD2 3.03Å; R538-D572 PolarHBondContact NH1-OD2 2.75Å; R538-S574 PolarHBondContact NH1-OG 2.8Å; R538-S574 PolarHBondContact NH2-OG 3.41Å; R538-L578 HydrophobicContact CG-CD1 3.78Å |
| 539 | T | 96.8 | Very high | 95.2 | Very high | 79 Ų | 79 | 44.7 Ų | 44.7 | 49% | 0.485 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.4 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | S537 C541 Y542 T543 L578 | S537-T539 VanDerWaalsContact C-N 3.31Å; S537-T539 PolarHBondContact O-N 3.33Å; T539-C541 VanDerWaalsContact C-N 3.28Å; T539-C541 PolarHBondContact O-N 3.23Å; T539-Y542 PolarHBondContact O-N 3.4Å; T539-T543 HydrophobicContact CG2-CG2 4.39Å; T539-T543 WeakPolarHBondContact O-CG2 3.2Å; T539-T543 PolarHBondContact O-N 3.21Å; T539-T543 VanDerWaalsContact O-N 3.08Å; T539-T543 PolarHBondContact O-OG1 3.15Å; T539-L578 HydrophobicContact CG2-CD2 4.25Å |
| 540 | L | 97.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 40 Ų | 40 | 18% | 0.183 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 178.4 | -173.5 | 67.4 | 0 | 0 | 0 | 112.2 | A534 S537 T543 E544 I545 | A534-L540 HydrophobicContact CB-CD2 4.19Å; S537-L540 PolarHBondContact O-N 2.93Å; S537-L540 WeakPolarHBondContact OG-CB 3.22Å; S537-L540 PolarHBondContact OG-N 3.01Å; L540-T543 PolarHBondContact O-N 3.04Å; L540-E544 HydrophobicContact CD1-CB 3.7Å; L540-E544 HydrophobicContact CD1-CG 3.78Å; L540-E544 WeakPolarHBondContact CD1-OE1 3.04Å; L540-E544 PolarHBondContact O-N 3.1Å; L540-E544 VanDerWaalsContact O-N 3.12Å; L540-I545 HydrophobicContact CD2-CD1 4.2Å; L540-I545 HydrophobicContact CG-CD1 4.05Å; L540-I545 HydrophobicContact CG-CG1 4.08Å; L540-I545 PolarHBondContact O-N 2.95Å; L540-I545 VanDerWaalsContact O-N 3.11Å |
| 541 | C | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -60.7 | -46.3 | 175 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | L495 S537 R538 T539 T543 L546 | L495-C541 HydrophobicContact CD2-CB 4.38Å; L495-C541 WeakPolarHBondContact O-CB 3.39Å; S537-C541 PolarHBondContact O-N 3.05Å; S537-C541 PolarHBondContact O-SG 3.31Å; R538-C541 WeakPolarHBondContact O-CB 3.43Å; R538-C541 PolarHBondContact O-N 3.22Å; T539-C541 VanDerWaalsContact C-N 3.28Å; T539-C541 PolarHBondContact O-N 3.23Å; C541-T543 VanDerWaalsContact C-N 3.3Å; C541-T543 PolarHBondContact O-N 2.87Å; C541-L546 VanDerWaalsContact O-CB 3.27Å; C541-L546 WeakPolarHBondContact O-CB 3.39Å; C541-L546 PolarHBondContact O-N 2.89Å; C541-L546 VanDerWaalsContact O-N 3.11Å |
| 542 | Y | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -78.3 | -11.2 | -178.4 | -82.5 | -106.2 | 0 | 0 | 0 | 113.9 | L495 F496 R538 T539 L546 L563 L578 A582 | L495-Y542 WeakPolarHBondContact O-CD2 3.27Å; L495-Y542 WeakPolarHBondContact O-CE2 3.45Å; F496-Y542 HydrophobicContact CB-CE2 4.4Å; F496-Y542 AromaticContact CD1-CD1 3.89Å; F496-Y542 HydrophobicContact CD1-CD1 3.89Å; F496-Y542 HydrophobicContact CD1-CD2 4.16Å; F496-Y542 AromaticContact CD1-CE1 3.58Å; F496-Y542 HydrophobicContact CD1-CE1 3.58Å; F496-Y542 AromaticContact CD1-CE2 3.88Å; F496-Y542 HydrophobicContact CD1-CE2 3.88Å; F496-Y542 HydrophobicContact CD1-CG 4.19Å; F496-Y542 AromaticContact CD1-CZ 3.59Å; F496-Y542 HydrophobicContact CE1-CD1 4.06Å; F496-Y542 HydrophobicContact CE1-CE1 4.12Å; F496-Y542 HydrophobicContact CE1-CG 4.42Å; F496-Y542 HydrophobicContact CG-CE1 4.46Å; F496-Y542 PolarHBondContact O-OH 2.81Å; F496-Y542 VanDerWaalsContact O-OH 3.12Å; R538-Y542 HydrophobicContact CG-CD2 4.12Å; R538-Y542 HydrophobicContact CG-CE2 4.02Å; R538-Y542 VanDerWaalsContact O-CD2 3.31Å; R538-Y542 WeakPolarHBondContact O-CD2 3.44Å; R538-Y542 PolarHBondContact O-N 3.01Å; T539-Y542 PolarHBondContact O-N 3.4Å; Y542-L546 WeakPolarHBondContact O-CD2 3.35Å; Y542-L563 HydrophobicContact CD1-CD2 4.28Å; Y542-L563 HydrophobicContact CE1-CD2 3.94Å; Y542-L578 HydrophobicContact CD1-CB 3.6Å; Y542-L578 WeakPolarHBondContact CD1-O 3.43Å; Y542-L578 HydrophobicContact CD2-CB 4.37Å; Y542-L578 HydrophobicContact CD2-CD1 4.22Å; Y542-L578 HydrophobicContact CE1-CB 4.01Å; Y542-L578 HydrophobicContact CG-CB 3.78Å; Y542-L578 HydrophobicContact CG-CD1 4.37Å; Y542-L578 HydrophobicContact CG-CG 4.5Å; Y542-A582 HydrophobicContact CD1-CB 3.96Å |
| 543 | T | 98 | Very high | 96.5 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -114.3 | -82.2 | -177.8 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | T539 L540 C541 V547 Q581 L585 | T539-T543 HydrophobicContact CG2-CG2 4.39Å; T539-T543 WeakPolarHBondContact O-CG2 3.2Å; T539-T543 PolarHBondContact O-N 3.21Å; T539-T543 VanDerWaalsContact O-N 3.08Å; T539-T543 PolarHBondContact O-OG1 3.15Å; L540-T543 PolarHBondContact O-N 3.04Å; C541-T543 VanDerWaalsContact C-N 3.3Å; C541-T543 PolarHBondContact O-N 2.87Å; T543-V547 WeakPolarHBondContact O-CB 3.45Å; T543-V547 WeakPolarHBondContact O-CG2 3.06Å; T543-V547 PolarHBondContact O-N 3.08Å; T543-Q581 HydrophobicContact CG2-CG 4.4Å; T543-L585 HydrophobicContact CG2-CD1 4.13Å |
| 544 | E | 97.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 37.9 Ų | 37.9 | 47% | 0.467 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -72 | -47.9 | -171.2 | -65.1 | -178.2 | -147.6 | 0 | 0 | 113.1 | R529 L540 V547 F548 | R529-E544 IonicContact CZ-OE2 3.36Å; R529-E544 IonicContact NH2-OE2 3.41Å; R529-E544 PolarHBondContact NH2-OE2 3.02Å; L540-E544 HydrophobicContact CD1-CB 3.7Å; L540-E544 HydrophobicContact CD1-CG 3.78Å; L540-E544 WeakPolarHBondContact CD1-OE1 3.04Å; L540-E544 PolarHBondContact O-N 3.1Å; L540-E544 VanDerWaalsContact O-N 3.12Å; E544-V547 PolarHBondContact O-N 2.95Å; E544-F548 PolarHBondContact O-N 3.12Å |
| 545 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -69.7 | -40.2 | -176.3 | -52.1 | 174.1 | 0 | 0 | 0 | 109.4 | L495 A530 A534 V535 L540 V547 F548 V549 | L495-I545 HydrophobicContact CD2-CB 3.82Å; L495-I545 HydrophobicContact CD2-CG2 3.51Å; A530-I545 HydrophobicContact CB-CG2 3.67Å; A534-I545 HydrophobicContact CB-CD1 4.01Å; V535-I545 HydrophobicContact CG1-CD1 4.49Å; L540-I545 HydrophobicContact CD2-CD1 4.2Å; L540-I545 HydrophobicContact CG-CD1 4.05Å; L540-I545 HydrophobicContact CG-CG1 4.08Å; L540-I545 PolarHBondContact O-N 2.95Å; L540-I545 VanDerWaalsContact O-N 3.11Å; I545-V547 VanDerWaalsContact C-N 3.32Å; I545-V547 PolarHBondContact O-N 3.08Å; I545-F548 PolarHBondContact O-N 3.11Å; I545-V549 HydrophobicContact CG2-CG2 4.25Å; I545-V549 VanDerWaalsContact O-CG2 3.3Å; I545-V549 WeakPolarHBondContact O-CG2 3.49Å; I545-V549 PolarHBondContact O-N 3.26Å |
| 546 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -51.8 | -51.7 | 171.9 | 175.3 | 67.1 | 0 | 0 | 0 | 112 | L495 F496 C541 Y542 F548 V549 A550 L559 A582 L586 | L495-L546 HydrophobicContact CD1-CD1 4.14Å; F496-L546 HydrophobicContact CE1-CD1 3.85Å; F496-L546 HydrophobicContact CE1-CD2 4.49Å; F496-L546 HydrophobicContact CZ-CD1 3.46Å; F496-L546 VanDerWaalsContact CZ-CD1 3.46Å; C541-L546 VanDerWaalsContact O-CB 3.27Å; C541-L546 WeakPolarHBondContact O-CB 3.39Å; C541-L546 PolarHBondContact O-N 2.89Å; C541-L546 VanDerWaalsContact O-N 3.11Å; Y542-L546 WeakPolarHBondContact O-CD2 3.35Å; L546-F548 VanDerWaalsContact C-N 3.33Å; L546-F548 PolarHBondContact O-N 3.46Å; L546-V549 PolarHBondContact O-N 3.38Å; L546-A550 VanDerWaalsContact O-CB 3.27Å; L546-A550 WeakPolarHBondContact O-CB 3.33Å; L546-A550 PolarHBondContact O-N 2.75Å; L546-L559 HydrophobicContact CD1-CB 4.21Å; L546-L559 HydrophobicContact CD1-CD1 3.94Å; L546-L559 HydrophobicContact CD1-CD2 4.26Å; L546-L559 HydrophobicContact CD1-CG 4.35Å; L546-A582 HydrophobicContact CD2-CB 3.34Å; L546-L586 HydrophobicContact CD1-CD1 4.23Å; L546-L586 HydrophobicContact CD1-CD2 4.21Å; L546-L586 HydrophobicContact CD2-CD1 4.12Å; L546-L586 HydrophobicContact CD2-CD2 4.34Å; L546-L586 HydrophobicContact CD2-CG 4.02Å; L546-L586 HydrophobicContact CG-CD1 4.47Å; L546-L586 HydrophobicContact CG-CD2 4.08Å; L546-L586 HydrophobicContact CG-CG 4.3Å |
| 547 | V | 98.5 | Very high | 97.6 | Very high | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | -178 | 163 | 0 | 0 | 0 | 0 | 110.7 | T543 E544 I545 A550 E551 L585 F589 | T543-V547 WeakPolarHBondContact O-CB 3.45Å; T543-V547 WeakPolarHBondContact O-CG2 3.06Å; T543-V547 PolarHBondContact O-N 3.08Å; E544-V547 PolarHBondContact O-N 2.95Å; I545-V547 VanDerWaalsContact C-N 3.32Å; I545-V547 PolarHBondContact O-N 3.08Å; V547-A550 PolarHBondContact O-N 3.21Å; V547-E551 PolarHBondContact O-N 2.99Å; V547-L585 HydrophobicContact CG2-CB 3.87Å; V547-L585 HydrophobicContact CG2-CD1 4.14Å; V547-L585 HydrophobicContact CG2-CG 4.41Å; V547-F589 HydrophobicContact CG1-CZ 4.09Å; V547-F589 WeakPolarHBondContact O-CZ 3.14Å |
| 548 | F | 98.3 | Very high | 97.8 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 177.2 | 176 | -99.7 | 0 | 0 | 0 | 112 | E525 R529 E544 I545 L546 A550 E551 F552 | E525-F548 HydrophobicContact CB-CZ 4.16Å; E525-F548 VanDerWaalsContact O-CE1 3.26Å; E525-F548 WeakPolarHBondContact O-CE1 3.36Å; R529-F548 HydrophobicContact CB-CD1 3.77Å; R529-F548 HydrophobicContact CB-CE1 3.71Å; R529-F548 HydrophobicContact CB-CG 4.42Å; R529-F548 HydrophobicContact CB-CZ 4.31Å; R529-F548 HydrophobicContact CG-CB 4.45Å; R529-F548 HydrophobicContact CG-CD1 3.85Å; R529-F548 HydrophobicContact CG-CE1 4.23Å; R529-F548 HydrophobicContact CG-CG 4.04Å; E544-F548 PolarHBondContact O-N 3.12Å; I545-F548 PolarHBondContact O-N 3.11Å; L546-F548 VanDerWaalsContact C-N 3.33Å; L546-F548 PolarHBondContact O-N 3.46Å; F548-A550 VanDerWaalsContact C-N 3.28Å; F548-A550 PolarHBondContact O-N 3.48Å; F548-E551 WeakPolarHBondContact O-CB 3.29Å; F548-E551 PolarHBondContact O-N 3.14Å; F548-F552 HydrophobicContact CD1-CE2 4.46Å; F548-F552 AromaticContact CE1-CE2 3.97Å; F548-F552 HydrophobicContact CE1-CE2 3.97Å; F548-F552 HydrophobicContact CZ-CE2 4.16Å; F548-F552 HydrophobicContact CZ-CZ 4.31Å |
| 549 | V | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -33.4 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | V491 L495 I526 I545 L546 E551 F552 Y555 L559 | V491-V549 HydrophobicContact CG1-CG1 3.72Å; L495-V549 HydrophobicContact CD1-CB 4.44Å; L495-V549 HydrophobicContact CD1-CG2 4.44Å; I526-V549 HydrophobicContact CD1-CG1 4.29Å; I526-V549 HydrophobicContact CG1-CG2 4.32Å; I526-V549 HydrophobicContact CG2-CG2 4.12Å; I545-V549 HydrophobicContact CG2-CG2 4.25Å; I545-V549 VanDerWaalsContact O-CG2 3.3Å; I545-V549 WeakPolarHBondContact O-CG2 3.49Å; I545-V549 PolarHBondContact O-N 3.26Å; L546-V549 PolarHBondContact O-N 3.38Å; V549-E551 PolarHBondContact O-N 3.03Å; V549-F552 WeakPolarHBondContact O-CB 3.21Å; V549-F552 PolarHBondContact O-N 3.46Å; V549-F552 VanDerWaalsContact O-N 3.13Å; V549-Y555 HydrophobicContact CG1-CD2 4.41Å; V549-Y555 HydrophobicContact CG1-CG 4.04Å; V549-L559 HydrophobicContact CB-CD1 4.42Å; V549-L559 HydrophobicContact CG1-CD1 4.03Å |
| 550 | A | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.9 | -13.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L546 V547 F548 F552 T556 L559 L586 F589 | L546-A550 VanDerWaalsContact O-CB 3.27Å; L546-A550 WeakPolarHBondContact O-CB 3.33Å; L546-A550 PolarHBondContact O-N 2.75Å; V547-A550 PolarHBondContact O-N 3.21Å; F548-A550 VanDerWaalsContact C-N 3.28Å; F548-A550 PolarHBondContact O-N 3.48Å; A550-F552 PolarHBondContact O-N 3.26Å; A550-T556 PolarHBondContact O-OG1 3.39Å; A550-L559 HydrophobicContact CB-CD1 4.1Å; A550-L586 HydrophobicContact CB-CD2 3.36Å; A550-F589 HydrophobicContact CB-CD1 4.46Å; A550-F589 HydrophobicContact CB-CD2 3.68Å; A550-F589 HydrophobicContact CB-CE1 4.4Å; A550-F589 HydrophobicContact CB-CE2 3.61Å; A550-F589 HydrophobicContact CB-CG 4.13Å; A550-F589 HydrophobicContact CB-CZ 3.98Å; A550-F589 WeakPolarHBondContact O-CD1 3.42Å |
| 551 | E | 97.9 | Very high | 98 | Very high | 123 Ų | 123 | 35.3 Ų | 35.3 | 58% | 0.575 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.5 | 169.7 | -66.4 | 175.5 | -177.5 | 0 | 0 | 111.8 | V547 F548 V549 F589 | V547-E551 PolarHBondContact O-N 2.99Å; F548-E551 WeakPolarHBondContact O-CB 3.29Å; F548-E551 PolarHBondContact O-N 3.14Å; V549-E551 PolarHBondContact O-N 3.03Å; E551-F589 HydrophobicContact CG-CE1 3.85Å; E551-F589 HydrophobicContact CG-CZ 4.28Å |
| 552 | F | 98 | Very high | 98 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -91.6 | 110 | 175.9 | -54.3 | -63.1 | 0 | 0 | 0 | 110.5 | H522 E525 I526 F548 V549 A550 E554 Y555 T556 | H522-F552 HydrophobicContact CB-CD1 3.72Å; H522-F552 HydrophobicContact CB-CD2 4.11Å; H522-F552 HydrophobicContact CB-CE1 3.7Å; H522-F552 HydrophobicContact CB-CE2 4.12Å; H522-F552 HydrophobicContact CB-CG 3.92Å; H522-F552 HydrophobicContact CB-CZ 3.91Å; H522-F552 AromaticContact CD2-CD1 3.22Å; H522-F552 WeakPolarHBondContact CD2-CD1 3.28Å; H522-F552 AromaticContact CD2-CE1 3.92Å; H522-F552 AromaticContact CD2-CG 3.65Å; H522-F552 AromaticContact CE1-CD1 3.92Å; H522-F552 AromaticContact CG-CD1 3.24Å; H522-F552 AromaticContact CG-CE1 3.45Å; H522-F552 VanDerWaalsContact CG-CE1 3.45Å; H522-F552 AromaticContact CG-CG 3.82Å; H522-F552 AromaticContact ND1-CD1 3.71Å; H522-F552 AromaticContact ND1-CE1 3.62Å; H522-F552 AromaticContact NE2-CD1 3.67Å; E525-F552 HydrophobicContact CB-CE2 4.44Å; E525-F552 HydrophobicContact CB-CZ 3.95Å; I526-F552 HydrophobicContact CD1-CD2 4.03Å; I526-F552 HydrophobicContact CD1-CE2 4.41Å; I526-F552 HydrophobicContact CG1-CD2 3.98Å; I526-F552 HydrophobicContact CG1-CE2 3.88Å; F548-F552 HydrophobicContact CD1-CE2 4.46Å; F548-F552 AromaticContact CE1-CE2 3.97Å; F548-F552 HydrophobicContact CE1-CE2 3.97Å; F548-F552 HydrophobicContact CZ-CE2 4.16Å; F548-F552 HydrophobicContact CZ-CZ 4.31Å; V549-F552 WeakPolarHBondContact O-CB 3.21Å; V549-F552 PolarHBondContact O-N 3.46Å; V549-F552 VanDerWaalsContact O-N 3.13Å; A550-F552 PolarHBondContact O-N 3.26Å; F552-E554 PolarHBondContact O-N 2.91Å; F552-Y555 HydrophobicContact CB-CD2 3.73Å; F552-Y555 HydrophobicContact CB-CE2 4.26Å; F552-Y555 PolarHBondContact O-N 2.73Å; F552-T556 PolarHBondContact O-N 3.29Å; F552-T556 PolarHBondContact O-OG1 3.04Å |
| 553 | S | 96.6 | Very high | 98 | Very high | 94 Ų | 94 | 35.6 Ų | 35.6 | 66% | 0.657 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -57.4 | -26 | -172.2 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | Y555 | S553-Y555 PolarHBondContact O-N 2.84Å |
| 554 | E | 97 | Very high | 98 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.6 | -30.6 | 176.2 | -64.8 | 85.1 | 168.8 | 0 | 0 | 111.7 | L484 R488 P521 H522 F552 | L484-E554 HydrophobicContact CD1-CB 4.03Å; R488-E554 VanDerWaalsContact CZ-O 3.24Å; R488-E554 PolarHBondContact NE-O 2.76Å; R488-E554 PolarHBondContact NH2-O 3.23Å; P521-E554 HydrophobicContact CB-CG 4.17Å; P521-E554 HydrophobicContact CG-CG 4.48Å; H522-E554 IonicContact CD2-OE1 3.17Å; H522-E554 IonicContact CD2-OE2 2.58Å; H522-E554 IonicContact NE2-OE1 3.59Å; H522-E554 IonicContact NE2-OE2 2.81Å; F552-E554 PolarHBondContact O-N 2.91Å |
| 555 | Y | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -104.4 | -31.7 | -174.8 | -59 | -82.8 | 0 | 0 | 0 | 112.8 | A487 R488 V491 P521 I526 V549 F552 S553 R557 S558 L559 | A487-Y555 HydrophobicContact CB-CE1 3.92Å; R488-Y555 HydrophobicContact CG-CD1 4.19Å; V491-Y555 HydrophobicContact CB-CD1 4.22Å; V491-Y555 HydrophobicContact CB-CE1 4.39Å; V491-Y555 HydrophobicContact CG1-CD1 4.18Å; V491-Y555 HydrophobicContact CG2-CD1 4.05Å; V491-Y555 HydrophobicContact CG2-CE1 3.79Å; P521-Y555 WeakPolarHBondContact O-CE2 3.11Å; P521-Y555 PolarHBondContact O-OH 2.99Å; I526-Y555 HydrophobicContact CD1-CD2 3.92Å; I526-Y555 HydrophobicContact CD1-CE1 4.37Å; I526-Y555 HydrophobicContact CD1-CE2 3.36Å; V549-Y555 HydrophobicContact CG1-CD2 4.41Å; V549-Y555 HydrophobicContact CG1-CG 4.04Å; F552-Y555 HydrophobicContact CB-CD2 3.73Å; F552-Y555 HydrophobicContact CB-CE2 4.26Å; F552-Y555 PolarHBondContact O-N 2.73Å; S553-Y555 PolarHBondContact O-N 2.84Å; Y555-R557 PolarHBondContact O-N 2.95Å; Y555-R557 VanDerWaalsContact O-N 3.15Å; Y555-S558 WeakPolarHBondContact O-CA 3.37Å; Y555-S558 WeakPolarHBondContact O-CB 3.32Å; Y555-S558 PolarHBondContact O-N 2.89Å; Y555-S558 PolarHBondContact O-OG 3.29Å; Y555-L559 WeakPolarHBondContact O-CG 3.38Å; Y555-L559 PolarHBondContact O-N 3.11Å |
| 556 | T | 98 | Very high | 97.5 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -45.8 | -53.2 | -171.2 | -43.4 | 0 | 0 | 0 | 0 | 113.7 | A550 F552 S558 L559 I560 F589 | A550-T556 PolarHBondContact O-OG1 3.39Å; F552-T556 PolarHBondContact O-N 3.29Å; F552-T556 PolarHBondContact O-OG1 3.04Å; T556-S558 PolarHBondContact O-N 3.29Å; T556-L559 PolarHBondContact O-N 2.9Å; T556-I560 HydrophobicContact CG2-CD1 4.28Å; T556-I560 WeakPolarHBondContact O-CG1 3.36Å; T556-I560 PolarHBondContact O-N 3.18Å; T556-F589 HydrophobicContact CG2-CB 3.6Å; T556-F589 HydrophobicContact CG2-CG 4.46Å |
| 557 | R | 97.7 | Very high | 97.4 | Very high | 151 Ų | 151 | 37.1 Ų | 37.1 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -70 | -31.8 | -178.9 | -72.8 | -170.8 | 176.3 | 178.2 | 1.8 | 113.7 | Y555 L559 I560 A561 D590 | Y555-R557 PolarHBondContact O-N 2.95Å; Y555-R557 VanDerWaalsContact O-N 3.15Å; R557-L559 VanDerWaalsContact C-N 3.33Å; R557-I560 PolarHBondContact O-N 3.48Å; R557-A561 VanDerWaalsContact O-CB 3.29Å; R557-A561 WeakPolarHBondContact O-CB 3.36Å; R557-A561 PolarHBondContact O-N 3.48Å; R557-D590 IonicContact CZ-OD2 3.55Å; R557-D590 IonicContact NE-OD2 2.74Å; R557-D590 PolarHBondContact NE-OD2 3.36Å; R557-D590 VanDerWaalsContact NE-OD2 3.09Å; R557-D590 IonicContact NH2-OD2 3.28Å; R557-D590 PolarHBondContact NH2-OD2 3.29Å; R557-D590 VanDerWaalsContact NH2-OD2 3.17Å |
| 558 | S | 97.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 36.2 Ų | 36.2 | 16% | 0.161 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | 175.7 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | Y555 T556 A561 D562 | Y555-S558 WeakPolarHBondContact O-CA 3.37Å; Y555-S558 WeakPolarHBondContact O-CB 3.32Å; Y555-S558 PolarHBondContact O-N 2.89Å; Y555-S558 PolarHBondContact O-OG 3.29Å; T556-S558 PolarHBondContact O-N 3.29Å; S558-A561 PolarHBondContact O-N 3.42Å; S558-D562 WeakPolarHBondContact O-CB 3.43Å; S558-D562 PolarHBondContact O-N 2.98Å |
| 559 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | 176 | -59.6 | 168.1 | 0 | 0 | 0 | 111.1 | V491 L495 F496 L546 V549 A550 Y555 T556 R557 D562 L563 L586 | V491-L559 HydrophobicContact CG1-CD2 3.93Å; L495-L559 HydrophobicContact CD1-CD2 3.58Å; F496-L559 HydrophobicContact CE2-CB 4.29Å; F496-L559 HydrophobicContact CE2-CD2 3.8Å; F496-L559 HydrophobicContact CZ-CB 4.35Å; F496-L559 HydrophobicContact CZ-CD2 4.11Å; L546-L559 HydrophobicContact CD1-CB 4.21Å; L546-L559 HydrophobicContact CD1-CD1 3.94Å; L546-L559 HydrophobicContact CD1-CD2 4.26Å; L546-L559 HydrophobicContact CD1-CG 4.35Å; V549-L559 HydrophobicContact CB-CD1 4.42Å; V549-L559 HydrophobicContact CG1-CD1 4.03Å; A550-L559 HydrophobicContact CB-CD1 4.1Å; Y555-L559 WeakPolarHBondContact O-CG 3.38Å; Y555-L559 PolarHBondContact O-N 3.11Å; T556-L559 PolarHBondContact O-N 2.9Å; R557-L559 VanDerWaalsContact C-N 3.33Å; L559-D562 PolarHBondContact O-N 3.39Å; L559-L563 VanDerWaalsContact O-CG 3.31Å; L559-L563 WeakPolarHBondContact O-CG 3.05Å; L559-L563 PolarHBondContact O-N 3.01Å; L559-L586 HydrophobicContact CB-CD1 4.45Å |
| 560 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 177.1 | -63.3 | 167.1 | 0 | 0 | 0 | 110.4 | T556 R557 D562 L563 L564 L583 L586 F594 V598 | T556-I560 HydrophobicContact CG2-CD1 4.28Å; T556-I560 WeakPolarHBondContact O-CG1 3.36Å; T556-I560 PolarHBondContact O-N 3.18Å; R557-I560 PolarHBondContact O-N 3.48Å; I560-D562 PolarHBondContact O-N 3.06Å; I560-L563 PolarHBondContact O-N 3.27Å; I560-L564 HydrophobicContact CG2-CD1 4.12Å; I560-L564 PolarHBondContact O-N 3.12Å; I560-L583 HydrophobicContact CG2-CD2 4.44Å; I560-L586 HydrophobicContact CG1-CB 4.42Å; I560-L586 HydrophobicContact CG1-CD1 3.87Å; I560-F594 HydrophobicContact CD1-CD2 4.42Å; I560-F594 HydrophobicContact CD1-CE2 3.64Å; I560-F594 HydrophobicContact CD1-CZ 4.27Å; I560-F594 HydrophobicContact CG1-CE2 4.16Å; I560-F594 HydrophobicContact CG1-CZ 4.29Å; I560-V598 HydrophobicContact CG2-CG2 3.66Å |
| 561 | A | 97.9 | Very high | 96.3 | Very high | 53 Ų | 53 | 40.4 Ų | 40.4 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R557 S558 L564 A565 | R557-A561 VanDerWaalsContact O-CB 3.29Å; R557-A561 WeakPolarHBondContact O-CB 3.36Å; R557-A561 PolarHBondContact O-N 3.48Å; S558-A561 PolarHBondContact O-N 3.42Å; A561-L564 PolarHBondContact O-N 3.03Å; A561-A565 VanDerWaalsContact O-CB 3.25Å; A561-A565 WeakPolarHBondContact O-CB 3.49Å; A561-A565 PolarHBondContact O-N 2.95Å |
| 562 | D | 97.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.4 | -172.1 | 67.5 | 0 | 0 | 0 | 112.3 | Y445 C492 F496 S558 L559 I560 L564 N566 R567 | Y445-D562 WeakPolarHBondContact CE1-OD1 3.42Å; C492-D562 HydrophobicContact CB-CB 4.29Å; F496-D562 HydrophobicContact CD2-CB 4.26Å; F496-D562 WeakPolarHBondContact CD2-OD2 3.31Å; F496-D562 HydrophobicContact CE2-CB 4.35Å; S558-D562 WeakPolarHBondContact O-CB 3.43Å; S558-D562 PolarHBondContact O-N 2.98Å; L559-D562 PolarHBondContact O-N 3.39Å; I560-D562 PolarHBondContact O-N 3.06Å; D562-L564 VanDerWaalsContact C-N 3.34Å; D562-L564 PolarHBondContact O-N 3.39Å; D562-N566 WeakPolarHBondContact O-CB 3.49Å; D562-N566 PolarHBondContact O-N 3.34Å; D562-N566 PolarHBondContact OD1-ND2 3.11Å; D562-R567 VanDerWaalsContact CG-NH2 3.35Å; D562-R567 IonicContact OD1-CZ 2.78Å; D562-R567 IonicContact OD1-NH2 3.81Å; D562-R567 PolarHBondContact OD1-NH2 3.13Å; D562-R567 VanDerWaalsContact OD1-NH2 3.13Å; D562-R567 IonicContact OD2-CZ 3.68Å; D562-R567 IonicContact OD2-NE 2.91Å; D562-R567 PolarHBondContact OD2-NE 2.97Å; D562-R567 IonicContact OD2-NH2 3.31Å; D562-R567 PolarHBondContact OD2-NH2 3.18Å |
| 563 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -57.7 | -48.1 | 175.9 | -74.3 | 166.4 | 0 | 0 | 0 | 111.2 | F496 Y542 L559 I560 R567 V568 A579 A582 L583 L586 | F496-L563 HydrophobicContact CD1-CD2 4.13Å; F496-L563 HydrophobicContact CE1-CD1 4.43Å; F496-L563 HydrophobicContact CE1-CD2 3.74Å; F496-L563 HydrophobicContact CE1-CG 4.16Å; F496-L563 HydrophobicContact CE2-CD2 4.4Å; F496-L563 HydrophobicContact CE2-CG 4.09Å; F496-L563 HydrophobicContact CZ-CD1 3.95Å; F496-L563 HydrophobicContact CZ-CD2 3.86Å; F496-L563 HydrophobicContact CZ-CG 3.73Å; Y542-L563 HydrophobicContact CD1-CD2 4.28Å; Y542-L563 HydrophobicContact CE1-CD2 3.94Å; L559-L563 VanDerWaalsContact O-CG 3.31Å; L559-L563 WeakPolarHBondContact O-CG 3.05Å; L559-L563 PolarHBondContact O-N 3.01Å; I560-L563 PolarHBondContact O-N 3.27Å; L563-R567 HydrophobicContact CD2-CB 4.14Å; L563-R567 HydrophobicContact CD2-CG 4.07Å; L563-R567 CarbonylContact O-C 3.58Å; L563-R567 WeakPolarHBondContact O-CA 3.33Å; L563-R567 WeakPolarHBondContact O-CB 3.28Å; L563-R567 PolarHBondContact O-N 3.12Å; L563-V568 WeakPolarHBondContact O-CG2 3.3Å; L563-V568 PolarHBondContact O-N 2.89Å; L563-A579 HydrophobicContact CD2-CB 4.03Å; L563-A582 HydrophobicContact CD1-CB 3.8Å; L563-A582 HydrophobicContact CD2-CB 3.91Å; L563-L583 HydrophobicContact CB-CD2 4.03Å; L563-L583 HydrophobicContact CB-CG 4.32Å; L563-L583 HydrophobicContact CD1-CD2 3.97Å; L563-L583 HydrophobicContact CD1-CG 4.21Å; L563-L586 HydrophobicContact CD1-CD1 3.47Å; L563-L586 VanDerWaalsContact CD1-CD1 3.47Å |
| 564 | L | 97.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -64.9 | -52.9 | 178.3 | -73.9 | 173.8 | 0 | 0 | 0 | 112.2 | I560 A561 D562 N566 V568 L583 V598 L602 M605 | I560-L564 HydrophobicContact CG2-CD1 4.12Å; I560-L564 PolarHBondContact O-N 3.12Å; A561-L564 PolarHBondContact O-N 3.03Å; D562-L564 VanDerWaalsContact C-N 3.34Å; D562-L564 PolarHBondContact O-N 3.39Å; L564-N566 PolarHBondContact O-N 3.08Å; L564-V568 HydrophobicContact CD2-CG2 4.41Å; L564-L583 HydrophobicContact CD2-CD1 4.46Å; L564-V598 HydrophobicContact CD1-CB 4.35Å; L564-V598 HydrophobicContact CD1-CG1 4.15Å; L564-V598 HydrophobicContact CD1-CG2 4.1Å; L564-V598 HydrophobicContact CD2-CG1 4.03Å; L564-V598 HydrophobicContact CG-CG1 4.47Å; L564-L602 HydrophobicContact CD2-CD2 3.71Å; L564-L602 HydrophobicContact CD2-CG 4.13Å; L564-M605 WeakPolarHBondContact O-CE 3.41Å |
| 565 | A | 94.4 | Very high | 95.5 | Very high | 61 Ų | 61 | 33.7 Ų | 33.7 | 50% | 0.504 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -68.6 | -36.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A561 | A561-A565 VanDerWaalsContact O-CB 3.25Å; A561-A565 WeakPolarHBondContact O-CB 3.49Å; A561-A565 PolarHBondContact O-N 2.95Å |
| 566 | N | 92.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -125 | -15.8 | -164.5 | -59.3 | -51.1 | 0 | 0 | 0 | 115.3 | D562 L564 | D562-N566 WeakPolarHBondContact O-CB 3.49Å; D562-N566 PolarHBondContact O-N 3.34Å; D562-N566 PolarHBondContact OD1-ND2 3.11Å; L564-N566 PolarHBondContact O-N 3.08Å |
| 567 | R | 95.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -115.1 | -39.4 | -170.5 | -44.5 | -57.2 | 168.9 | -141.5 | -0.2 | 113.6 | F496 D562 L563 S569 H570 I575 A579 | F496-R567 HydrophobicContact CB-CG 4.35Å; F496-R567 VanDerWaalsContact CB-NE 3.34Å; D562-R567 VanDerWaalsContact CG-NH2 3.35Å; D562-R567 IonicContact OD1-CZ 2.78Å; D562-R567 IonicContact OD1-NH2 3.81Å; D562-R567 PolarHBondContact OD1-NH2 3.13Å; D562-R567 VanDerWaalsContact OD1-NH2 3.13Å; D562-R567 IonicContact OD2-CZ 3.68Å; D562-R567 IonicContact OD2-NE 2.91Å; D562-R567 PolarHBondContact OD2-NE 2.97Å; D562-R567 IonicContact OD2-NH2 3.31Å; D562-R567 PolarHBondContact OD2-NH2 3.18Å; L563-R567 HydrophobicContact CD2-CB 4.14Å; L563-R567 HydrophobicContact CD2-CG 4.07Å; L563-R567 CarbonylContact O-C 3.58Å; L563-R567 WeakPolarHBondContact O-CA 3.33Å; L563-R567 WeakPolarHBondContact O-CB 3.28Å; L563-R567 PolarHBondContact O-N 3.12Å; R567-S569 VanDerWaalsContact C-N 3.3Å; R567-S569 PolarHBondContact O-N 3.37Å; R567-H570 WeakPolarHBondContact O-CB 3.44Å; R567-H570 PolarHBondContact O-N 2.66Å; R567-H570 VanDerWaalsContact O-N 3.17Å; R567-I575 HydrophobicContact CB-CG2 4.12Å; R567-A579 HydrophobicContact CB-CB 3.78Å |
| 568 | V | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -41.6 | 177.8 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L563 L564 R576 A579 L583 L602 M605 G616 A617 | L563-V568 WeakPolarHBondContact O-CG2 3.3Å; L563-V568 PolarHBondContact O-N 2.89Å; L564-V568 HydrophobicContact CD2-CG2 4.41Å; V568-R576 WeakPolarHBondContact O-CD 3.4Å; V568-R576 VanDerWaalsContact O-CG 3.29Å; V568-R576 WeakPolarHBondContact O-CG 3.22Å; V568-A579 HydrophobicContact CG2-CB 4.34Å; V568-L583 HydrophobicContact CG2-CD1 3.78Å; V568-L602 HydrophobicContact CG1-CD2 3.94Å; V568-L602 HydrophobicContact CG2-CD2 4.28Å; V568-M605 HydrophobicContact CB-SD 4.4Å; V568-M605 HydrophobicContact CG1-SD 3.75Å; V568-G616 WeakPolarHBondContact O-CA 3.41Å; V568-A617 HydrophobicContact CG1-CB 4.39Å |
| 569 | S | 93.5 | Very high | 95.4 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 30% | 0.301 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 17 | 178 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | R567 I612 | R567-S569 VanDerWaalsContact C-N 3.3Å; R567-S569 PolarHBondContact O-N 3.37Å; S569-I612 VanDerWaalsContact O-CG2 3.25Å; S569-I612 WeakPolarHBondContact O-CG2 3.4Å |
| 570 | H | 92.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 13% | 0.125 | 18% | 0.182 | C | C | . | . | trans | -69.7 | 144.8 | -176.3 | -169.6 | -85.3 | 0 | 0 | 0 | 112.2 | R567 D572 I575 R576 I612 | R567-H570 WeakPolarHBondContact O-CB 3.44Å; R567-H570 PolarHBondContact O-N 2.66Å; R567-H570 VanDerWaalsContact O-N 3.17Å; H570-D572 VanDerWaalsContact C-N 3.34Å; H570-D572 VanDerWaalsContact ND1-CB 3.35Å; H570-D572 WeakPolarHBondContact ND1-CB 3.5Å; H570-D572 PolarHBondContact ND1-N 3.27Å; H570-D572 PolarHBondContact O-N 3.15Å; H570-I575 HydrophobicContact CB-CB 4.28Å; H570-I575 HydrophobicContact CB-CG2 3.72Å; H570-I575 VanDerWaalsContact CE1-CD1 3.44Å; H570-I575 WeakPolarHBondContact CE1-CD1 3.43Å; H570-R576 VanDerWaalsContact O-CD 3.23Å; H570-R576 WeakPolarHBondContact O-CD 3.14Å; H570-R576 VanDerWaalsContact O-CG 3.26Å; H570-R576 WeakPolarHBondContact O-CG 3.5Å; H570-R576 PolarHBondContact O-NH1 3.21Å; H570-I612 VanDerWaalsContact O-CG2 3.24Å; H570-I612 WeakPolarHBondContact O-CG2 3.35Å | ||
| 571 | A | 88.4 | Confident | 95.3 | Very high | 71 Ų | 71 | 32 Ų | 32 | 59% | 0.587 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -62.1 | -36.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E573 R576 | A571-E573 PolarHBondContact O-N 2.54Å; A571-R576 PolarHBondContact O-NH1 2.83Å |
| 572 | D | 89.6 | Confident | 95.4 | Very high | 34 Ų | 34 | 29.5 Ų | 29.5 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -72.3 | 118 | 174.3 | -172.3 | -19.3 | 0 | 0 | 0 | 111.8 | R498 R538 H570 S574 I575 R576 | R498-D572 IonicContact CZ-OD2 2.89Å; R498-D572 IonicContact NH1-OD2 3.29Å; R498-D572 PolarHBondContact NH1-OD2 3.07Å; R538-D572 IonicContact NH1-OD2 3.03Å; R538-D572 PolarHBondContact NH1-OD2 2.75Å; H570-D572 VanDerWaalsContact C-N 3.34Å; H570-D572 VanDerWaalsContact ND1-CB 3.35Å; H570-D572 WeakPolarHBondContact ND1-CB 3.5Å; H570-D572 PolarHBondContact ND1-N 3.27Å; H570-D572 PolarHBondContact O-N 3.15Å; D572-S574 VanDerWaalsContact C-N 3.29Å; D572-S574 VanDerWaalsContact CG-OG 3.22Å; D572-S574 PolarHBondContact O-N 2.72Å; D572-S574 WeakPolarHBondContact OD1-CB 3.37Å; D572-S574 PolarHBondContact OD1-N 2.94Å; D572-S574 PolarHBondContact OD1-OG 2.99Å; D572-S574 PolarHBondContact OD2-OG 3.5Å; D572-I575 HydrophobicContact CB-CB 4.27Å; D572-I575 HydrophobicContact CB-CD1 4.03Å; D572-I575 HydrophobicContact CB-CG1 4.18Å; D572-I575 PolarHBondContact O-N 3.15Å; D572-I575 VanDerWaalsContact O-N 3.16Å; D572-R576 PolarHBondContact O-N 3.39Å |
| 573 | E | 91.7 | Very high | 95.4 | Very high | 89 Ų | 89 | 29.2 Ų | 29.2 | 42% | 0.416 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.3 | -38.5 | 178.8 | -173.6 | 179.6 | 154.2 | 0 | 0 | 112.8 | A571 I575 R576 S577 | A571-E573 PolarHBondContact O-N 2.54Å; E573-I575 PolarHBondContact O-N 2.86Å; E573-R576 WeakPolarHBondContact O-CB 3.16Å; E573-R576 PolarHBondContact O-N 2.82Å; E573-R576 VanDerWaalsContact O-N 3.08Å; E573-S577 PolarHBondContact O-N 3.07Å; E573-S577 PolarHBondContact O-OG 3.28Å |
| 574 | S | 94.6 | Very high | 95.4 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 28% | 0.28 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.3 | -31.9 | 179.8 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | R538 D572 L578 | R538-S574 PolarHBondContact NH1-OG 2.8Å; R538-S574 PolarHBondContact NH2-OG 3.41Å; D572-S574 VanDerWaalsContact C-N 3.29Å; D572-S574 VanDerWaalsContact CG-OG 3.22Å; D572-S574 PolarHBondContact O-N 2.72Å; D572-S574 WeakPolarHBondContact OD1-CB 3.37Å; D572-S574 PolarHBondContact OD1-N 2.94Å; D572-S574 PolarHBondContact OD1-OG 2.99Å; D572-S574 PolarHBondContact OD2-OG 3.5Å; S574-L578 WeakPolarHBondContact O-CB 3.23Å; S574-L578 VanDerWaalsContact O-CG 3.31Å; S574-L578 WeakPolarHBondContact O-CG 3.33Å; S574-L578 PolarHBondContact O-N 3.3Å |
| 575 | I | 95.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.2 | -38 | 174.8 | -70.6 | 174.7 | 0 | 0 | 0 | 110.6 | R498 R567 H570 D572 E573 L578 A579 | R498-I575 HydrophobicContact CB-CD1 3.63Å; R498-I575 HydrophobicContact CG-CD1 3.76Å; R567-I575 HydrophobicContact CB-CG2 4.12Å; H570-I575 HydrophobicContact CB-CB 4.28Å; H570-I575 HydrophobicContact CB-CG2 3.72Å; H570-I575 VanDerWaalsContact CE1-CD1 3.44Å; H570-I575 WeakPolarHBondContact CE1-CD1 3.43Å; D572-I575 HydrophobicContact CB-CB 4.27Å; D572-I575 HydrophobicContact CB-CD1 4.03Å; D572-I575 HydrophobicContact CB-CG1 4.18Å; D572-I575 PolarHBondContact O-N 3.15Å; D572-I575 VanDerWaalsContact O-N 3.16Å; E573-I575 PolarHBondContact O-N 2.86Å; I575-L578 PolarHBondContact O-N 3.13Å; I575-A579 VanDerWaalsContact O-CB 3.24Å; I575-A579 WeakPolarHBondContact O-CB 3.49Å; I575-A579 PolarHBondContact O-N 2.91Å |
| 576 | R | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 174.6 | -59.1 | -162.2 | -65 | -68.9 | -5.8 | 111.3 | V568 H570 A571 D572 E573 A579 A580 I612 H615 M674 | V568-R576 WeakPolarHBondContact O-CD 3.4Å; V568-R576 VanDerWaalsContact O-CG 3.29Å; V568-R576 WeakPolarHBondContact O-CG 3.22Å; H570-R576 VanDerWaalsContact O-CD 3.23Å; H570-R576 WeakPolarHBondContact O-CD 3.14Å; H570-R576 VanDerWaalsContact O-CG 3.26Å; H570-R576 WeakPolarHBondContact O-CG 3.5Å; H570-R576 PolarHBondContact O-NH1 3.21Å; A571-R576 PolarHBondContact O-NH1 2.83Å; D572-R576 PolarHBondContact O-N 3.39Å; E573-R576 WeakPolarHBondContact O-CB 3.16Å; E573-R576 PolarHBondContact O-N 2.82Å; E573-R576 VanDerWaalsContact O-N 3.08Å; R576-A579 PolarHBondContact O-N 3.12Å; R576-A580 PolarHBondContact O-N 2.86Å; R576-I612 WeakPolarHBondContact CD-O 3.35Å; R576-H615 PolarHBondContact NE-ND1 3.47Å; R576-H615 PolarHBondContact NH2-ND1 3.24Å; R576-M674 PolarHBondContact NH2-SD 3.33Å |
| 577 | S | 96.8 | Very high | 95.9 | Very high | 54 Ų | 54 | 28.1 Ų | 28.1 | 38% | 0.378 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.3 | -45 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | E573 A579 A580 Q581 | E573-S577 PolarHBondContact O-N 3.07Å; E573-S577 PolarHBondContact O-OG 3.28Å; S577-A579 VanDerWaalsContact C-N 3.32Å; S577-A579 PolarHBondContact O-N 3.44Å; S577-A580 PolarHBondContact O-N 2.85Å; S577-Q581 PolarHBondContact O-N 2.98Å; S577-Q581 VanDerWaalsContact O-N 3.08Å |
| 578 | L | 98.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -35.2 | 175.3 | -74.2 | 172.7 | 0 | 0 | 0 | 112.1 | R538 T539 Y542 S574 I575 Q581 A582 | R538-L578 HydrophobicContact CG-CD1 3.78Å; T539-L578 HydrophobicContact CG2-CD2 4.25Å; Y542-L578 HydrophobicContact CD1-CB 3.6Å; Y542-L578 WeakPolarHBondContact CD1-O 3.43Å; Y542-L578 HydrophobicContact CD2-CB 4.37Å; Y542-L578 HydrophobicContact CD2-CD1 4.22Å; Y542-L578 HydrophobicContact CE1-CB 4.01Å; Y542-L578 HydrophobicContact CG-CB 3.78Å; Y542-L578 HydrophobicContact CG-CD1 4.37Å; Y542-L578 HydrophobicContact CG-CG 4.5Å; S574-L578 WeakPolarHBondContact O-CB 3.23Å; S574-L578 VanDerWaalsContact O-CG 3.31Å; S574-L578 WeakPolarHBondContact O-CG 3.33Å; S574-L578 PolarHBondContact O-N 3.3Å; I575-L578 PolarHBondContact O-N 3.13Å; L578-Q581 PolarHBondContact O-N 3.5Å; L578-A582 VanDerWaalsContact O-CB 3.23Å; L578-A582 WeakPolarHBondContact O-CB 3.36Å; L578-A582 PolarHBondContact O-N 3.4Å |
| 579 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L563 R567 V568 I575 R576 S577 A582 L583 | L563-A579 HydrophobicContact CD2-CB 4.03Å; R567-A579 HydrophobicContact CB-CB 3.78Å; V568-A579 HydrophobicContact CG2-CB 4.34Å; I575-A579 VanDerWaalsContact O-CB 3.24Å; I575-A579 WeakPolarHBondContact O-CB 3.49Å; I575-A579 PolarHBondContact O-N 2.91Å; R576-A579 PolarHBondContact O-N 3.12Å; S577-A579 VanDerWaalsContact C-N 3.32Å; S577-A579 PolarHBondContact O-N 3.44Å; A579-A582 PolarHBondContact O-N 2.99Å; A579-L583 WeakPolarHBondContact O-CB 3.45Å; A579-L583 VanDerWaalsContact O-CG 3.3Å; A579-L583 WeakPolarHBondContact O-CG 3.49Å; A579-L583 PolarHBondContact O-N 3.38Å |
| 580 | A | 98.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R576 S577 L583 Q584 L619 A620 S623 | R576-A580 PolarHBondContact O-N 2.86Å; S577-A580 PolarHBondContact O-N 2.85Å; A580-L583 PolarHBondContact O-N 3.34Å; A580-Q584 PolarHBondContact O-N 2.74Å; A580-L619 HydrophobicContact CB-CB 3.87Å; A580-A620 HydrophobicContact CB-CB 4.31Å; A580-S623 WeakPolarHBondContact O-CB 3.41Å |
| 581 | Q | 98 | Very high | 96.3 | Very high | 78 Ų | 78 | 37.9 Ų | 37.9 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64 | -43.2 | 175.7 | -171.9 | 177.7 | 23.5 | 0 | 0 | 112.3 | T543 S577 L578 Q584 L585 | T543-Q581 HydrophobicContact CG2-CG 4.4Å; S577-Q581 PolarHBondContact O-N 2.98Å; S577-Q581 VanDerWaalsContact O-N 3.08Å; L578-Q581 PolarHBondContact O-N 3.5Å; Q581-Q584 WeakPolarHBondContact O-CB 3.41Å; Q581-Q584 PolarHBondContact O-N 3.25Å; Q581-L585 HydrophobicContact CG-CD1 4.48Å; Q581-L585 WeakPolarHBondContact O-CG 3.4Å; Q581-L585 PolarHBondContact O-N 3.21Å |
| 582 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y542 L546 L563 L578 A579 Q584 L585 L586 | Y542-A582 HydrophobicContact CD1-CB 3.96Å; L546-A582 HydrophobicContact CD2-CB 3.34Å; L563-A582 HydrophobicContact CD1-CB 3.8Å; L563-A582 HydrophobicContact CD2-CB 3.91Å; L578-A582 VanDerWaalsContact O-CB 3.23Å; L578-A582 WeakPolarHBondContact O-CB 3.36Å; L578-A582 PolarHBondContact O-N 3.4Å; A579-A582 PolarHBondContact O-N 2.99Å; A582-Q584 VanDerWaalsContact C-N 3.33Å; A582-Q584 PolarHBondContact O-N 3.25Å; A582-L585 PolarHBondContact O-N 3.11Å; A582-L585 VanDerWaalsContact O-N 3.17Å; A582-L586 WeakPolarHBondContact O-CB 3.38Å; A582-L586 VanDerWaalsContact O-CG 3.28Å; A582-L586 WeakPolarHBondContact O-CG 3.23Å; A582-L586 PolarHBondContact O-N 2.81Å |
| 583 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | 176.5 | -74 | 172.9 | 0 | 0 | 0 | 111.7 | I560 L563 L564 V568 A579 A580 L585 L586 V587 F594 V598 A620 V624 | I560-L583 HydrophobicContact CG2-CD2 4.44Å; L563-L583 HydrophobicContact CB-CD2 4.03Å; L563-L583 HydrophobicContact CB-CG 4.32Å; L563-L583 HydrophobicContact CD1-CD2 3.97Å; L563-L583 HydrophobicContact CD1-CG 4.21Å; L564-L583 HydrophobicContact CD2-CD1 4.46Å; V568-L583 HydrophobicContact CG2-CD1 3.78Å; A579-L583 WeakPolarHBondContact O-CB 3.45Å; A579-L583 VanDerWaalsContact O-CG 3.3Å; A579-L583 WeakPolarHBondContact O-CG 3.49Å; A579-L583 PolarHBondContact O-N 3.38Å; A580-L583 PolarHBondContact O-N 3.34Å; L583-L585 VanDerWaalsContact C-N 3.34Å; L583-L585 PolarHBondContact O-N 3.3Å; L583-L586 PolarHBondContact O-N 3.05Å; L583-L586 VanDerWaalsContact O-N 3.16Å; L583-V587 WeakPolarHBondContact O-CG2 3.38Å; L583-V587 PolarHBondContact O-N 3.21Å; L583-F594 HydrophobicContact CB-CE1 4.19Å; L583-F594 HydrophobicContact CD2-CE1 4.04Å; L583-F594 HydrophobicContact CD2-CZ 4.1Å; L583-F594 WeakPolarHBondContact O-CE1 3.49Å; L583-F594 VanDerWaalsContact O-CZ 3.28Å; L583-F594 WeakPolarHBondContact O-CZ 3.36Å; L583-V598 HydrophobicContact CD2-CG1 4.43Å; L583-A620 HydrophobicContact CD1-CB 3.83Å; L583-V624 HydrophobicContact CB-CG2 3.84Å |
| 584 | Q | 97.9 | Very high | 97.3 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 174 | -179.5 | -179.4 | 46.3 | 0 | 0 | 112.5 | A580 Q581 A582 L586 S623 A627 | A580-Q584 PolarHBondContact O-N 2.74Å; Q581-Q584 WeakPolarHBondContact O-CB 3.41Å; Q581-Q584 PolarHBondContact O-N 3.25Å; A582-Q584 VanDerWaalsContact C-N 3.33Å; A582-Q584 PolarHBondContact O-N 3.25Å; Q584-L586 VanDerWaalsContact C-N 3.26Å; Q584-L586 PolarHBondContact O-N 3.35Å; Q584-S623 VanDerWaalsContact CG-O 3.28Å; Q584-S623 WeakPolarHBondContact CG-O 3.44Å; Q584-S623 PolarHBondContact NE2-O 3.43Å; Q584-A627 HydrophobicContact CG-CB 3.76Å; Q584-A627 WeakPolarHBondContact O-CB 3.21Å |
| 585 | L | 98.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 32.8 Ų | 32.8 | 25% | 0.246 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.4 | -26.4 | 178.6 | -69.1 | 172.6 | 0 | 0 | 0 | 112.9 | T543 V547 Q581 A582 L583 R588 | T543-L585 HydrophobicContact CG2-CD1 4.13Å; V547-L585 HydrophobicContact CG2-CB 3.87Å; V547-L585 HydrophobicContact CG2-CD1 4.14Å; V547-L585 HydrophobicContact CG2-CG 4.41Å; Q581-L585 HydrophobicContact CG-CD1 4.48Å; Q581-L585 WeakPolarHBondContact O-CG 3.4Å; Q581-L585 PolarHBondContact O-N 3.21Å; A582-L585 PolarHBondContact O-N 3.11Å; A582-L585 VanDerWaalsContact O-N 3.17Å; L583-L585 VanDerWaalsContact C-N 3.34Å; L583-L585 PolarHBondContact O-N 3.3Å; L585-R588 WeakPolarHBondContact O-CG 3.25Å; L585-R588 PolarHBondContact O-NE 2.88Å; L585-R588 VanDerWaalsContact O-NE 3.16Å |
| 586 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -83.5 | -17.4 | -178.3 | -72.8 | 175.1 | 0 | 0 | 0 | 114.3 | L546 A550 L559 I560 L563 A582 L583 Q584 R588 F589 F594 | L546-L586 HydrophobicContact CD1-CD1 4.23Å; L546-L586 HydrophobicContact CD1-CD2 4.21Å; L546-L586 HydrophobicContact CD2-CD1 4.12Å; L546-L586 HydrophobicContact CD2-CD2 4.34Å; L546-L586 HydrophobicContact CD2-CG 4.02Å; L546-L586 HydrophobicContact CG-CD1 4.47Å; L546-L586 HydrophobicContact CG-CD2 4.08Å; L546-L586 HydrophobicContact CG-CG 4.3Å; A550-L586 HydrophobicContact CB-CD2 3.36Å; L559-L586 HydrophobicContact CB-CD1 4.45Å; I560-L586 HydrophobicContact CG1-CB 4.42Å; I560-L586 HydrophobicContact CG1-CD1 3.87Å; L563-L586 HydrophobicContact CD1-CD1 3.47Å; L563-L586 VanDerWaalsContact CD1-CD1 3.47Å; A582-L586 WeakPolarHBondContact O-CB 3.38Å; A582-L586 VanDerWaalsContact O-CG 3.28Å; A582-L586 WeakPolarHBondContact O-CG 3.23Å; A582-L586 PolarHBondContact O-N 2.81Å; L583-L586 PolarHBondContact O-N 3.05Å; L583-L586 VanDerWaalsContact O-N 3.16Å; Q584-L586 VanDerWaalsContact C-N 3.26Å; Q584-L586 PolarHBondContact O-N 3.35Å; L586-R588 PolarHBondContact O-N 3.09Å; L586-F589 HydrophobicContact CD2-CD2 3.92Å; L586-F589 HydrophobicContact CD2-CE2 4.21Å; L586-F589 PolarHBondContact O-N 2.84Å; L586-F594 HydrophobicContact CB-CE2 3.98Å; L586-F594 HydrophobicContact CB-CZ 3.73Å; L586-F594 WeakPolarHBondContact O-CE2 3.42Å |
| 587 | V | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -37.2 | -178.8 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | L583 F589 R591 F594 V624 A627 L628 Q631 | L583-V587 WeakPolarHBondContact O-CG2 3.38Å; L583-V587 PolarHBondContact O-N 3.21Å; V587-F589 PolarHBondContact O-N 3.49Å; V587-R591 HydrophobicContact CG1-CG 4.35Å; V587-R591 WeakPolarHBondContact O-CG 3.1Å; V587-R591 PolarHBondContact O-N 2.74Å; V587-F594 HydrophobicContact CB-CD2 4.47Å; V587-F594 HydrophobicContact CB-CG 4.49Å; V587-F594 HydrophobicContact CG2-CD1 3.79Å; V587-F594 HydrophobicContact CG2-CD2 4.41Å; V587-F594 HydrophobicContact CG2-CE1 3.82Å; V587-F594 HydrophobicContact CG2-CE2 4.45Å; V587-F594 HydrophobicContact CG2-CG 4.1Å; V587-F594 HydrophobicContact CG2-CZ 4.16Å; V587-V624 HydrophobicContact CG2-CG1 4.22Å; V587-V624 HydrophobicContact CG2-CG2 4.43Å; V587-A627 HydrophobicContact CB-CB 3.9Å; V587-A627 HydrophobicContact CG1-CB 4.25Å; V587-A627 HydrophobicContact CG2-CB 3.7Å; V587-L628 HydrophobicContact CG1-CD2 3.6Å; V587-L628 HydrophobicContact CG1-CG 4.06Å; V587-Q631 VanDerWaalsContact C-OE1 3.29Å |
| 588 | R | 96.1 | Very high | 97.6 | Very high | 120 Ų | 120 | 38 Ų | 38 | 45% | 0.453 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.5 | -177.8 | 56.5 | -179.3 | 154.9 | -179.5 | -5.1 | 114.5 | L585 L586 | L585-R588 WeakPolarHBondContact O-CG 3.25Å; L585-R588 PolarHBondContact O-NE 2.88Å; L585-R588 VanDerWaalsContact O-NE 3.16Å; L586-R588 PolarHBondContact O-N 3.09Å |
| 589 | F | 97 | Very high | 97.6 | Very high | 62 Ų | 62 | 37.3 Ų | 37.3 | 27% | 0.272 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -31.2 | -174.6 | -58.7 | -75.9 | 0 | 0 | 0 | 112.9 | V547 A550 E551 T556 L586 V587 | V547-F589 HydrophobicContact CG1-CZ 4.09Å; V547-F589 WeakPolarHBondContact O-CZ 3.14Å; A550-F589 HydrophobicContact CB-CD1 4.46Å; A550-F589 HydrophobicContact CB-CD2 3.68Å; A550-F589 HydrophobicContact CB-CE1 4.4Å; A550-F589 HydrophobicContact CB-CE2 3.61Å; A550-F589 HydrophobicContact CB-CG 4.13Å; A550-F589 HydrophobicContact CB-CZ 3.98Å; A550-F589 WeakPolarHBondContact O-CD1 3.42Å; E551-F589 HydrophobicContact CG-CE1 3.85Å; E551-F589 HydrophobicContact CG-CZ 4.28Å; T556-F589 HydrophobicContact CG2-CB 3.6Å; T556-F589 HydrophobicContact CG2-CG 4.46Å; L586-F589 HydrophobicContact CD2-CD2 3.92Å; L586-F589 HydrophobicContact CD2-CE2 4.21Å; L586-F589 PolarHBondContact O-N 2.84Å; V587-F589 PolarHBondContact O-N 3.49Å |
| 590 | D | 96.6 | Very high | 97.5 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | trans | -147.5 | 68.5 | 176.5 | -163.5 | -18.8 | 0 | 0 | 0 | 112.5 | R557 F592 H593 F594 | R557-D590 IonicContact CZ-OD2 3.55Å; R557-D590 IonicContact NE-OD2 2.74Å; R557-D590 PolarHBondContact NE-OD2 3.36Å; R557-D590 VanDerWaalsContact NE-OD2 3.09Å; R557-D590 IonicContact NH2-OD2 3.28Å; R557-D590 PolarHBondContact NH2-OD2 3.29Å; R557-D590 VanDerWaalsContact NH2-OD2 3.17Å; D590-F592 PolarHBondContact O-N 2.97Å; D590-H593 HydrophobicContact CB-CB 3.96Å; D590-H593 PolarHBondContact O-N 3.07Å; D590-H593 VanDerWaalsContact O-N 3.09Å; D590-H593 VanDerWaalsContact OD1-CB 3.27Å; D590-H593 WeakPolarHBondContact OD1-CB 3.5Å; D590-H593 PolarHBondContact OD1-N 3.2Å; D590-H593 WeakPolarHBondContact OD2-CB 3.45Å; D590-F594 WeakPolarHBondContact O-CD2 3.46Å; D590-F594 PolarHBondContact O-N 3.25Å | ||
| 591 | R | 96.3 | Very high | 97.5 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -53.8 | -37 | -178.5 | -67.3 | 171.8 | -76.1 | -163.6 | -8.1 | 113.7 | V587 F594 L595 L639 | V587-R591 HydrophobicContact CG1-CG 4.35Å; V587-R591 WeakPolarHBondContact O-CG 3.1Å; V587-R591 PolarHBondContact O-N 2.74Å; R591-F594 PolarHBondContact O-N 2.96Å; R591-L595 WeakPolarHBondContact O-CG 3.31Å; R591-L595 PolarHBondContact O-N 3.31Å; R591-L595 VanDerWaalsContact O-N 3.07Å; R591-L639 HydrophobicContact CB-CD1 3.93Å; R591-L639 HydrophobicContact CB-CD2 4.37Å |
| 592 | F | 96 | Very high | 97.5 | Very high | 80 Ų | 80 | 40 Ų | 40 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.9 | -45 | 177.8 | -81.4 | -69.2 | 0 | 0 | 0 | 111.5 | D590 F594 L595 L596 Q638 L639 | D590-F592 PolarHBondContact O-N 2.97Å; F592-F594 VanDerWaalsContact C-N 3.27Å; F592-F594 PolarHBondContact O-N 3.39Å; F592-L595 PolarHBondContact O-N 3.21Å; F592-L596 HydrophobicContact CD1-CD1 4.45Å; F592-L596 VanDerWaalsContact O-CB 3.29Å; F592-L596 WeakPolarHBondContact O-CB 3.46Å; F592-L596 VanDerWaalsContact O-CG 3.31Å; F592-L596 WeakPolarHBondContact O-CG 3.34Å; F592-L596 PolarHBondContact O-N 2.76Å; F592-Q638 HydrophobicContact CE1-CB 4.34Å; F592-Q638 HydrophobicContact CE1-CG 4.02Å; F592-Q638 HydrophobicContact CZ-CB 4.04Å; F592-Q638 HydrophobicContact CZ-CG 4.18Å; F592-L639 HydrophobicContact CD1-CD1 4.31Å; F592-L639 HydrophobicContact CE1-CB 4.17Å; F592-L639 HydrophobicContact CE1-CD1 4.16Å; F592-L639 HydrophobicContact CE2-CB 4.16Å; F592-L639 HydrophobicContact CE2-CD1 4.41Å; F592-L639 HydrophobicContact CZ-CB 3.66Å; F592-L639 HydrophobicContact CZ-CD1 4.22Å |
| 593 | H | 97.5 | Very high | 97.4 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 176.2 | -172.4 | 63.9 | 0 | 0 | 0 | 111.8 | D590 V597 V598 | D590-H593 HydrophobicContact CB-CB 3.96Å; D590-H593 PolarHBondContact O-N 3.07Å; D590-H593 VanDerWaalsContact O-N 3.09Å; D590-H593 VanDerWaalsContact OD1-CB 3.27Å; D590-H593 WeakPolarHBondContact OD1-CB 3.5Å; D590-H593 PolarHBondContact OD1-N 3.2Å; D590-H593 WeakPolarHBondContact OD2-CB 3.45Å; H593-V597 WeakPolarHBondContact ND1-CG2 3.05Å; H593-V597 WeakPolarHBondContact O-CA 3.29Å; H593-V597 WeakPolarHBondContact O-CB 3.45Å; H593-V597 PolarHBondContact O-N 3.12Å; H593-V598 PolarHBondContact O-N 3.16Å; H593-V598 VanDerWaalsContact O-N 3.08Å |
| 594 | F | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -61.8 | -47.2 | 174.2 | -87.7 | -90.1 | 0 | 0 | 0 | 113.1 | I560 L583 L586 V587 D590 R591 F592 V598 V599 V624 L628 | I560-F594 HydrophobicContact CD1-CD2 4.42Å; I560-F594 HydrophobicContact CD1-CE2 3.64Å; I560-F594 HydrophobicContact CD1-CZ 4.27Å; I560-F594 HydrophobicContact CG1-CE2 4.16Å; I560-F594 HydrophobicContact CG1-CZ 4.29Å; L583-F594 HydrophobicContact CB-CE1 4.19Å; L583-F594 HydrophobicContact CD2-CE1 4.04Å; L583-F594 HydrophobicContact CD2-CZ 4.1Å; L583-F594 WeakPolarHBondContact O-CE1 3.49Å; L583-F594 VanDerWaalsContact O-CZ 3.28Å; L583-F594 WeakPolarHBondContact O-CZ 3.36Å; L586-F594 HydrophobicContact CB-CE2 3.98Å; L586-F594 HydrophobicContact CB-CZ 3.73Å; L586-F594 WeakPolarHBondContact O-CE2 3.42Å; V587-F594 HydrophobicContact CB-CD2 4.47Å; V587-F594 HydrophobicContact CB-CG 4.49Å; V587-F594 HydrophobicContact CG2-CD1 3.79Å; V587-F594 HydrophobicContact CG2-CD2 4.41Å; V587-F594 HydrophobicContact CG2-CE1 3.82Å; V587-F594 HydrophobicContact CG2-CE2 4.45Å; V587-F594 HydrophobicContact CG2-CG 4.1Å; V587-F594 HydrophobicContact CG2-CZ 4.16Å; D590-F594 WeakPolarHBondContact O-CD2 3.46Å; D590-F594 PolarHBondContact O-N 3.25Å; R591-F594 PolarHBondContact O-N 2.96Å; F592-F594 VanDerWaalsContact C-N 3.27Å; F592-F594 PolarHBondContact O-N 3.39Å; F594-V598 HydrophobicContact CB-CB 4.5Å; F594-V598 HydrophobicContact CB-CG2 4.43Å; F594-V598 HydrophobicContact CD1-CB 3.8Å; F594-V598 HydrophobicContact CD1-CG1 3.72Å; F594-V598 HydrophobicContact CD1-CG2 3.84Å; F594-V598 HydrophobicContact CD2-CG2 4.38Å; F594-V598 HydrophobicContact CE1-CB 4.29Å; F594-V598 HydrophobicContact CE1-CG1 3.82Å; F594-V598 HydrophobicContact CE1-CG2 4.13Å; F594-V598 HydrophobicContact CG-CB 4.27Å; F594-V598 HydrophobicContact CG-CG2 3.98Å; F594-V598 PolarHBondContact O-N 3.17Å; F594-V599 WeakPolarHBondContact O-CG2 3.31Å; F594-V599 PolarHBondContact O-N 3.22Å; F594-V624 HydrophobicContact CD1-CG1 3.93Å; F594-V624 HydrophobicContact CD1-CG2 4.21Å; F594-V624 HydrophobicContact CE1-CG2 4.01Å; F594-L628 HydrophobicContact CB-CD2 4.4Å |
| 595 | L | 97 | Very high | 97.2 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -69.2 | -38.7 | -180 | -71.1 | 166.8 | 0 | 0 | 0 | 112.9 | R591 F592 L628 L639 T642 F643 F646 | R591-L595 WeakPolarHBondContact O-CG 3.31Å; R591-L595 PolarHBondContact O-N 3.31Å; R591-L595 VanDerWaalsContact O-N 3.07Å; F592-L595 PolarHBondContact O-N 3.21Å; L595-L628 HydrophobicContact CD2-CD1 3.94Å; L595-L628 HydrophobicContact CD2-CD2 3.94Å; L595-L628 HydrophobicContact CG-CD2 4Å; L595-L639 HydrophobicContact CD1-CD1 3.73Å; L595-T642 HydrophobicContact CB-CG2 3.79Å; L595-T642 HydrophobicContact CD1-CG2 3.89Å; L595-T642 HydrophobicContact CG-CG2 4.41Å; L595-F643 HydrophobicContact CD1-CB 4.4Å; L595-F643 HydrophobicContact CD2-CD2 4.28Å; L595-F646 HydrophobicContact CD2-CB 3.78Å; L595-F646 HydrophobicContact CD2-CD1 4.31Å; L595-F646 HydrophobicContact CD2-CD2 4.28Å; L595-F646 HydrophobicContact CD2-CG 3.86Å |
| 596 | L | 96.7 | Very high | 97 | Very high | 107 Ų | 107 | 40.8 Ų | 40.8 | 56% | 0.56 | 21% | 0.205 | S | C | * | . | I | π-helix | trans | -95.4 | -21.2 | -170.4 | -62.5 | 176.8 | 0 | 0 | 0 | 114.3 | F592 T642 | F592-L596 HydrophobicContact CD1-CD1 4.45Å; F592-L596 VanDerWaalsContact O-CB 3.29Å; F592-L596 WeakPolarHBondContact O-CB 3.46Å; F592-L596 VanDerWaalsContact O-CG 3.31Å; F592-L596 WeakPolarHBondContact O-CG 3.34Å; F592-L596 PolarHBondContact O-N 2.76Å; L596-T642 HydrophobicContact CD2-CG2 3.73Å; L596-T642 HydrophobicContact CG-CG2 4.24Å |
| 597 | V | 97.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -127.2 | -58 | -174.5 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | H593 P600 E601 | H593-V597 WeakPolarHBondContact ND1-CG2 3.05Å; H593-V597 WeakPolarHBondContact O-CA 3.29Å; H593-V597 WeakPolarHBondContact O-CB 3.45Å; H593-V597 PolarHBondContact O-N 3.12Å; V597-P600 WeakPolarHBondContact O-CD 3.38Å; V597-E601 WeakPolarHBondContact O-CB 3.46Å; V597-E601 PolarHBondContact O-N 3.31Å |
| 598 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -61.9 | -52.9 | -172 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | I560 L564 L583 H593 F594 E601 L602 | I560-V598 HydrophobicContact CG2-CG2 3.66Å; L564-V598 HydrophobicContact CD1-CB 4.35Å; L564-V598 HydrophobicContact CD1-CG1 4.15Å; L564-V598 HydrophobicContact CD1-CG2 4.1Å; L564-V598 HydrophobicContact CD2-CG1 4.03Å; L564-V598 HydrophobicContact CG-CG1 4.47Å; L583-V598 HydrophobicContact CD2-CG1 4.43Å; H593-V598 PolarHBondContact O-N 3.16Å; H593-V598 VanDerWaalsContact O-N 3.08Å; F594-V598 HydrophobicContact CB-CB 4.5Å; F594-V598 HydrophobicContact CB-CG2 4.43Å; F594-V598 HydrophobicContact CD1-CB 3.8Å; F594-V598 HydrophobicContact CD1-CG1 3.72Å; F594-V598 HydrophobicContact CD1-CG2 3.84Å; F594-V598 HydrophobicContact CD2-CG2 4.38Å; F594-V598 HydrophobicContact CE1-CB 4.29Å; F594-V598 HydrophobicContact CE1-CG1 3.82Å; F594-V598 HydrophobicContact CE1-CG2 4.13Å; F594-V598 HydrophobicContact CG-CB 4.27Å; F594-V598 HydrophobicContact CG-CG2 3.98Å; F594-V598 PolarHBondContact O-N 3.17Å; V598-E601 PolarHBondContact O-N 3.5Å; V598-L602 HydrophobicContact CG1-CD1 4.04Å; V598-L602 HydrophobicContact CG1-CG 4.35Å; V598-L602 VanDerWaalsContact O-CG 3.29Å; V598-L602 WeakPolarHBondContact O-CG 3.42Å; V598-L602 PolarHBondContact O-N 3.04Å |
| 599 | V | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | -179.2 | 167.1 | 0 | 0 | 0 | 0 | 112 | F594 E601 L602 L603 L621 V624 L628 F646 V650 | F594-V599 WeakPolarHBondContact O-CG2 3.31Å; F594-V599 PolarHBondContact O-N 3.22Å; V599-E601 VanDerWaalsContact C-N 3.31Å; V599-E601 PolarHBondContact O-N 3.22Å; V599-L602 PolarHBondContact O-N 3.35Å; V599-L603 HydrophobicContact CG1-CD1 4.21Å; V599-L603 WeakPolarHBondContact O-CG 3.43Å; V599-L603 PolarHBondContact O-N 2.93Å; V599-L621 HydrophobicContact CG1-CD2 4.34Å; V599-V624 HydrophobicContact CG2-CG1 4.04Å; V599-L628 HydrophobicContact CG2-CD1 4.13Å; V599-F646 HydrophobicContact CG1-CD2 4.23Å; V599-F646 HydrophobicContact CG1-CE2 3.92Å; V599-F646 HydrophobicContact CG2-CE2 4.49Å; V599-V650 HydrophobicContact CG1-CG1 3.76Å |
| 600 | P | 97.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 41% | 0.409 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.2 | -41.1 | 172.6 | -30.3 | 36.7 | 0 | 0 | 0 | 114.4 | V597 L603 A604 | V597-P600 WeakPolarHBondContact O-CD 3.38Å; P600-L603 PolarHBondContact O-N 2.89Å; P600-A604 PolarHBondContact O-N 3.41Å |
| 601 | E | 97.9 | Very high | 95 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.4 | -42.6 | 179.5 | -166.5 | 176.8 | 157.9 | 0 | 0 | 111.9 | V597 V598 V599 L603 A604 M605 | V597-E601 WeakPolarHBondContact O-CB 3.46Å; V597-E601 PolarHBondContact O-N 3.31Å; V598-E601 PolarHBondContact O-N 3.5Å; V599-E601 VanDerWaalsContact C-N 3.31Å; V599-E601 PolarHBondContact O-N 3.22Å; E601-L603 VanDerWaalsContact C-N 3.31Å; E601-L603 PolarHBondContact O-N 3.38Å; E601-A604 WeakPolarHBondContact O-CB 3.37Å; E601-A604 PolarHBondContact O-N 3.38Å; E601-A604 VanDerWaalsContact O-N 3.11Å; E601-M605 HydrophobicContact CG-CE 4.17Å; E601-M605 WeakPolarHBondContact O-CG 3.37Å; E601-M605 PolarHBondContact O-N 3.06Å |
| 602 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 172.8 | -66.8 | 175.9 | 0 | 0 | 0 | 111.3 | L564 V568 V598 V599 A604 M605 V606 A617 A620 L621 | L564-L602 HydrophobicContact CD2-CD2 3.71Å; L564-L602 HydrophobicContact CD2-CG 4.13Å; V568-L602 HydrophobicContact CG1-CD2 3.94Å; V568-L602 HydrophobicContact CG2-CD2 4.28Å; V598-L602 HydrophobicContact CG1-CD1 4.04Å; V598-L602 HydrophobicContact CG1-CG 4.35Å; V598-L602 VanDerWaalsContact O-CG 3.29Å; V598-L602 WeakPolarHBondContact O-CG 3.42Å; V598-L602 PolarHBondContact O-N 3.04Å; V599-L602 PolarHBondContact O-N 3.35Å; L602-A604 VanDerWaalsContact C-N 3.31Å; L602-A604 PolarHBondContact O-N 3.46Å; L602-M605 HydrophobicContact CD2-SD 4.43Å; L602-M605 WeakPolarHBondContact O-CB 3.36Å; L602-M605 PolarHBondContact O-N 2.91Å; L602-M605 VanDerWaalsContact O-N 3.16Å; L602-V606 WeakPolarHBondContact O-CG2 3.47Å; L602-V606 PolarHBondContact O-N 3.08Å; L602-A617 HydrophobicContact CB-CB 4.46Å; L602-A617 HydrophobicContact CD2-CB 4.28Å; L602-A617 WeakPolarHBondContact O-CB 3.46Å; L602-A620 HydrophobicContact CD1-CB 3.75Å; L602-A620 HydrophobicContact CD2-CB 3.77Å; L602-A620 HydrophobicContact CG-CB 4.43Å; L602-L621 HydrophobicContact CB-CD1 4.49Å; L602-L621 HydrophobicContact CB-CD2 3.93Å; L602-L621 HydrophobicContact CB-CG 3.98Å; L602-L621 HydrophobicContact CD1-CD2 4.08Å; L602-L621 HydrophobicContact CD1-CG 4.2Å |
| 603 | L | 96.9 | Very high | 94.6 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 174.6 | -77.2 | 173.6 | 0 | 0 | 0 | 112.6 | V599 P600 E601 M605 V606 R607 L621 V650 I654 I657 | V599-L603 HydrophobicContact CG1-CD1 4.21Å; V599-L603 WeakPolarHBondContact O-CG 3.43Å; V599-L603 PolarHBondContact O-N 2.93Å; P600-L603 PolarHBondContact O-N 2.89Å; E601-L603 VanDerWaalsContact C-N 3.31Å; E601-L603 PolarHBondContact O-N 3.38Å; L603-M605 VanDerWaalsContact C-N 3.34Å; L603-V606 PolarHBondContact O-N 2.96Å; L603-R607 WeakPolarHBondContact O-CG 3.48Å; L603-R607 PolarHBondContact O-N 3.46Å; L603-L621 HydrophobicContact CD2-CD1 4.15Å; L603-V650 HydrophobicContact CD1-CG1 3.6Å; L603-I654 HydrophobicContact CD2-CG1 3.86Å; L603-I657 HydrophobicContact CD2-CD1 4.24Å |
| 604 | A | 96.2 | Very high | 94.4 | Very high | 57 Ų | 57 | 43.4 Ų | 43.4 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | P600 E601 L602 V606 R607 T608 | P600-A604 PolarHBondContact O-N 3.41Å; E601-A604 WeakPolarHBondContact O-CB 3.37Å; E601-A604 PolarHBondContact O-N 3.38Å; E601-A604 VanDerWaalsContact O-N 3.11Å; L602-A604 VanDerWaalsContact C-N 3.31Å; L602-A604 PolarHBondContact O-N 3.46Å; A604-V606 PolarHBondContact O-N 3.41Å; A604-R607 WeakPolarHBondContact O-CB 3.1Å; A604-R607 PolarHBondContact O-N 2.92Å; A604-R607 VanDerWaalsContact O-N 3.13Å; A604-T608 WeakPolarHBondContact O-CG2 3.31Å; A604-T608 PolarHBondContact O-N 3.3Å |
| 605 | M | 95.4 | Very high | 94.2 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 14% | 0.138 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 176 | -67 | -178.3 | -175.9 | 0 | 0 | 112.7 | L564 V568 E601 L602 L603 R607 T608 A617 | L564-M605 WeakPolarHBondContact O-CE 3.41Å; V568-M605 HydrophobicContact CB-SD 4.4Å; V568-M605 HydrophobicContact CG1-SD 3.75Å; E601-M605 HydrophobicContact CG-CE 4.17Å; E601-M605 WeakPolarHBondContact O-CG 3.37Å; E601-M605 PolarHBondContact O-N 3.06Å; L602-M605 HydrophobicContact CD2-SD 4.43Å; L602-M605 WeakPolarHBondContact O-CB 3.36Å; L602-M605 PolarHBondContact O-N 2.91Å; L602-M605 VanDerWaalsContact O-N 3.16Å; L603-M605 VanDerWaalsContact C-N 3.34Å; M605-R607 PolarHBondContact O-N 2.94Å; M605-T608 WeakPolarHBondContact O-CB 3.35Å; M605-T608 PolarHBondContact O-N 3.03Å; M605-T608 VanDerWaalsContact O-N 3.12Å; M605-T608 PolarHBondContact O-OG1 3.48Å; M605-A617 HydrophobicContact CB-CB 3.72Å |
| 606 | V | 93.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -31.5 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 112 | L602 L603 A604 T608 Q614 A617 I618 L621 I657 | L602-V606 WeakPolarHBondContact O-CG2 3.47Å; L602-V606 PolarHBondContact O-N 3.08Å; L603-V606 PolarHBondContact O-N 2.96Å; A604-V606 PolarHBondContact O-N 3.41Å; V606-T608 VanDerWaalsContact C-N 3.35Å; V606-Q614 WeakPolarHBondContact O-CG 3.39Å; V606-Q614 PolarHBondContact O-NE2 3.47Å; V606-Q614 VanDerWaalsContact O-NE2 3.08Å; V606-A617 HydrophobicContact CG2-CB 3.65Å; V606-I618 HydrophobicContact CG2-CG1 4.04Å; V606-L621 HydrophobicContact CG2-CD1 3.93Å; V606-I657 HydrophobicContact CG1-CD1 4.14Å; V606-I657 HydrophobicContact CG1-CG1 4.11Å; V606-I657 HydrophobicContact CG1-CG2 3.76Å; V606-I657 HydrophobicContact CG2-CD1 4.39Å |
| 607 | R | 91.1 | Very high | 94.3 | Very high | 140 Ų | 140 | 37.8 Ų | 37.8 | 53% | 0.528 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -80 | -13.8 | -179.9 | -68.3 | 174.8 | -173 | -90.7 | -3.1 | 114 | L603 A604 M605 | L603-R607 WeakPolarHBondContact O-CG 3.48Å; L603-R607 PolarHBondContact O-N 3.46Å; A604-R607 WeakPolarHBondContact O-CB 3.1Å; A604-R607 PolarHBondContact O-N 2.92Å; A604-R607 VanDerWaalsContact O-N 3.13Å; M605-R607 PolarHBondContact O-N 2.94Å |
| 608 | T | 89.7 | Confident | 94.2 | Very high | 59 Ų | 59 | 35 Ų | 35 | 36% | 0.362 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -68.1 | 165.8 | 176.6 | 71.1 | 0 | 0 | 0 | 0 | 111.7 | A604 M605 V606 D610 Q614 | A604-T608 WeakPolarHBondContact O-CG2 3.31Å; A604-T608 PolarHBondContact O-N 3.3Å; M605-T608 WeakPolarHBondContact O-CB 3.35Å; M605-T608 PolarHBondContact O-N 3.03Å; M605-T608 VanDerWaalsContact O-N 3.12Å; M605-T608 PolarHBondContact O-OG1 3.48Å; V606-T608 VanDerWaalsContact C-N 3.35Å; T608-D610 VanDerWaalsContact C-N 3.29Å; T608-D610 PolarHBondContact OG1-N 3.09Å; T608-Q614 PolarHBondContact O-NE2 2.86Å |
| 609 | A | 86.1 | Confident | 94.2 | Very high | 96 Ų | 96 | 35.7 Ų | 35.7 | 79% | 0.793 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -82.8 | -6.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T611 | A609-T611 PolarHBondContact O-N 3.42Š|
| 610 | D | 88.5 | Confident | 94.2 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 40% | 0.401 | 21% | 0.205 | S | C | . | . | trans | -80 | 108.2 | -177.8 | 178.5 | 4.5 | 0 | 0 | 0 | 110.7 | T608 I612 A613 Q614 | T608-D610 VanDerWaalsContact C-N 3.29Å; T608-D610 PolarHBondContact OG1-N 3.09Å; D610-I612 PolarHBondContact O-N 3.32Å; D610-I612 WeakPolarHBondContact OD1-CB 3.32Å; D610-I612 PolarHBondContact OD1-N 3.48Å; D610-A613 HydrophobicContact CB-CB 3.92Å; D610-A613 PolarHBondContact O-N 2.89Å; D610-Q614 VanDerWaalsContact O-CG 3.26Å; D610-Q614 WeakPolarHBondContact O-CG 3.42Å; D610-Q614 PolarHBondContact O-N 3.36Å | ||
| 611 | T | 89 | Confident | 94.2 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 17% | 0.166 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -30.4 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 113.1 | A609 H615 R671 L675 | A609-T611 PolarHBondContact O-N 3.42Å; T611-H615 WeakPolarHBondContact O-CB 3.49Å; T611-H615 PolarHBondContact O-N 2.84Å; T611-R671 HydrophobicContact CG2-CB 4.33Å; T611-R671 HydrophobicContact CG2-CG 4.26Å; T611-R671 WeakPolarHBondContact OG1-CD 3.42Å; T611-L675 HydrophobicContact CG2-CD1 4.06Å; T611-L675 HydrophobicContact CG2-CD2 4.15Å; T611-L675 HydrophobicContact CG2-CG 4.09Å |
| 612 | I | 91.2 | Very high | 94 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 30% | 0.297 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.3 | -47.1 | 178.3 | -63.2 | 175.9 | 0 | 0 | 0 | 109.5 | S569 H570 R576 D610 H615 G616 | S569-I612 VanDerWaalsContact O-CG2 3.25Å; S569-I612 WeakPolarHBondContact O-CG2 3.4Å; H570-I612 VanDerWaalsContact O-CG2 3.24Å; H570-I612 WeakPolarHBondContact O-CG2 3.35Å; R576-I612 WeakPolarHBondContact CD-O 3.35Å; D610-I612 PolarHBondContact O-N 3.32Å; D610-I612 WeakPolarHBondContact OD1-CB 3.32Å; D610-I612 PolarHBondContact OD1-N 3.48Å; I612-H615 PolarHBondContact O-N 3.23Å; I612-G616 PolarHBondContact O-N 3.06Å |
| 613 | A | 93.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 5% | 0.05 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D610 H615 G616 A617 | D610-A613 HydrophobicContact CB-CB 3.92Å; D610-A613 PolarHBondContact O-N 2.89Å; A613-H615 PolarHBondContact O-N 3.46Å; A613-G616 PolarHBondContact O-N 3.35Å; A613-A617 WeakPolarHBondContact O-CB 3.28Å; A613-A617 PolarHBondContact O-N 3.28Å |
| 614 | Q | 93.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.6 | -51 | 175.3 | -73 | 179.9 | -44 | 0 | 0 | 111.7 | V606 T608 D610 A617 I618 L675 | V606-Q614 WeakPolarHBondContact O-CG 3.39Å; V606-Q614 PolarHBondContact O-NE2 3.47Å; V606-Q614 VanDerWaalsContact O-NE2 3.08Å; T608-Q614 PolarHBondContact O-NE2 2.86Å; D610-Q614 VanDerWaalsContact O-CG 3.26Å; D610-Q614 WeakPolarHBondContact O-CG 3.42Å; D610-Q614 PolarHBondContact O-N 3.36Å; Q614-A617 PolarHBondContact O-N 2.8Å; Q614-I618 WeakPolarHBondContact O-CD1 3.4Å; Q614-I618 VanDerWaalsContact O-CG1 3.23Å; Q614-I618 WeakPolarHBondContact O-CG1 3.08Å; Q614-I618 PolarHBondContact O-N 3.37Å; Q614-L675 HydrophobicContact CB-CD2 4.13Å |
| 615 | H | 94 | Very high | 93.7 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.1 | -52.8 | 179.7 | 174.9 | -98.7 | 0 | 0 | 0 | 112.3 | R576 T611 I612 A613 A617 I618 L619 M674 L675 | R576-H615 PolarHBondContact NE-ND1 3.47Å; R576-H615 PolarHBondContact NH2-ND1 3.24Å; T611-H615 WeakPolarHBondContact O-CB 3.49Å; T611-H615 PolarHBondContact O-N 2.84Å; I612-H615 PolarHBondContact O-N 3.23Å; A613-H615 PolarHBondContact O-N 3.46Å; H615-A617 VanDerWaalsContact C-N 3.28Å; H615-A617 PolarHBondContact O-N 2.86Å; H615-I618 PolarHBondContact O-N 2.95Å; H615-L619 WeakPolarHBondContact CE1-CD1 2.99Å; H615-L619 PolarHBondContact O-N 3.39Å; H615-L619 VanDerWaalsContact O-N 3.08Å; H615-M674 HydrophobicContact CB-CG 3.85Å; H615-M674 HydrophobicContact CB-SD 3.76Å; H615-M674 WeakPolarHBondContact CD2-CG 3.23Å; H615-M674 PolarHBondContact CD2-O 3.47Å; H615-L675 HydrophobicContact CB-CD2 4.26Å |
| 616 | G | 96.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V568 I612 A613 L619 A620 | V568-G616 WeakPolarHBondContact O-CA 3.41Å; I612-G616 PolarHBondContact O-N 3.06Å; A613-G616 PolarHBondContact O-N 3.35Å; G616-L619 PolarHBondContact O-N 3.04Å; G616-A620 VanDerWaalsContact O-CB 3.3Å; G616-A620 WeakPolarHBondContact O-CB 3.4Å; G616-A620 PolarHBondContact O-N 3.32Å |
| 617 | A | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -39 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V568 L602 M605 V606 A613 Q614 H615 A620 L621 | V568-A617 HydrophobicContact CG1-CB 4.39Å; L602-A617 HydrophobicContact CB-CB 4.46Å; L602-A617 HydrophobicContact CD2-CB 4.28Å; L602-A617 WeakPolarHBondContact O-CB 3.46Å; M605-A617 HydrophobicContact CB-CB 3.72Å; V606-A617 HydrophobicContact CG2-CB 3.65Å; A613-A617 WeakPolarHBondContact O-CB 3.28Å; A613-A617 PolarHBondContact O-N 3.28Å; Q614-A617 PolarHBondContact O-N 2.8Å; H615-A617 VanDerWaalsContact C-N 3.28Å; H615-A617 PolarHBondContact O-N 2.86Å; A617-A620 PolarHBondContact O-N 3.43Å; A617-L621 WeakPolarHBondContact O-CB 3.49Å; A617-L621 VanDerWaalsContact O-CG 3.23Å; A617-L621 WeakPolarHBondContact O-CG 3.3Å; A617-L621 PolarHBondContact O-N 3.01Å |
| 618 | I | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 175.6 | -67 | 164.1 | 0 | 0 | 0 | 110.8 | V606 Q614 H615 A620 L621 A622 I657 M661 L675 A678 I679 L682 | V606-I618 HydrophobicContact CG2-CG1 4.04Å; Q614-I618 WeakPolarHBondContact O-CD1 3.4Å; Q614-I618 VanDerWaalsContact O-CG1 3.23Å; Q614-I618 WeakPolarHBondContact O-CG1 3.08Å; Q614-I618 PolarHBondContact O-N 3.37Å; H615-I618 PolarHBondContact O-N 2.95Å; I618-A620 PolarHBondContact O-N 3.17Å; I618-L621 PolarHBondContact O-N 3.38Å; I618-A622 WeakPolarHBondContact O-CB 3.24Å; I618-A622 PolarHBondContact O-N 3.12Å; I618-I657 HydrophobicContact CD1-CG2 4.31Å; I618-I657 HydrophobicContact CG1-CG2 4.36Å; I618-M661 HydrophobicContact CD1-CE 4.21Å; I618-M661 HydrophobicContact CD1-SD 3.8Å; I618-L675 HydrophobicContact CD1-CD2 4.38Å; I618-A678 HydrophobicContact CB-CB 4.08Å; I618-A678 HydrophobicContact CG2-CB 3.7Å; I618-A678 WeakPolarHBondContact CG2-O 3.38Å; I618-I679 HydrophobicContact CD1-CG1 4.33Å; I618-I679 HydrophobicContact CG2-CG1 4.44Å; I618-L682 HydrophobicContact CG2-CB 4.12Å; I618-L682 HydrophobicContact CG2-CD2 4.25Å |
| 619 | L | 96.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 16.8 Ų | 16.8 | 8% | 0.079 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 175.1 | -69.6 | -176.8 | 0 | 0 | 0 | 111.5 | A580 H615 G616 L621 A622 S623 A678 | A580-L619 HydrophobicContact CB-CB 3.87Å; H615-L619 WeakPolarHBondContact CE1-CD1 2.99Å; H615-L619 PolarHBondContact O-N 3.39Å; H615-L619 VanDerWaalsContact O-N 3.08Å; G616-L619 PolarHBondContact O-N 3.04Å; L619-L621 PolarHBondContact O-N 2.74Å; L619-A622 WeakPolarHBondContact O-CB 3.34Å; L619-A622 PolarHBondContact O-N 2.74Å; L619-S623 PolarHBondContact O-N 2.97Å; L619-S623 PolarHBondContact O-OG 3.09Å; L619-A678 HydrophobicContact CD2-CB 3.75Å; L619-A678 HydrophobicContact CG-CB 4.03Å |
| 620 | A | 98 | Very high | 94 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A580 L583 L602 G616 A617 I618 S623 V624 | A580-A620 HydrophobicContact CB-CB 4.31Å; L583-A620 HydrophobicContact CD1-CB 3.83Å; L602-A620 HydrophobicContact CD1-CB 3.75Å; L602-A620 HydrophobicContact CD2-CB 3.77Å; L602-A620 HydrophobicContact CG-CB 4.43Å; G616-A620 VanDerWaalsContact O-CB 3.3Å; G616-A620 WeakPolarHBondContact O-CB 3.4Å; G616-A620 PolarHBondContact O-N 3.32Å; A617-A620 PolarHBondContact O-N 3.43Å; I618-A620 PolarHBondContact O-N 3.17Å; A620-S623 PolarHBondContact O-N 3.12Å; A620-V624 VanDerWaalsContact O-CB 3.22Å; A620-V624 WeakPolarHBondContact O-CB 3.5Å; A620-V624 WeakPolarHBondContact O-CG2 3.21Å; A620-V624 PolarHBondContact O-N 3.28Å |
| 621 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.4 | -48.9 | 173.7 | -75.1 | 169.1 | 0 | 0 | 0 | 110.9 | V599 L602 L603 V606 A617 I618 L619 S623 V624 I625 I654 I657 L682 | V599-L621 HydrophobicContact CG1-CD2 4.34Å; L602-L621 HydrophobicContact CB-CD1 4.49Å; L602-L621 HydrophobicContact CB-CD2 3.93Å; L602-L621 HydrophobicContact CB-CG 3.98Å; L602-L621 HydrophobicContact CD1-CD2 4.08Å; L602-L621 HydrophobicContact CD1-CG 4.2Å; L603-L621 HydrophobicContact CD2-CD1 4.15Å; V606-L621 HydrophobicContact CG2-CD1 3.93Å; A617-L621 WeakPolarHBondContact O-CB 3.49Å; A617-L621 VanDerWaalsContact O-CG 3.23Å; A617-L621 WeakPolarHBondContact O-CG 3.3Å; A617-L621 PolarHBondContact O-N 3.01Å; I618-L621 PolarHBondContact O-N 3.38Å; L619-L621 PolarHBondContact O-N 2.74Å; L621-S623 VanDerWaalsContact C-N 3.31Å; L621-S623 PolarHBondContact O-N 3.3Å; L621-V624 PolarHBondContact O-N 2.68Å; L621-I625 HydrophobicContact CB-CD1 4.34Å; L621-I625 WeakPolarHBondContact O-CB 3.21Å; L621-I625 WeakPolarHBondContact O-CD1 3.35Å; L621-I625 WeakPolarHBondContact O-CG1 3.45Å; L621-I625 PolarHBondContact O-N 3.11Å; L621-I654 HydrophobicContact CD2-CD1 4.09Å; L621-I654 HydrophobicContact CD2-CG1 4.49Å; L621-I657 HydrophobicContact CD1-CD1 3.8Å; L621-L682 HydrophobicContact CB-CD1 4.47Å |
| 622 | A | 94.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.008 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -54 | -47.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | I618 L619 V626 L682 | I618-A622 WeakPolarHBondContact O-CB 3.24Å; I618-A622 PolarHBondContact O-N 3.12Å; L619-A622 WeakPolarHBondContact O-CB 3.34Å; L619-A622 PolarHBondContact O-N 2.74Å; A622-V626 WeakPolarHBondContact O-CG2 3.3Å; A622-L682 HydrophobicContact CB-CB 4.1Å; A622-L682 HydrophobicContact CB-CD1 3.97Å |
| 623 | S | 95.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 18.4 Ų | 18.4 | 15% | 0.154 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.1 | -42 | -179.4 | -48.3 | 0 | 0 | 0 | 0 | 113.1 | A580 Q584 L619 A620 L621 V626 A627 | A580-S623 WeakPolarHBondContact O-CB 3.41Å; Q584-S623 VanDerWaalsContact CG-O 3.28Å; Q584-S623 WeakPolarHBondContact CG-O 3.44Å; Q584-S623 PolarHBondContact NE2-O 3.43Å; L619-S623 PolarHBondContact O-N 2.97Å; L619-S623 PolarHBondContact O-OG 3.09Å; A620-S623 PolarHBondContact O-N 3.12Å; L621-S623 VanDerWaalsContact C-N 3.31Å; L621-S623 PolarHBondContact O-N 3.3Å; S623-V626 PolarHBondContact O-N 2.84Å; S623-A627 PolarHBondContact O-N 3.32Å |
| 624 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | -179.3 | 167 | 0 | 0 | 0 | 0 | 111.6 | L583 V587 F594 V599 A620 L621 V626 A627 L628 | L583-V624 HydrophobicContact CB-CG2 3.84Å; V587-V624 HydrophobicContact CG2-CG1 4.22Å; V587-V624 HydrophobicContact CG2-CG2 4.43Å; F594-V624 HydrophobicContact CD1-CG1 3.93Å; F594-V624 HydrophobicContact CD1-CG2 4.21Å; F594-V624 HydrophobicContact CE1-CG2 4.01Å; V599-V624 HydrophobicContact CG2-CG1 4.04Å; A620-V624 VanDerWaalsContact O-CB 3.22Å; A620-V624 WeakPolarHBondContact O-CB 3.5Å; A620-V624 WeakPolarHBondContact O-CG2 3.21Å; A620-V624 PolarHBondContact O-N 3.28Å; L621-V624 PolarHBondContact O-N 2.68Å; V624-V626 PolarHBondContact O-N 3.14Å; V624-A627 PolarHBondContact O-N 3.36Å; V624-L628 HydrophobicContact CG1-CD1 3.74Å; V624-L628 HydrophobicContact CG1-CG 4.08Å; V624-L628 WeakPolarHBondContact O-CG 3.43Å; V624-L628 PolarHBondContact O-N 3.2Å |
| 625 | I | 93.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 178.6 | -70.6 | 162.4 | 0 | 0 | 0 | 110.5 | L621 A627 L628 F629 F646 L651 I654 L682 I686 | L621-I625 HydrophobicContact CB-CD1 4.34Å; L621-I625 WeakPolarHBondContact O-CB 3.21Å; L621-I625 WeakPolarHBondContact O-CD1 3.35Å; L621-I625 WeakPolarHBondContact O-CG1 3.45Å; L621-I625 PolarHBondContact O-N 3.11Å; I625-A627 VanDerWaalsContact C-N 3.27Å; I625-A627 PolarHBondContact O-N 3.49Å; I625-L628 PolarHBondContact O-N 2.83Å; I625-L628 VanDerWaalsContact O-N 3.1Å; I625-F629 HydrophobicContact CG2-CD2 3.65Å; I625-F629 HydrophobicContact CG2-CE2 3.68Å; I625-F629 WeakPolarHBondContact O-CD2 3.45Å; I625-F629 PolarHBondContact O-N 3.47Å; I625-F646 HydrophobicContact CG1-CZ 4.21Å; I625-L651 HydrophobicContact CG2-CD1 4.49Å; I625-I654 HydrophobicContact CD1-CD1 3.95Å; I625-I654 HydrophobicContact CD1-CG2 3.7Å; I625-I654 HydrophobicContact CG1-CD1 4.38Å; I625-L682 HydrophobicContact CD1-CD1 3.91Å; I625-I686 HydrophobicContact CD1-CD1 4.48Å |
| 626 | V | 91.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.8 | -43.9 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | A622 S623 V624 K630 N685 E689 | A622-V626 WeakPolarHBondContact O-CG2 3.3Å; S623-V626 PolarHBondContact O-N 2.84Å; V624-V626 PolarHBondContact O-N 3.14Å; V626-K630 HydrophobicContact CG1-CD 4.09Å; V626-K630 VanDerWaalsContact CG1-NZ 3.26Å; V626-K630 WeakPolarHBondContact O-CG 3.39Å; V626-K630 PolarHBondContact O-N 3.16Å; V626-K630 VanDerWaalsContact O-N 3.14Å; V626-N685 HydrophobicContact CG2-CB 3.6Å; V626-E689 WeakPolarHBondContact CG1-OE1 3.43Å; V626-E689 HydrophobicContact CG2-CG 4.28Å |
| 627 | A | 94 | Very high | 91.9 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 5% | 0.05 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q584 V587 S623 V624 I625 K630 Q631 | Q584-A627 HydrophobicContact CG-CB 3.76Å; Q584-A627 WeakPolarHBondContact O-CB 3.21Å; V587-A627 HydrophobicContact CB-CB 3.9Å; V587-A627 HydrophobicContact CG1-CB 4.25Å; V587-A627 HydrophobicContact CG2-CB 3.7Å; S623-A627 PolarHBondContact O-N 3.32Å; V624-A627 PolarHBondContact O-N 3.36Å; I625-A627 VanDerWaalsContact C-N 3.27Å; I625-A627 PolarHBondContact O-N 3.49Å; A627-K630 PolarHBondContact O-N 2.75Å; A627-Q631 VanDerWaalsContact O-CB 3.27Å; A627-Q631 WeakPolarHBondContact O-CB 3.27Å; A627-Q631 VanDerWaalsContact O-CG 3.24Å; A627-Q631 WeakPolarHBondContact O-CG 3.4Å; A627-Q631 PolarHBondContact O-N 3.31Å |
| 628 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 177 | -74.8 | 172.2 | 0 | 0 | 0 | 111.5 | V587 F594 L595 V599 V624 I625 Q631 C632 F643 F646 | V587-L628 HydrophobicContact CG1-CD2 3.6Å; V587-L628 HydrophobicContact CG1-CG 4.06Å; F594-L628 HydrophobicContact CB-CD2 4.4Å; L595-L628 HydrophobicContact CD2-CD1 3.94Å; L595-L628 HydrophobicContact CD2-CD2 3.94Å; L595-L628 HydrophobicContact CG-CD2 4Å; V599-L628 HydrophobicContact CG2-CD1 4.13Å; V624-L628 HydrophobicContact CG1-CD1 3.74Å; V624-L628 HydrophobicContact CG1-CG 4.08Å; V624-L628 WeakPolarHBondContact O-CG 3.43Å; V624-L628 PolarHBondContact O-N 3.2Å; I625-L628 PolarHBondContact O-N 2.83Å; I625-L628 VanDerWaalsContact O-N 3.1Å; L628-Q631 PolarHBondContact O-N 3.02Å; L628-C632 WeakPolarHBondContact O-CB 3.46Å; L628-C632 PolarHBondContact O-N 2.94Å; L628-C632 PolarHBondContact O-SG 3.08Å; L628-C632 VanDerWaalsContact O-SG 3.34Å; L628-F643 HydrophobicContact CB-CE2 4.14Å; L628-F646 HydrophobicContact CD1-CE1 4.48Å; L628-F646 HydrophobicContact CD1-CZ 4.36Å |
| 629 | F | 91.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 10% | 0.101 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 175.6 | -88.6 | -86.6 | 0 | 0 | 0 | 111.4 | I625 Q631 E633 F643 F646 Q647 L651 | I625-F629 HydrophobicContact CG2-CD2 3.65Å; I625-F629 HydrophobicContact CG2-CE2 3.68Å; I625-F629 WeakPolarHBondContact O-CD2 3.45Å; I625-F629 PolarHBondContact O-N 3.47Å; F629-Q631 VanDerWaalsContact C-N 3.28Å; F629-Q631 PolarHBondContact O-N 2.66Å; F629-E633 VanDerWaalsContact O-CB 3.3Å; F629-E633 WeakPolarHBondContact O-CB 3.45Å; F629-E633 PolarHBondContact O-N 2.59Å; F629-F643 HydrophobicContact CD1-CZ 4.04Å; F629-F643 HydrophobicContact CE1-CZ 4.3Å; F629-F643 HydrophobicContact CG-CZ 4.21Å; F629-F646 HydrophobicContact CE2-CE1 4.49Å; F629-Q647 VanDerWaalsContact CE1-NE2 3.29Å; F629-Q647 HydrophobicContact CZ-CG 4.41Å; F629-L651 HydrophobicContact CE2-CD2 4Å; F629-L651 HydrophobicContact CZ-CD2 3.67Å |
| 630 | K | 90.1 | Very high | 91.1 | Very high | 130 Ų | 130 | 40.7 Ų | 40.7 | 57% | 0.565 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.8 | -32.6 | 179.7 | -74.5 | 172.6 | 178.6 | 151.9 | 0 | 113.7 | V626 A627 E689 | V626-K630 HydrophobicContact CG1-CD 4.09Å; V626-K630 VanDerWaalsContact CG1-NZ 3.26Å; V626-K630 WeakPolarHBondContact O-CG 3.39Å; V626-K630 PolarHBondContact O-N 3.16Å; V626-K630 VanDerWaalsContact O-N 3.14Å; A627-K630 PolarHBondContact O-N 2.75Å; K630-E689 WeakPolarHBondContact CE-OE1 3.46Å; K630-E689 WeakPolarHBondContact CE-OE2 3.47Å; K630-E689 IonicContact NZ-OE1 3.91Å; K630-E689 PolarHBondContact NZ-OE1 2.87Å |
| 631 | Q | 89.6 | Confident | 90.8 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -102.4 | -19.6 | -171.5 | -65 | 178 | 8 | 0 | 0 | 114.8 | V587 A627 L628 F629 S635 | V587-Q631 VanDerWaalsContact C-OE1 3.29Å; A627-Q631 VanDerWaalsContact O-CB 3.27Å; A627-Q631 WeakPolarHBondContact O-CB 3.27Å; A627-Q631 VanDerWaalsContact O-CG 3.24Å; A627-Q631 WeakPolarHBondContact O-CG 3.4Å; A627-Q631 PolarHBondContact O-N 3.31Å; L628-Q631 PolarHBondContact O-N 3.02Å; F629-Q631 VanDerWaalsContact C-N 3.28Å; F629-Q631 PolarHBondContact O-N 2.66Å; Q631-S635 PolarHBondContact O-OG 3.24Å |
| 632 | C | 89 | Confident | 90.7 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -102.1 | -15.5 | -178.5 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | L628 N634 S635 F643 | L628-C632 WeakPolarHBondContact O-CB 3.46Å; L628-C632 PolarHBondContact O-N 2.94Å; L628-C632 PolarHBondContact O-SG 3.08Å; L628-C632 VanDerWaalsContact O-SG 3.34Å; C632-N634 PolarHBondContact O-N 3.44Å; C632-S635 WeakPolarHBondContact CA-OG 3.49Å; C632-S635 VanDerWaalsContact O-CB 3.3Å; C632-S635 WeakPolarHBondContact O-CB 3.49Å; C632-S635 PolarHBondContact O-N 3.26Å; C632-S635 VanDerWaalsContact O-N 3.09Å; C632-S635 PolarHBondContact O-OG 3.15Å; C632-F643 HydrophobicContact CB-CB 4.01Å; C632-F643 HydrophobicContact CB-CD1 3.71Å; C632-F643 HydrophobicContact CB-CD2 3.55Å; C632-F643 HydrophobicContact CB-CE1 4.02Å; C632-F643 HydrophobicContact CB-CE2 3.89Å; C632-F643 HydrophobicContact CB-CG 3.46Å; C632-F643 VanDerWaalsContact CB-CG 3.46Å; C632-F643 HydrophobicContact CB-CZ 4.11Å |
| 633 | E | 79.6 | Confident | 90.6 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 48% | 0.477 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -45.6 | -175.6 | -179.8 | 167 | -158.9 | 0 | 0 | 113.5 | F629 K691 | F629-E633 VanDerWaalsContact O-CB 3.3Å; F629-E633 WeakPolarHBondContact O-CB 3.45Å; F629-E633 PolarHBondContact O-N 2.59Å; E633-K691 IonicContact OE1-NZ 3.44Å; E633-K691 PolarHBondContact OE1-NZ 3.34Å; E633-K691 IonicContact OE2-NZ 2.54Å; E633-K691 PolarHBondContact OE2-NZ 2.95Å |
| 634 | N | 81.8 | Confident | 90.4 | Very high | 156 Ų | 156 | 50.6 Ų | 50.6 | 83% | 0.834 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 18.9 | -179.6 | -64.5 | -31.8 | 0 | 0 | 0 | 113.5 | C632 | C632-N634 PolarHBondContact O-N 3.44Š|
| 635 | S | 84.8 | Confident | 90.2 | Very high | 26 Ų | 26 | 56 Ų | 56 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | trans | -73.5 | 170.8 | -179.2 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | Q631 C632 L639 V640 | Q631-S635 PolarHBondContact O-OG 3.24Å; C632-S635 WeakPolarHBondContact CA-OG 3.49Å; C632-S635 VanDerWaalsContact O-CB 3.3Å; C632-S635 WeakPolarHBondContact O-CB 3.49Å; C632-S635 PolarHBondContact O-N 3.26Å; C632-S635 VanDerWaalsContact O-N 3.09Å; C632-S635 PolarHBondContact O-OG 3.15Å; S635-L639 WeakPolarHBondContact OG-CD2 3.21Å; S635-V640 WeakPolarHBondContact O-CG2 3.27Å | ||
| 636 | S | 87.2 | Confident | 90.2 | Very high | 104 Ų | 104 | 56 Ų | 56 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | trans | -137.9 | 172 | 172 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | V640 | S636-V640 VanDerWaalsContact CA-CG2 3.49Š| ||
| 637 | G | 90.9 | Very high | 90.1 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -144.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L639 V640 | G637-L639 VanDerWaalsContact C-N 3.25Å; G637-L639 PolarHBondContact O-N 3.12Å; G637-V640 PolarHBondContact O-N 2.94Å |
| 638 | Q | 91 | Very high | 89.9 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -30.1 | -175.4 | -173.4 | 62 | 17.5 | 0 | 0 | 112.7 | F592 V640 K641 T642 | F592-Q638 HydrophobicContact CE1-CB 4.34Å; F592-Q638 HydrophobicContact CE1-CG 4.02Å; F592-Q638 HydrophobicContact CZ-CB 4.04Å; F592-Q638 HydrophobicContact CZ-CG 4.18Å; Q638-V640 PolarHBondContact O-N 3.5Å; Q638-K641 PolarHBondContact O-N 3.04Å; Q638-T642 PolarHBondContact O-N 2.89Å; Q638-T642 PolarHBondContact O-OG1 3.38Å; Q638-T642 VanDerWaalsContact O-OG1 3.14Å |
| 639 | L | 91.4 | Very high | 89.8 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | -178.6 | -179.8 | 58.9 | 0 | 0 | 0 | 111.8 | R591 F592 L595 S635 G637 K641 T642 F643 | R591-L639 HydrophobicContact CB-CD1 3.93Å; R591-L639 HydrophobicContact CB-CD2 4.37Å; F592-L639 HydrophobicContact CD1-CD1 4.31Å; F592-L639 HydrophobicContact CE1-CB 4.17Å; F592-L639 HydrophobicContact CE1-CD1 4.16Å; F592-L639 HydrophobicContact CE2-CB 4.16Å; F592-L639 HydrophobicContact CE2-CD1 4.41Å; F592-L639 HydrophobicContact CZ-CB 3.66Å; F592-L639 HydrophobicContact CZ-CD1 4.22Å; L595-L639 HydrophobicContact CD1-CD1 3.73Å; S635-L639 WeakPolarHBondContact OG-CD2 3.21Å; G637-L639 VanDerWaalsContact C-N 3.25Å; G637-L639 PolarHBondContact O-N 3.12Å; L639-K641 VanDerWaalsContact C-N 3.33Å; L639-K641 PolarHBondContact O-N 2.86Å; L639-T642 PolarHBondContact O-N 3.4Å; L639-F643 WeakPolarHBondContact O-CB 3.35Å; L639-F643 PolarHBondContact O-N 2.91Å |
| 640 | V | 91.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | S635 S636 G637 Q638 T642 F643 N644 | S635-V640 WeakPolarHBondContact O-CG2 3.27Å; S636-V640 VanDerWaalsContact CA-CG2 3.49Å; G637-V640 PolarHBondContact O-N 2.94Å; Q638-V640 PolarHBondContact O-N 3.5Å; V640-T642 VanDerWaalsContact C-N 3.33Å; V640-T642 PolarHBondContact O-N 3.3Å; V640-F643 PolarHBondContact O-N 3.4Å; V640-N644 WeakPolarHBondContact CG1-ND2 3.17Å; V640-N644 VanDerWaalsContact O-CB 3.26Å; V640-N644 WeakPolarHBondContact O-CB 3.49Å; V640-N644 PolarHBondContact O-N 3.39Å; V640-N644 PolarHBondContact O-ND2 2.92Å; V640-N644 PolarHBondContact O-OD1 3.17Å |
| 641 | K | 92.1 | Very high | 89.8 | Confident | 142 Ų | 142 | 67.7 Ų | 67.7 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 177.3 | -65 | -178 | -178.7 | 178.5 | 0 | 110.9 | Q638 L639 H645 | Q638-K641 PolarHBondContact O-N 3.04Å; L639-K641 VanDerWaalsContact C-N 3.33Å; L639-K641 PolarHBondContact O-N 2.86Å; K641-H645 PolarHBondContact O-N 2.91Å |
| 642 | T | 93.9 | Very high | 89.8 | Confident | 17 Ų | 17 | 67 Ų | 67 | 10% | 0.104 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 176.8 | -52 | 0 | 0 | 0 | 0 | 111.9 | L595 L596 Q638 L639 V640 H645 F646 | L595-T642 HydrophobicContact CB-CG2 3.79Å; L595-T642 HydrophobicContact CD1-CG2 3.89Å; L595-T642 HydrophobicContact CG-CG2 4.41Å; L596-T642 HydrophobicContact CD2-CG2 3.73Å; L596-T642 HydrophobicContact CG-CG2 4.24Å; Q638-T642 PolarHBondContact O-N 2.89Å; Q638-T642 PolarHBondContact O-OG1 3.38Å; Q638-T642 VanDerWaalsContact O-OG1 3.14Å; L639-T642 PolarHBondContact O-N 3.4Å; V640-T642 VanDerWaalsContact C-N 3.33Å; V640-T642 PolarHBondContact O-N 3.3Å; T642-H645 WeakPolarHBondContact O-CB 3.47Å; T642-H645 PolarHBondContact O-N 3.18Å; T642-F646 PolarHBondContact O-N 3.34Å |
| 643 | F | 93.2 | Very high | 89.9 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 177.8 | -177.5 | -115.1 | 0 | 0 | 0 | 112.4 | L595 L628 F629 C632 L639 V640 H645 F646 Q647 | L595-F643 HydrophobicContact CD1-CB 4.4Å; L595-F643 HydrophobicContact CD2-CD2 4.28Å; L628-F643 HydrophobicContact CB-CE2 4.14Å; F629-F643 HydrophobicContact CD1-CZ 4.04Å; F629-F643 HydrophobicContact CE1-CZ 4.3Å; F629-F643 HydrophobicContact CG-CZ 4.21Å; C632-F643 HydrophobicContact CB-CB 4.01Å; C632-F643 HydrophobicContact CB-CD1 3.71Å; C632-F643 HydrophobicContact CB-CD2 3.55Å; C632-F643 HydrophobicContact CB-CE1 4.02Å; C632-F643 HydrophobicContact CB-CE2 3.89Å; C632-F643 HydrophobicContact CB-CG 3.46Å; C632-F643 VanDerWaalsContact CB-CG 3.46Å; C632-F643 HydrophobicContact CB-CZ 4.11Å; L639-F643 WeakPolarHBondContact O-CB 3.35Å; L639-F643 PolarHBondContact O-N 2.91Å; V640-F643 PolarHBondContact O-N 3.4Å; F643-H645 VanDerWaalsContact C-N 3.29Å; F643-H645 PolarHBondContact O-N 3.42Å; F643-F646 HydrophobicContact CD2-CD1 4Å; F643-F646 AromaticContact CE2-CD1 3.91Å; F643-F646 HydrophobicContact CE2-CD1 3.91Å; F643-F646 HydrophobicContact CE2-CE1 4.24Å; F643-F646 WeakPolarHBondContact O-CA 3.4Å; F643-F646 WeakPolarHBondContact O-CB 3.3Å; F643-F646 PolarHBondContact O-N 3.13Å; F643-F646 VanDerWaalsContact O-N 3.14Å; F643-Q647 HydrophobicContact CD1-CG 4.41Å; F643-Q647 VanDerWaalsContact CE1-CD 3.41Å; F643-Q647 HydrophobicContact CE1-CG 4.02Å; F643-Q647 HydrophobicContact CE2-CG 4.26Å; F643-Q647 HydrophobicContact CZ-CG 3.93Å; F643-Q647 WeakPolarHBondContact O-CG 3.07Å; F643-Q647 PolarHBondContact O-N 3.49Å |
| 644 | N | 91.4 | Very high | 90.5 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 173.9 | -72.2 | -12 | 0 | 0 | 0 | 111.4 | V640 Q647 R648 | V640-N644 WeakPolarHBondContact CG1-ND2 3.17Å; V640-N644 VanDerWaalsContact O-CB 3.26Å; V640-N644 WeakPolarHBondContact O-CB 3.49Å; V640-N644 PolarHBondContact O-N 3.39Å; V640-N644 PolarHBondContact O-ND2 2.92Å; V640-N644 PolarHBondContact O-OD1 3.17Å; N644-Q647 PolarHBondContact O-N 3.38Å; N644-R648 WeakPolarHBondContact O-CB 3.24Å; N644-R648 VanDerWaalsContact O-CG 3.31Å; N644-R648 WeakPolarHBondContact O-CG 3.32Å; N644-R648 PolarHBondContact O-N 3.23Å |
| 645 | H | 92.6 | Very high | 90.8 | Very high | 113 Ų | 113 | 56.9 Ų | 56.9 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 172.7 | 175.4 | 73.8 | 0 | 0 | 0 | 111.4 | K641 T642 F643 Q647 R648 E649 | K641-H645 PolarHBondContact O-N 2.91Å; T642-H645 WeakPolarHBondContact O-CB 3.47Å; T642-H645 PolarHBondContact O-N 3.18Å; F643-H645 VanDerWaalsContact C-N 3.29Å; F643-H645 PolarHBondContact O-N 3.42Å; H645-Q647 PolarHBondContact O-N 3.46Å; H645-R648 PolarHBondContact O-N 3.07Å; H645-E649 VanDerWaalsContact CE1-CG 3.49Å; H645-E649 WeakPolarHBondContact CE1-CG 3.46Å; H645-E649 WeakPolarHBondContact ND1-CG 3.41Å; H645-E649 WeakPolarHBondContact O-CB 3.39Å; H645-E649 PolarHBondContact O-N 2.86Å |
| 646 | F | 92.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.022 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -56.5 | -46.6 | 173.5 | 163.8 | -94.9 | 0 | 0 | 0 | 112.2 | L595 V599 I625 L628 F629 T642 F643 R648 V650 L651 I654 | L595-F646 HydrophobicContact CD2-CB 3.78Å; L595-F646 HydrophobicContact CD2-CD1 4.31Å; L595-F646 HydrophobicContact CD2-CD2 4.28Å; L595-F646 HydrophobicContact CD2-CG 3.86Å; V599-F646 HydrophobicContact CG1-CD2 4.23Å; V599-F646 HydrophobicContact CG1-CE2 3.92Å; V599-F646 HydrophobicContact CG2-CE2 4.49Å; I625-F646 HydrophobicContact CG1-CZ 4.21Å; L628-F646 HydrophobicContact CD1-CE1 4.48Å; L628-F646 HydrophobicContact CD1-CZ 4.36Å; F629-F646 HydrophobicContact CE2-CE1 4.49Å; T642-F646 PolarHBondContact O-N 3.34Å; F643-F646 HydrophobicContact CD2-CD1 4Å; F643-F646 AromaticContact CE2-CD1 3.91Å; F643-F646 HydrophobicContact CE2-CD1 3.91Å; F643-F646 HydrophobicContact CE2-CE1 4.24Å; F643-F646 WeakPolarHBondContact O-CA 3.4Å; F643-F646 WeakPolarHBondContact O-CB 3.3Å; F643-F646 PolarHBondContact O-N 3.13Å; F643-F646 VanDerWaalsContact O-N 3.14Å; F646-R648 VanDerWaalsContact C-N 3.34Å; F646-R648 PolarHBondContact O-N 3.02Å; F646-V650 HydrophobicContact CD2-CB 3.62Å; F646-V650 HydrophobicContact CD2-CG1 3.72Å; F646-V650 HydrophobicContact CD2-CG2 4.27Å; F646-V650 HydrophobicContact CE2-CB 4.09Å; F646-V650 HydrophobicContact CE2-CG1 3.83Å; F646-V650 HydrophobicContact CG-CB 4.38Å; F646-V650 CarbonylContact O-C 3.59Å; F646-V650 WeakPolarHBondContact O-CA 3.37Å; F646-V650 WeakPolarHBondContact O-CB 3.37Å; F646-V650 PolarHBondContact O-N 3.46Å; F646-L651 HydrophobicContact CZ-CD1 4.48Å; F646-L651 PolarHBondContact O-N 3.14Å; F646-I654 HydrophobicContact CE2-CD1 3.89Å; F646-I654 HydrophobicContact CZ-CD1 4.17Å |
| 647 | Q | 90 | Very high | 91.3 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -64.1 | -36.3 | 179.1 | -70.9 | -178.4 | -57.4 | 0 | 0 | 113.1 | F629 F643 N644 H645 | F629-Q647 VanDerWaalsContact CE1-NE2 3.29Å; F629-Q647 HydrophobicContact CZ-CG 4.41Å; F643-Q647 HydrophobicContact CD1-CG 4.41Å; F643-Q647 VanDerWaalsContact CE1-CD 3.41Å; F643-Q647 HydrophobicContact CE1-CG 4.02Å; F643-Q647 HydrophobicContact CE2-CG 4.26Å; F643-Q647 HydrophobicContact CZ-CG 3.93Å; F643-Q647 WeakPolarHBondContact O-CG 3.07Å; F643-Q647 PolarHBondContact O-N 3.49Å; N644-Q647 PolarHBondContact O-N 3.38Å; H645-Q647 PolarHBondContact O-N 3.46Å |
| 648 | R | 89.6 | Confident | 91.1 | Very high | 189 Ų | 189 | 51 Ų | 51 | 71% | 0.713 | 24% | 0.244 | S | C | * | . | I | π-helix | trans | -81.9 | -42.1 | -177.4 | -70.9 | 178.7 | -176 | -160.5 | 0 | 113.4 | N644 H645 F646 P652 | N644-R648 WeakPolarHBondContact O-CB 3.24Å; N644-R648 VanDerWaalsContact O-CG 3.31Å; N644-R648 WeakPolarHBondContact O-CG 3.32Å; N644-R648 PolarHBondContact O-N 3.23Å; H645-R648 PolarHBondContact O-N 3.07Å; F646-R648 VanDerWaalsContact C-N 3.34Å; F646-R648 PolarHBondContact O-N 3.02Å; R648-P652 WeakPolarHBondContact O-CG 3.19Å |
| 649 | E | 91.4 | Very high | 90.9 | Very high | 119 Ų | 119 | 50.1 Ų | 50.1 | 56% | 0.556 | 24% | 0.239 | S | C | * | . | I | π-helix | trans | -106.8 | -33 | -168.9 | -56.7 | -58.1 | 144 | 0 | 0 | 113.1 | H645 V653 | H645-E649 VanDerWaalsContact CE1-CG 3.49Å; H645-E649 WeakPolarHBondContact CE1-CG 3.46Å; H645-E649 WeakPolarHBondContact ND1-CG 3.41Å; H645-E649 WeakPolarHBondContact O-CB 3.39Å; H645-E649 PolarHBondContact O-N 2.86Å; E649-V653 WeakPolarHBondContact O-CG2 3.43Å |
| 650 | V | 92.5 | Very high | 90.6 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -100.1 | -42.1 | -170.1 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | V599 L603 F646 V653 I654 | V599-V650 HydrophobicContact CG1-CG1 3.76Å; L603-V650 HydrophobicContact CD1-CG1 3.6Å; F646-V650 HydrophobicContact CD2-CB 3.62Å; F646-V650 HydrophobicContact CD2-CG1 3.72Å; F646-V650 HydrophobicContact CD2-CG2 4.27Å; F646-V650 HydrophobicContact CE2-CB 4.09Å; F646-V650 HydrophobicContact CE2-CG1 3.83Å; F646-V650 HydrophobicContact CG-CB 4.38Å; F646-V650 CarbonylContact O-C 3.59Å; F646-V650 WeakPolarHBondContact O-CA 3.37Å; F646-V650 WeakPolarHBondContact O-CB 3.37Å; F646-V650 PolarHBondContact O-N 3.46Å; V650-V653 WeakPolarHBondContact O-CB 3.4Å; V650-V653 PolarHBondContact O-N 2.87Å; V650-V653 VanDerWaalsContact O-N 3.15Å; V650-I654 HydrophobicContact CG1-CD1 4.15Å; V650-I654 PolarHBondContact O-N 2.71Å; V650-I654 VanDerWaalsContact O-N 3.13Å |
| 651 | L | 90.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | -179.4 | -176.2 | 62.4 | 0 | 0 | 0 | 113.6 | I625 F629 F646 V653 I654 I655 F692 | I625-L651 HydrophobicContact CG2-CD1 4.49Å; F629-L651 HydrophobicContact CE2-CD2 4Å; F629-L651 HydrophobicContact CZ-CD2 3.67Å; F646-L651 HydrophobicContact CZ-CD1 4.48Å; F646-L651 PolarHBondContact O-N 3.14Å; L651-V653 VanDerWaalsContact C-N 3.28Å; L651-V653 PolarHBondContact O-N 3.34Å; L651-I654 WeakPolarHBondContact O-CB 3.29Å; L651-I654 PolarHBondContact O-N 2.6Å; L651-I654 VanDerWaalsContact O-N 3.12Å; L651-I655 HydrophobicContact CD1-CD1 4.45Å; L651-I655 HydrophobicContact CG-CD1 4.14Å; L651-I655 WeakPolarHBondContact O-CG1 3.4Å; L651-I655 PolarHBondContact O-N 3.46Å; L651-F692 HydrophobicContact CD2-CD2 3.7Å; L651-F692 HydrophobicContact CD2-CE2 3.81Å; L651-F692 HydrophobicContact CG-CD2 4.37Å; L651-F692 HydrophobicContact CG-CE2 4.09Å |
| 652 | P | 89 | Confident | 89.9 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 29% | 0.286 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 173.7 | -25.9 | 36.8 | 0 | 0 | 0 | 112.8 | R648 I654 I655 D656 | R648-P652 WeakPolarHBondContact O-CG 3.19Å; P652-I654 VanDerWaalsContact C-N 3.28Å; P652-I654 PolarHBondContact O-N 3.49Å; P652-I655 PolarHBondContact O-N 3.35Å; P652-D656 PolarHBondContact O-N 3.37Å; P652-D656 VanDerWaalsContact O-N 3.08Å |
| 653 | V | 90.9 | Very high | 89.3 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | E649 V650 L651 I657 | E649-V653 WeakPolarHBondContact O-CG2 3.43Å; V650-V653 WeakPolarHBondContact O-CB 3.4Å; V650-V653 PolarHBondContact O-N 2.87Å; V650-V653 VanDerWaalsContact O-N 3.15Å; L651-V653 VanDerWaalsContact C-N 3.28Å; L651-V653 PolarHBondContact O-N 3.34Å; V653-I657 PolarHBondContact O-N 3.36Å |
| 654 | I | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 176.2 | -67.5 | 167.3 | 0 | 0 | 0 | 111.1 | L603 L621 I625 F646 V650 L651 P652 D656 I657 L682 I686 | L603-I654 HydrophobicContact CD2-CG1 3.86Å; L621-I654 HydrophobicContact CD2-CD1 4.09Å; L621-I654 HydrophobicContact CD2-CG1 4.49Å; I625-I654 HydrophobicContact CD1-CD1 3.95Å; I625-I654 HydrophobicContact CD1-CG2 3.7Å; I625-I654 HydrophobicContact CG1-CD1 4.38Å; F646-I654 HydrophobicContact CE2-CD1 3.89Å; F646-I654 HydrophobicContact CZ-CD1 4.17Å; V650-I654 HydrophobicContact CG1-CD1 4.15Å; V650-I654 PolarHBondContact O-N 2.71Å; V650-I654 VanDerWaalsContact O-N 3.13Å; L651-I654 WeakPolarHBondContact O-CB 3.29Å; L651-I654 PolarHBondContact O-N 2.6Å; L651-I654 VanDerWaalsContact O-N 3.12Å; P652-I654 VanDerWaalsContact C-N 3.28Å; P652-I654 PolarHBondContact O-N 3.49Å; I654-D656 VanDerWaalsContact C-N 3.29Å; I654-D656 PolarHBondContact O-N 2.9Å; I654-I657 HydrophobicContact CB-CD1 4.29Å; I654-I657 HydrophobicContact CG2-CD1 4.05Å; I654-I657 VanDerWaalsContact O-CB 3.23Å; I654-I657 WeakPolarHBondContact O-CB 3.46Å; I654-I657 WeakPolarHBondContact O-CD1 3.37Å; I654-I657 WeakPolarHBondContact O-CG1 3.26Å; I654-I657 PolarHBondContact O-N 3.39Å; I654-I657 VanDerWaalsContact O-N 3.16Å; I654-L682 HydrophobicContact CG2-CD1 3.92Å; I654-L682 HydrophobicContact CG2-CD2 4.12Å; I654-I686 HydrophobicContact CG2-CD1 4.32Å |
| 655 | I | 88.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.6 | -35.1 | -178.6 | -71.1 | 168.5 | 0 | 0 | 0 | 111.6 | L651 P652 I657 P658 Y683 I686 F692 Q698 I702 | L651-I655 HydrophobicContact CD1-CD1 4.45Å; L651-I655 HydrophobicContact CG-CD1 4.14Å; L651-I655 WeakPolarHBondContact O-CG1 3.4Å; L651-I655 PolarHBondContact O-N 3.46Å; P652-I655 PolarHBondContact O-N 3.35Å; I655-I657 PolarHBondContact O-N 3.35Å; I655-P658 VanDerWaalsContact O-CD 3.3Å; I655-P658 WeakPolarHBondContact O-CD 3.47Å; I655-Y683 HydrophobicContact CG2-CE1 4.34Å; I655-Y683 PolarHBondContact O-OH 3.31Å; I655-I686 HydrophobicContact CD1-CG2 4.36Å; I655-I686 HydrophobicContact CG1-CD1 3.96Å; I655-I686 HydrophobicContact CG1-CG2 4.48Å; I655-F692 HydrophobicContact CD1-CD1 4.05Å; I655-F692 HydrophobicContact CD1-CD2 3.87Å; I655-F692 HydrophobicContact CD1-CE1 3.44Å; I655-F692 VanDerWaalsContact CD1-CE1 3.44Å; I655-F692 HydrophobicContact CD1-CE2 3.26Å; I655-F692 HydrophobicContact CD1-CG 4.25Å; I655-F692 HydrophobicContact CD1-CZ 3.03Å; I655-Q698 HydrophobicContact CG2-CG 4.48Å; I655-I702 HydrophobicContact CG2-CD1 3.73Å |
| 656 | D | 90.1 | Very high | 87.4 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.9 | 177.4 | -72.3 | -8.7 | 0 | 0 | 0 | 113.2 | P652 I654 K659 I660 Q698 | P652-D656 PolarHBondContact O-N 3.37Å; P652-D656 VanDerWaalsContact O-N 3.08Å; I654-D656 VanDerWaalsContact C-N 3.29Å; I654-D656 PolarHBondContact O-N 2.9Å; D656-K659 WeakPolarHBondContact O-CB 3.43Å; D656-K659 PolarHBondContact O-N 2.92Å; D656-K659 VanDerWaalsContact O-N 3.09Å; D656-I660 HydrophobicContact CB-CD1 4.15Å; D656-I660 HydrophobicContact CB-CG1 4.47Å; D656-I660 VanDerWaalsContact O-CG1 3.31Å; D656-I660 WeakPolarHBondContact O-CG1 3.46Å; D656-I660 PolarHBondContact O-N 2.95Å; D656-Q698 PolarHBondContact OD1-NE2 3.29Å |
| 657 | I | 91.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -49.1 | -51.4 | 178.1 | -75.1 | 169.3 | 0 | 0 | 0 | 111.8 | L603 V606 I618 L621 V653 I654 I655 K659 I660 M661 L682 | L603-I657 HydrophobicContact CD2-CD1 4.24Å; V606-I657 HydrophobicContact CG1-CD1 4.14Å; V606-I657 HydrophobicContact CG1-CG1 4.11Å; V606-I657 HydrophobicContact CG1-CG2 3.76Å; V606-I657 HydrophobicContact CG2-CD1 4.39Å; I618-I657 HydrophobicContact CD1-CG2 4.31Å; I618-I657 HydrophobicContact CG1-CG2 4.36Å; L621-I657 HydrophobicContact CD1-CD1 3.8Å; V653-I657 PolarHBondContact O-N 3.36Å; I654-I657 HydrophobicContact CB-CD1 4.29Å; I654-I657 HydrophobicContact CG2-CD1 4.05Å; I654-I657 VanDerWaalsContact O-CB 3.23Å; I654-I657 WeakPolarHBondContact O-CB 3.46Å; I654-I657 WeakPolarHBondContact O-CD1 3.37Å; I654-I657 WeakPolarHBondContact O-CG1 3.26Å; I654-I657 PolarHBondContact O-N 3.39Å; I654-I657 VanDerWaalsContact O-N 3.16Å; I655-I657 PolarHBondContact O-N 3.35Å; I657-K659 VanDerWaalsContact C-N 3.32Å; I657-K659 PolarHBondContact O-N 2.96Å; I657-I660 PolarHBondContact O-N 3.06Å; I657-M661 HydrophobicContact CG2-CG 4.16Å; I657-M661 HydrophobicContact CG2-SD 3.53Å; I657-M661 VanDerWaalsContact CG2-SD 3.53Å; I657-M661 WeakPolarHBondContact O-CB 3.4Å; I657-M661 WeakPolarHBondContact O-CG 3.47Å; I657-M661 PolarHBondContact O-N 3.43Å; I657-L682 HydrophobicContact CD1-CD2 4.47Å |
| 658 | P | 87.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -38.6 | -178.9 | -28.3 | 42.1 | 0 | 0 | 0 | 112.9 | I655 M661 E662 I679 Y683 L705 | I655-P658 VanDerWaalsContact O-CD 3.3Å; I655-P658 WeakPolarHBondContact O-CD 3.47Å; P658-M661 PolarHBondContact O-N 2.95Å; P658-E662 WeakPolarHBondContact O-CB 3.47Å; P658-E662 PolarHBondContact O-N 3.33Å; P658-I679 HydrophobicContact CB-CD1 4.04Å; P658-I679 HydrophobicContact CB-CG2 4Å; P658-I679 HydrophobicContact CG-CB 4.3Å; P658-I679 HydrophobicContact CG-CD1 3.98Å; P658-I679 HydrophobicContact CG-CG1 3.98Å; P658-I679 HydrophobicContact CG-CG2 3.4Å; P658-Y683 HydrophobicContact CB-CE2 4.42Å; P658-Y683 WeakPolarHBondContact CD-OH 3.37Å; P658-Y683 HydrophobicContact CG-CE1 4.33Å; P658-Y683 HydrophobicContact CG-CE2 3.86Å; P658-Y683 VanDerWaalsContact CG-OH 3.26Å; P658-Y683 WeakPolarHBondContact CG-OH 3.3Å; P658-L705 HydrophobicContact CB-CD2 3.67Å |
| 659 | K | 85.4 | Confident | 84.4 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -49.8 | 175.3 | -178.9 | -178 | 175 | -177.3 | 0 | 111.3 | D656 I657 M661 E662 E663 | D656-K659 WeakPolarHBondContact O-CB 3.43Å; D656-K659 PolarHBondContact O-N 2.92Å; D656-K659 VanDerWaalsContact O-N 3.09Å; I657-K659 VanDerWaalsContact C-N 3.32Å; I657-K659 PolarHBondContact O-N 2.96Å; K659-M661 PolarHBondContact O-N 3.32Å; K659-E662 PolarHBondContact O-N 3.43Å; K659-E663 WeakPolarHBondContact CE-OE1 3.27Å; K659-E663 WeakPolarHBondContact O-CG 3.47Å; K659-E663 PolarHBondContact O-N 2.89Å |
| 660 | I | 86 | Confident | 83 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 177.3 | -64.8 | 164.7 | 0 | 0 | 0 | 110.8 | D656 I657 K664 | D656-I660 HydrophobicContact CB-CD1 4.15Å; D656-I660 HydrophobicContact CB-CG1 4.47Å; D656-I660 VanDerWaalsContact O-CG1 3.31Å; D656-I660 WeakPolarHBondContact O-CG1 3.46Å; D656-I660 PolarHBondContact O-N 2.95Å; I657-I660 PolarHBondContact O-N 3.06Å; I660-K664 WeakPolarHBondContact O-CG 3.25Å; I660-K664 PolarHBondContact O-N 3.29Å |
| 661 | M | 86.6 | Confident | 81.8 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.3 | -38.8 | 177.4 | -75 | -178.2 | 74.4 | 0 | 0 | 112.4 | I618 I657 P658 K659 K664 R665 A666 F667 L675 I679 | I618-M661 HydrophobicContact CD1-CE 4.21Å; I618-M661 HydrophobicContact CD1-SD 3.8Å; I657-M661 HydrophobicContact CG2-CG 4.16Å; I657-M661 HydrophobicContact CG2-SD 3.53Å; I657-M661 VanDerWaalsContact CG2-SD 3.53Å; I657-M661 WeakPolarHBondContact O-CB 3.4Å; I657-M661 WeakPolarHBondContact O-CG 3.47Å; I657-M661 PolarHBondContact O-N 3.43Å; P658-M661 PolarHBondContact O-N 2.95Å; K659-M661 PolarHBondContact O-N 3.32Å; M661-K664 CarbonylContact O-C 3.4Å; M661-K664 PolarHBondContact O-N 3.05Å; M661-R665 PolarHBondContact O-N 3.36Å; M661-A666 HydrophobicContact CB-CB 3.93Å; M661-A666 HydrophobicContact CE-CB 3.98Å; M661-A666 HydrophobicContact CG-CB 4.43Å; M661-A666 WeakPolarHBondContact O-CB 3.45Å; M661-A666 PolarHBondContact O-N 3.38Å; M661-F667 HydrophobicContact CB-CE2 3.59Å; M661-F667 HydrophobicContact CB-CZ 3.78Å; M661-F667 HydrophobicContact CE-CZ 4.41Å; M661-L675 HydrophobicContact CE-CB 4.44Å; M661-L675 HydrophobicContact CE-CD1 3.6Å; M661-L675 HydrophobicContact CE-CD2 3.94Å; M661-L675 HydrophobicContact CE-CG 4.19Å; M661-I679 HydrophobicContact SD-CD1 4.45Å |
| 662 | E | 82.2 | Confident | 80.9 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 41% | 0.407 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 176.4 | -173 | 59.7 | -132.2 | 0 | 0 | 111.1 | P658 K659 K664 R665 F667 L705 | P658-E662 WeakPolarHBondContact O-CB 3.47Å; P658-E662 PolarHBondContact O-N 3.33Å; K659-E662 PolarHBondContact O-N 3.43Å; E662-K664 PolarHBondContact O-N 3.02Å; E662-R665 WeakPolarHBondContact O-CA 3.22Å; E662-R665 PolarHBondContact O-N 2.87Å; E662-F667 HydrophobicContact CB-CD2 4.13Å; E662-F667 HydrophobicContact CB-CE2 4Å; E662-F667 WeakPolarHBondContact OE2-CD2 3.29Å; E662-L705 HydrophobicContact CG-CD1 4.47Å |
| 663 | E | 81.2 | Confident | 80.5 | Confident | 135 Ų | 135 | 64.6 Ų | 64.6 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -55.8 | -37.1 | 172.8 | -73.9 | 172.9 | -173.8 | 0 | 0 | 111.9 | K659 R665 | K659-E663 WeakPolarHBondContact CE-OE1 3.27Å; K659-E663 WeakPolarHBondContact O-CG 3.47Å; K659-E663 PolarHBondContact O-N 2.89Å; E663-R665 PolarHBondContact O-N 2.86Å |
| 664 | K | 82.1 | Confident | 80.2 | Confident | 129 Ų | 129 | 64.7 Ų | 64.7 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 2.8 | 174.3 | -70.4 | 179.7 | 178.1 | -176.3 | 0 | 114.1 | I660 M661 E662 A666 | I660-K664 WeakPolarHBondContact O-CG 3.25Å; I660-K664 PolarHBondContact O-N 3.29Å; M661-K664 CarbonylContact O-C 3.4Å; M661-K664 PolarHBondContact O-N 3.05Å; E662-K664 PolarHBondContact O-N 3.02Å; K664-A666 PolarHBondContact O-N 2.86Å |
| 665 | R | 77.8 | Confident | 80.1 | Confident | 192 Ų | 192 | 64.7 Ų | 64.7 | 73% | 0.725 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.2 | -174.1 | -56.9 | -179.9 | 177.3 | -179.6 | -1.5 | 112.9 | M661 E662 E663 F667 S668 | M661-R665 PolarHBondContact O-N 3.36Å; E662-R665 WeakPolarHBondContact O-CA 3.22Å; E662-R665 PolarHBondContact O-N 2.87Å; E663-R665 PolarHBondContact O-N 2.86Å; R665-F667 PolarHBondContact O-N 2.86Å; R665-S668 WeakPolarHBondContact O-CB 3.36Å; R665-S668 PolarHBondContact O-N 3.33Å; R665-S668 VanDerWaalsContact O-N 3.15Å; R665-S668 PolarHBondContact O-OG 3.17Å |
| 666 | A | 77.1 | Confident | 80.2 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M661 K664 S668 R671 | M661-A666 HydrophobicContact CB-CB 3.93Å; M661-A666 HydrophobicContact CE-CB 3.98Å; M661-A666 HydrophobicContact CG-CB 4.43Å; M661-A666 WeakPolarHBondContact O-CB 3.45Å; M661-A666 PolarHBondContact O-N 3.38Å; K664-A666 PolarHBondContact O-N 2.86Å; A666-S668 PolarHBondContact O-N 3.45Å; A666-R671 PolarHBondContact O-NE 2.87Å; A666-R671 PolarHBondContact O-NH2 2.77Å |
| 667 | F | 75.8 | Confident | 80.2 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 2% | 0.022 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 7.6 | 178.1 | -53.6 | -77.1 | 0 | 0 | 0 | 114 | M661 E662 R665 Q672 L675 W676 I679 | M661-F667 HydrophobicContact CB-CE2 3.59Å; M661-F667 HydrophobicContact CB-CZ 3.78Å; M661-F667 HydrophobicContact CE-CZ 4.41Å; E662-F667 HydrophobicContact CB-CD2 4.13Å; E662-F667 HydrophobicContact CB-CE2 4Å; E662-F667 WeakPolarHBondContact OE2-CD2 3.29Å; R665-F667 PolarHBondContact O-N 2.86Å; F667-Q672 HydrophobicContact CB-CG 4.26Å; F667-Q672 VanDerWaalsContact O-CD 3.31Å; F667-Q672 WeakPolarHBondContact O-CG 3.38Å; F667-Q672 PolarHBondContact O-NE2 2.85Å; F667-L675 HydrophobicContact CD1-CB 4.22Å; F667-L675 HydrophobicContact CE1-CB 3.92Å; F667-W676 AromaticContact CD1-CD1 3.84Å; F667-W676 HydrophobicContact CD1-CD2 4.02Å; F667-W676 AromaticContact CD1-CE2 3.42Å; F667-W676 VanDerWaalsContact CD1-CE2 3.42Å; F667-W676 HydrophobicContact CD1-CG 4.23Å; F667-W676 AromaticContact CD1-CZ2 3.76Å; F667-W676 HydrophobicContact CD1-CZ2 3.76Å; F667-W676 AromaticContact CD1-NE1 3.32Å; F667-W676 VanDerWaalsContact CD1-NE1 3.32Å; F667-W676 AromaticContact CD2-CZ2 3.98Å; F667-W676 HydrophobicContact CD2-CZ2 3.98Å; F667-W676 AromaticContact CE1-CD2 3.86Å; F667-W676 HydrophobicContact CE1-CD2 3.86Å; F667-W676 AromaticContact CE1-CE2 3.61Å; F667-W676 HydrophobicContact CE1-CE3 4.29Å; F667-W676 HydrophobicContact CE1-CG 4.31Å; F667-W676 HydrophobicContact CE1-CH2 4.23Å; F667-W676 AromaticContact CE1-CZ2 3.79Å; F667-W676 HydrophobicContact CE1-CZ2 3.79Å; F667-W676 HydrophobicContact CE1-CZ3 4.48Å; F667-W676 AromaticContact CE1-NE1 3.95Å; F667-W676 HydrophobicContact CE2-CH2 4.22Å; F667-W676 AromaticContact CE2-CZ2 3.97Å; F667-W676 HydrophobicContact CE2-CZ2 3.97Å; F667-W676 AromaticContact CG-CE2 3.88Å; F667-W676 AromaticContact CG-CZ2 3.84Å; F667-W676 HydrophobicContact CG-CZ2 3.84Å; F667-W676 AromaticContact CG-NE1 3.76Å; F667-W676 AromaticContact CZ-CH2 4Å; F667-W676 HydrophobicContact CZ-CH2 4Å; F667-W676 AromaticContact CZ-CZ2 3.88Å; F667-W676 HydrophobicContact CZ-CZ2 3.88Å; F667-W676 HydrophobicContact CZ-CZ3 4.41Å; F667-I679 HydrophobicContact CE1-CD1 3.35Å; F667-I679 HydrophobicContact CZ-CD1 3.26Å |
| 668 | S | 70.4 | Confident | 80.4 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | trans | -81.2 | 153.8 | 174 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | R665 A666 R671 | R665-S668 WeakPolarHBondContact O-CB 3.36Å; R665-S668 PolarHBondContact O-N 3.33Å; R665-S668 VanDerWaalsContact O-N 3.15Å; R665-S668 PolarHBondContact O-OG 3.17Å; A666-S668 PolarHBondContact O-N 3.45Å; S668-R671 PolarHBondContact O-NE 3.02Å; S668-R671 PolarHBondContact O-NH2 2.98Å; S668-R671 PolarHBondContact OG-NH2 2.84Å | ||
| 669 | K | 63.8 | Low | 80.6 | Confident | 193 Ų | 193 | 63.6 Ų | 63.6 | 84% | 0.839 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 53.9 | 167.8 | -53.7 | 178.4 | 179.4 | 179.9 | 0 | 116.4 | R671 | K669-R671 PolarHBondContact O-N 3.2Å; K669-R671 VanDerWaalsContact O-N 3.13Å |
| 670 | G | 62.4 | Low | 81 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 78% | 0.784 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -2.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116 | Q672 | G670-Q672 PolarHBondContact O-N 3.24Š|
| 671 | R | 66.6 | Low | 81.3 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | trans | -78.3 | -4.8 | 174.3 | -65 | 179.3 | -71.6 | -178.6 | 3 | 114 | T611 A666 S668 K669 M673 L675 | T611-R671 HydrophobicContact CG2-CB 4.33Å; T611-R671 HydrophobicContact CG2-CG 4.26Å; T611-R671 WeakPolarHBondContact OG1-CD 3.42Å; A666-R671 PolarHBondContact O-NE 2.87Å; A666-R671 PolarHBondContact O-NH2 2.77Å; S668-R671 PolarHBondContact O-NE 3.02Å; S668-R671 PolarHBondContact O-NH2 2.98Å; S668-R671 PolarHBondContact OG-NH2 2.84Å; K669-R671 PolarHBondContact O-N 3.2Å; K669-R671 VanDerWaalsContact O-N 3.13Å; R671-M673 PolarHBondContact O-N 2.94Å; R671-L675 HydrophobicContact CB-CD1 4.46Å | ||
| 672 | Q | 71.2 | Confident | 81.6 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 38% | 0.379 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | -171.7 | -71.5 | -176.3 | -11.8 | 0 | 0 | 112.7 | F667 G670 M674 W676 | F667-Q672 HydrophobicContact CB-CG 4.26Å; F667-Q672 VanDerWaalsContact O-CD 3.31Å; F667-Q672 WeakPolarHBondContact O-CG 3.38Å; F667-Q672 PolarHBondContact O-NE2 2.85Å; G670-Q672 PolarHBondContact O-N 3.24Å; Q672-M674 PolarHBondContact O-N 3.28Å; Q672-W676 VanDerWaalsContact O-CB 3.24Å; Q672-W676 WeakPolarHBondContact O-CB 3.46Å; Q672-W676 PolarHBondContact O-N 2.93Å |
| 673 | M | 80.9 | Confident | 82.1 | Confident | 64 Ų | 64 | 54.3 Ų | 54.3 | 32% | 0.315 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.7 | -58.1 | -170.6 | -175.9 | -171.5 | 66.8 | 0 | 0 | 112 | R671 L675 W676 T677 K716 V717 | R671-M673 PolarHBondContact O-N 2.94Å; M673-L675 PolarHBondContact O-N 3.23Å; M673-W676 PolarHBondContact O-N 2.69Å; M673-T677 WeakPolarHBondContact O-CG2 3.38Å; M673-T677 PolarHBondContact O-N 3.48Å; M673-T677 PolarHBondContact O-OG1 3.48Å; M673-T677 VanDerWaalsContact O-OG1 3.09Å; M673-K716 HydrophobicContact CG-CB 4.49Å; M673-K716 HydrophobicContact SD-CD 3.94Å; M673-V717 VanDerWaalsContact CA-CG2 3.47Å; M673-V717 HydrophobicContact CB-CG2 4.02Å; M673-V717 HydrophobicContact CG-CG2 4.02Å |
| 674 | M | 85.3 | Confident | 82.5 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 23% | 0.232 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | -176 | 178.7 | -178.1 | -62.1 | 0 | 0 | 112 | R576 H615 Q672 T677 A678 | R576-M674 PolarHBondContact NH2-SD 3.33Å; H615-M674 HydrophobicContact CB-CG 3.85Å; H615-M674 HydrophobicContact CB-SD 3.76Å; H615-M674 WeakPolarHBondContact CD2-CG 3.23Å; H615-M674 PolarHBondContact CD2-O 3.47Å; Q672-M674 PolarHBondContact O-N 3.28Å; M674-T677 PolarHBondContact O-OG1 2.65Å; M674-A678 PolarHBondContact O-N 3.14Å |
| 675 | L | 90.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70 | -41 | -177.5 | -66.1 | 176.1 | 0 | 0 | 0 | 112.1 | T611 Q614 H615 I618 M661 F667 R671 M673 T677 A678 I679 | T611-L675 HydrophobicContact CG2-CD1 4.06Å; T611-L675 HydrophobicContact CG2-CD2 4.15Å; T611-L675 HydrophobicContact CG2-CG 4.09Å; Q614-L675 HydrophobicContact CB-CD2 4.13Å; H615-L675 HydrophobicContact CB-CD2 4.26Å; I618-L675 HydrophobicContact CD1-CD2 4.38Å; M661-L675 HydrophobicContact CE-CB 4.44Å; M661-L675 HydrophobicContact CE-CD1 3.6Å; M661-L675 HydrophobicContact CE-CD2 3.94Å; M661-L675 HydrophobicContact CE-CG 4.19Å; F667-L675 HydrophobicContact CD1-CB 4.22Å; F667-L675 HydrophobicContact CE1-CB 3.92Å; R671-L675 HydrophobicContact CB-CD1 4.46Å; M673-L675 PolarHBondContact O-N 3.23Å; L675-T677 PolarHBondContact O-N 3.23Å; L675-A678 PolarHBondContact O-N 3.36Å; L675-I679 WeakPolarHBondContact O-CB 3.35Å; L675-I679 VanDerWaalsContact O-CG1 3.24Å; L675-I679 WeakPolarHBondContact O-CG1 3.36Å; L675-I679 PolarHBondContact O-N 3.08Å |
| 676 | W | 89.9 | Confident | 83.3 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 3% | 0.034 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68 | -34.9 | 179.3 | -79.5 | 122.1 | 0 | 0 | 0 | 113.1 | F667 Q672 M673 I679 A680 L705 S709 V717 I721 | F667-W676 AromaticContact CD1-CD1 3.84Å; F667-W676 HydrophobicContact CD1-CD2 4.02Å; F667-W676 AromaticContact CD1-CE2 3.42Å; F667-W676 VanDerWaalsContact CD1-CE2 3.42Å; F667-W676 HydrophobicContact CD1-CG 4.23Å; F667-W676 AromaticContact CD1-CZ2 3.76Å; F667-W676 HydrophobicContact CD1-CZ2 3.76Å; F667-W676 AromaticContact CD1-NE1 3.32Å; F667-W676 VanDerWaalsContact CD1-NE1 3.32Å; F667-W676 AromaticContact CD2-CZ2 3.98Å; F667-W676 HydrophobicContact CD2-CZ2 3.98Å; F667-W676 AromaticContact CE1-CD2 3.86Å; F667-W676 HydrophobicContact CE1-CD2 3.86Å; F667-W676 AromaticContact CE1-CE2 3.61Å; F667-W676 HydrophobicContact CE1-CE3 4.29Å; F667-W676 HydrophobicContact CE1-CG 4.31Å; F667-W676 HydrophobicContact CE1-CH2 4.23Å; F667-W676 AromaticContact CE1-CZ2 3.79Å; F667-W676 HydrophobicContact CE1-CZ2 3.79Å; F667-W676 HydrophobicContact CE1-CZ3 4.48Å; F667-W676 AromaticContact CE1-NE1 3.95Å; F667-W676 HydrophobicContact CE2-CH2 4.22Å; F667-W676 AromaticContact CE2-CZ2 3.97Å; F667-W676 HydrophobicContact CE2-CZ2 3.97Å; F667-W676 AromaticContact CG-CE2 3.88Å; F667-W676 AromaticContact CG-CZ2 3.84Å; F667-W676 HydrophobicContact CG-CZ2 3.84Å; F667-W676 AromaticContact CG-NE1 3.76Å; F667-W676 AromaticContact CZ-CH2 4Å; F667-W676 HydrophobicContact CZ-CH2 4Å; F667-W676 AromaticContact CZ-CZ2 3.88Å; F667-W676 HydrophobicContact CZ-CZ2 3.88Å; F667-W676 HydrophobicContact CZ-CZ3 4.41Å; Q672-W676 VanDerWaalsContact O-CB 3.24Å; Q672-W676 WeakPolarHBondContact O-CB 3.46Å; Q672-W676 PolarHBondContact O-N 2.93Å; M673-W676 PolarHBondContact O-N 2.69Å; W676-I679 HydrophobicContact CE3-CB 4.2Å; W676-I679 HydrophobicContact CE3-CD1 4.11Å; W676-I679 HydrophobicContact CE3-CG2 3.99Å; W676-I679 HydrophobicContact CZ3-CD1 4.24Å; W676-I679 HydrophobicContact CZ3-CG2 3.95Å; W676-I679 PolarHBondContact O-N 3.47Å; W676-A680 VanDerWaalsContact O-CB 3.26Å; W676-A680 WeakPolarHBondContact O-CB 3.25Å; W676-A680 PolarHBondContact O-N 2.91Å; W676-L705 HydrophobicContact CH2-CD1 3.83Å; W676-L705 HydrophobicContact CH2-CD2 3.98Å; W676-L705 HydrophobicContact CH2-CG 3.7Å; W676-L705 HydrophobicContact CZ2-CD1 4.47Å; W676-L705 HydrophobicContact CZ3-CD2 4.37Å; W676-L705 HydrophobicContact CZ3-CG 4.29Å; W676-S709 WeakPolarHBondContact CH2-OG 3.38Å; W676-S709 WeakPolarHBondContact CZ2-OG 3.46Å; W676-V717 HydrophobicContact CB-CG1 3.82Å; W676-V717 HydrophobicContact CB-CG2 4.36Å; W676-V717 HydrophobicContact CG-CG1 4.19Å; W676-I721 HydrophobicContact CB-CD1 4.34Å; W676-I721 HydrophobicContact CD2-CD1 4.25Å; W676-I721 HydrophobicContact CE3-CD1 3.63Å; W676-I721 HydrophobicContact CZ3-CD1 4.32Å |
| 677 | T | 91.1 | Very high | 83.7 | Confident | 26 Ų | 26 | 37 Ų | 37 | 16% | 0.16 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.2 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | M673 M674 L675 A680 D681 A720 | M673-T677 WeakPolarHBondContact O-CG2 3.38Å; M673-T677 PolarHBondContact O-N 3.48Å; M673-T677 PolarHBondContact O-OG1 3.48Å; M673-T677 VanDerWaalsContact O-OG1 3.09Å; M674-T677 PolarHBondContact O-OG1 2.65Å; L675-T677 PolarHBondContact O-N 3.23Å; T677-A680 PolarHBondContact O-N 2.85Å; T677-D681 PolarHBondContact O-N 3.45Å; T677-A720 HydrophobicContact CG2-CB 3.92Å |
| 678 | A | 93.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I618 L619 M674 L675 D681 L682 | I618-A678 HydrophobicContact CB-CB 4.08Å; I618-A678 HydrophobicContact CG2-CB 3.7Å; I618-A678 WeakPolarHBondContact CG2-O 3.38Å; L619-A678 HydrophobicContact CD2-CB 3.75Å; L619-A678 HydrophobicContact CG-CB 4.03Å; M674-A678 PolarHBondContact O-N 3.14Å; L675-A678 PolarHBondContact O-N 3.36Å; A678-D681 PolarHBondContact O-N 3.3Å; A678-L682 WeakPolarHBondContact O-CB 3.44Å; A678-L682 PolarHBondContact O-N 3.3Å |
| 679 | I | 93.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 175.2 | -72.6 | 167.9 | 0 | 0 | 0 | 111.4 | I618 P658 M661 F667 L675 W676 D681 L682 Y683 | I618-I679 HydrophobicContact CD1-CG1 4.33Å; I618-I679 HydrophobicContact CG2-CG1 4.44Å; P658-I679 HydrophobicContact CB-CD1 4.04Å; P658-I679 HydrophobicContact CB-CG2 4Å; P658-I679 HydrophobicContact CG-CB 4.3Å; P658-I679 HydrophobicContact CG-CD1 3.98Å; P658-I679 HydrophobicContact CG-CG1 3.98Å; P658-I679 HydrophobicContact CG-CG2 3.4Å; M661-I679 HydrophobicContact SD-CD1 4.45Å; F667-I679 HydrophobicContact CE1-CD1 3.35Å; F667-I679 HydrophobicContact CZ-CD1 3.26Å; L675-I679 WeakPolarHBondContact O-CB 3.35Å; L675-I679 VanDerWaalsContact O-CG1 3.24Å; L675-I679 WeakPolarHBondContact O-CG1 3.36Å; L675-I679 PolarHBondContact O-N 3.08Å; W676-I679 HydrophobicContact CE3-CB 4.2Å; W676-I679 HydrophobicContact CE3-CD1 4.11Å; W676-I679 HydrophobicContact CE3-CG2 3.99Å; W676-I679 HydrophobicContact CZ3-CD1 4.24Å; W676-I679 HydrophobicContact CZ3-CG2 3.95Å; W676-I679 PolarHBondContact O-N 3.47Å; I679-D681 VanDerWaalsContact C-N 3.33Å; I679-L682 WeakPolarHBondContact O-CB 3.43Å; I679-L682 PolarHBondContact O-N 3.09Å; I679-Y683 HydrophobicContact CG2-CD2 3.99Å; I679-Y683 HydrophobicContact CG2-CE2 3.97Å; I679-Y683 PolarHBondContact O-N 3.19Å |
| 680 | A | 92.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W676 T677 L682 Y683 E684 A720 I721 A724 | W676-A680 VanDerWaalsContact O-CB 3.26Å; W676-A680 WeakPolarHBondContact O-CB 3.25Å; W676-A680 PolarHBondContact O-N 2.91Å; T677-A680 PolarHBondContact O-N 2.85Å; A680-L682 VanDerWaalsContact C-N 3.31Å; A680-L682 PolarHBondContact O-N 3.04Å; A680-Y683 PolarHBondContact O-N 3.47Å; A680-E684 VanDerWaalsContact O-CB 3.27Å; A680-E684 WeakPolarHBondContact O-CB 3.39Å; A680-E684 PolarHBondContact O-N 3.39Å; A680-A720 VanDerWaalsContact CB-C 3.41Å; A680-A720 HydrophobicContact CB-CB 3.64Å; A680-A720 WeakPolarHBondContact CB-O 3.44Å; A680-I721 HydrophobicContact CB-CD1 4.29Å; A680-A724 HydrophobicContact CB-CB 4.07Å |
| 681 | D | 92.3 | Very high | 84.1 | Confident | 41 Ų | 41 | 37.3 Ų | 37.3 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 175.7 | -66.9 | -24.5 | 0 | 0 | 0 | 111.7 | T677 A678 I679 N685 R723 | T677-D681 PolarHBondContact O-N 3.45Å; A678-D681 PolarHBondContact O-N 3.3Å; I679-D681 VanDerWaalsContact C-N 3.33Å; D681-N685 VanDerWaalsContact O-CB 3.27Å; D681-N685 WeakPolarHBondContact O-CB 3.39Å; D681-N685 VanDerWaalsContact O-CG 3.27Å; D681-N685 PolarHBondContact O-N 2.99Å; D681-N685 VanDerWaalsContact O-N 3.12Å; D681-N685 PolarHBondContact O-ND2 3.31Å; D681-R723 IonicContact OD1-CZ 3.19Å; D681-R723 IonicContact OD1-NH1 2.62Å; D681-R723 PolarHBondContact OD1-NH1 2.76Å; D681-R723 IonicContact OD1-NH2 2.82Å; D681-R723 PolarHBondContact OD1-NH2 2.96Å |
| 682 | L | 93.9 | Very high | 84 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -52.3 | 172.8 | 177.6 | 65.6 | 0 | 0 | 0 | 111.3 | I618 L621 A622 I625 I654 I657 A678 I679 A680 N685 I686 | I618-L682 HydrophobicContact CG2-CB 4.12Å; I618-L682 HydrophobicContact CG2-CD2 4.25Å; L621-L682 HydrophobicContact CB-CD1 4.47Å; A622-L682 HydrophobicContact CB-CB 4.1Å; A622-L682 HydrophobicContact CB-CD1 3.97Å; I625-L682 HydrophobicContact CD1-CD1 3.91Å; I654-L682 HydrophobicContact CG2-CD1 3.92Å; I654-L682 HydrophobicContact CG2-CD2 4.12Å; I657-L682 HydrophobicContact CD1-CD2 4.47Å; A678-L682 WeakPolarHBondContact O-CB 3.44Å; A678-L682 PolarHBondContact O-N 3.3Å; I679-L682 WeakPolarHBondContact O-CB 3.43Å; I679-L682 PolarHBondContact O-N 3.09Å; A680-L682 VanDerWaalsContact C-N 3.31Å; A680-L682 PolarHBondContact O-N 3.04Å; L682-N685 PolarHBondContact O-N 3.46Å; L682-I686 HydrophobicContact CD1-CD1 3.74Å; L682-I686 HydrophobicContact CD1-CG1 4.36Å; L682-I686 HydrophobicContact CG-CD1 3.86Å; L682-I686 VanDerWaalsContact O-CG1 3.27Å; L682-I686 WeakPolarHBondContact O-CG1 3.4Å; L682-I686 PolarHBondContact O-N 3.47Å |
| 683 | Y | 91.5 | Very high | 83.8 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -41.2 | -179 | -77.3 | -25.5 | 0 | 0 | 0 | 113.2 | I655 P658 I679 A680 N685 I686 F687 I702 L706 | I655-Y683 HydrophobicContact CG2-CE1 4.34Å; I655-Y683 PolarHBondContact O-OH 3.31Å; P658-Y683 HydrophobicContact CB-CE2 4.42Å; P658-Y683 WeakPolarHBondContact CD-OH 3.37Å; P658-Y683 HydrophobicContact CG-CE1 4.33Å; P658-Y683 HydrophobicContact CG-CE2 3.86Å; P658-Y683 VanDerWaalsContact CG-OH 3.26Å; P658-Y683 WeakPolarHBondContact CG-OH 3.3Å; I679-Y683 HydrophobicContact CG2-CD2 3.99Å; I679-Y683 HydrophobicContact CG2-CE2 3.97Å; I679-Y683 PolarHBondContact O-N 3.19Å; A680-Y683 PolarHBondContact O-N 3.47Å; Y683-N685 VanDerWaalsContact C-N 3.29Å; Y683-N685 PolarHBondContact O-N 2.95Å; Y683-I686 PolarHBondContact O-N 2.91Å; Y683-F687 AromaticContact CD1-CE2 3.99Å; Y683-F687 HydrophobicContact CD1-CE2 3.99Å; Y683-F687 AromaticContact CG-CE2 3.94Å; Y683-F687 HydrophobicContact CG-CE2 3.94Å; Y683-F687 WeakPolarHBondContact O-CB 3.23Å; Y683-F687 WeakPolarHBondContact O-CD2 3.29Å; Y683-F687 PolarHBondContact O-N 3.45Å; Y683-I702 HydrophobicContact CD2-CG2 4.11Å; Y683-I702 HydrophobicContact CE1-CD1 4.37Å; Y683-I702 HydrophobicContact CE2-CG2 3.67Å; Y683-L706 HydrophobicContact CD2-CD1 4.47Å; Y683-L706 HydrophobicContact CD2-CD2 4.09Å; Y683-L706 HydrophobicContact CE2-CD2 4.46Å |
| 684 | E | 90.6 | Very high | 83.2 | Confident | 39 Ų | 39 | 37.6 Ų | 37.6 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.7 | -48.5 | 174.2 | -179.6 | 173.3 | -156.9 | 0 | 0 | 110.6 | A680 F687 L688 R723 A727 | A680-E684 VanDerWaalsContact O-CB 3.27Å; A680-E684 WeakPolarHBondContact O-CB 3.39Å; A680-E684 PolarHBondContact O-N 3.39Å; E684-F687 PolarHBondContact O-N 2.95Å; E684-L688 HydrophobicContact CG-CD1 3.71Å; E684-L688 HydrophobicContact CG-CG 4.3Å; E684-L688 VanDerWaalsContact O-CB 3.28Å; E684-L688 WeakPolarHBondContact O-CB 3.26Å; E684-L688 VanDerWaalsContact O-CG 3.23Å; E684-L688 WeakPolarHBondContact O-CG 3.38Å; E684-L688 PolarHBondContact O-N 2.72Å; E684-R723 IonicContact OE2-CZ 3.58Å; E684-R723 IonicContact OE2-NE 2.8Å; E684-R723 IonicContact OE2-NH1 2.73Å; E684-R723 PolarHBondContact OE2-NH1 2.81Å; E684-A727 HydrophobicContact CB-CB 4.48Å; E684-A727 HydrophobicContact CG-CB 4.21Å |
| 685 | N | 89.4 | Confident | 82.6 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65 | -41.4 | 178.5 | -78.6 | -41.4 | 0 | 0 | 0 | 113.2 | V626 D681 L682 Y683 E689 | V626-N685 HydrophobicContact CG2-CB 3.6Å; D681-N685 VanDerWaalsContact O-CB 3.27Å; D681-N685 WeakPolarHBondContact O-CB 3.39Å; D681-N685 VanDerWaalsContact O-CG 3.27Å; D681-N685 PolarHBondContact O-N 2.99Å; D681-N685 VanDerWaalsContact O-N 3.12Å; D681-N685 PolarHBondContact O-ND2 3.31Å; L682-N685 PolarHBondContact O-N 3.46Å; Y683-N685 VanDerWaalsContact C-N 3.29Å; Y683-N685 PolarHBondContact O-N 2.95Å; N685-E689 WeakPolarHBondContact O-CG 3.42Å |
| 686 | I | 87.9 | Confident | 81.6 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 178 | -71.6 | 171.1 | 0 | 0 | 0 | 111.1 | I625 I654 I655 L682 Y683 | I625-I686 HydrophobicContact CD1-CD1 4.48Å; I654-I686 HydrophobicContact CG2-CD1 4.32Å; I655-I686 HydrophobicContact CD1-CG2 4.36Å; I655-I686 HydrophobicContact CG1-CD1 3.96Å; I655-I686 HydrophobicContact CG1-CG2 4.48Å; L682-I686 HydrophobicContact CD1-CD1 3.74Å; L682-I686 HydrophobicContact CD1-CG1 4.36Å; L682-I686 HydrophobicContact CG-CD1 3.86Å; L682-I686 VanDerWaalsContact O-CG1 3.27Å; L682-I686 WeakPolarHBondContact O-CG1 3.4Å; L682-I686 PolarHBondContact O-N 3.47Å; Y683-I686 PolarHBondContact O-N 2.91Å |
| 687 | F | 84.4 | Confident | 80.9 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -78 | -31 | -173.5 | -69.1 | -59.6 | 0 | 0 | 0 | 113.4 | Y683 E684 G690 T694 I702 A727 M728 N731 | Y683-F687 AromaticContact CD1-CE2 3.99Å; Y683-F687 HydrophobicContact CD1-CE2 3.99Å; Y683-F687 AromaticContact CG-CE2 3.94Å; Y683-F687 HydrophobicContact CG-CE2 3.94Å; Y683-F687 WeakPolarHBondContact O-CB 3.23Å; Y683-F687 WeakPolarHBondContact O-CD2 3.29Å; Y683-F687 PolarHBondContact O-N 3.45Å; E684-F687 PolarHBondContact O-N 2.95Å; F687-G690 PolarHBondContact O-N 2.88Å; F687-T694 HydrophobicContact CE1-CG2 4.36Å; F687-I702 HydrophobicContact CE2-CG2 4.32Å; F687-I702 HydrophobicContact CZ-CD1 4.12Å; F687-I702 HydrophobicContact CZ-CG2 4.35Å; F687-A727 HydrophobicContact CB-CB 4.24Å; F687-M728 HydrophobicContact CD2-CB 3.97Å; F687-M728 HydrophobicContact CD2-CG 4.25Å; F687-M728 HydrophobicContact CE1-CG 4.37Å; F687-M728 HydrophobicContact CE2-CB 4.25Å; F687-M728 HydrophobicContact CE2-CG 4.13Å; F687-M728 HydrophobicContact CE2-SD 4.07Å; F687-M728 HydrophobicContact CG-CB 4.26Å; F687-M728 HydrophobicContact CG-CG 4.47Å; F687-M728 HydrophobicContact CZ-CE 4.19Å; F687-M728 HydrophobicContact CZ-CG 4.19Å; F687-M728 HydrophobicContact CZ-SD 4.16Å; F687-N731 PolarHBondContact O-ND2 3.09Å; F687-N731 VanDerWaalsContact O-ND2 3.13Å |
| 688 | L | 81.3 | Confident | 80.4 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 53% | 0.534 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.8 | -30.9 | 176.9 | -75.3 | 179 | 0 | 0 | 0 | 113.6 | E684 G690 A727 | E684-L688 HydrophobicContact CG-CD1 3.71Å; E684-L688 HydrophobicContact CG-CG 4.3Å; E684-L688 VanDerWaalsContact O-CB 3.28Å; E684-L688 WeakPolarHBondContact O-CB 3.26Å; E684-L688 VanDerWaalsContact O-CG 3.23Å; E684-L688 WeakPolarHBondContact O-CG 3.38Å; E684-L688 PolarHBondContact O-N 2.72Å; L688-G690 PolarHBondContact O-N 2.96Å; L688-G690 VanDerWaalsContact O-N 3.15Å; L688-A727 HydrophobicContact CD2-CB 4Å; L688-A727 HydrophobicContact CG-CB 3.9Å |
| 689 | E | 77 | Confident | 79.6 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 27% | 0.271 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -9.3 | 175.7 | -65.8 | -68.8 | 146.9 | 0 | 0 | 112.1 | V626 K630 N685 K691 | V626-E689 WeakPolarHBondContact CG1-OE1 3.43Å; V626-E689 HydrophobicContact CG2-CG 4.28Å; K630-E689 WeakPolarHBondContact CE-OE1 3.46Å; K630-E689 WeakPolarHBondContact CE-OE2 3.47Å; K630-E689 IonicContact NZ-OE1 3.91Å; K630-E689 PolarHBondContact NZ-OE1 2.87Å; N685-E689 WeakPolarHBondContact O-CG 3.42Å; E689-K691 PolarHBondContact O-N 3.31Å |
| 690 | G | 60.7 | Low | 78.9 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | trans | 71.4 | -3.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | F687 L688 | F687-G690 PolarHBondContact O-N 2.88Å; L688-G690 PolarHBondContact O-N 2.96Å; L688-G690 VanDerWaalsContact O-N 3.15Å | ||
| 691 | K | 62.7 | Low | 78.4 | Confident | 129 Ų | 129 | 56.2 Ų | 56.2 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | trans | -110.2 | 13.1 | -171.9 | -64.9 | 176.8 | -171.1 | 178.7 | 0 | 114.3 | E633 E689 | E633-K691 IonicContact OE1-NZ 3.44Å; E633-K691 PolarHBondContact OE1-NZ 3.34Å; E633-K691 IonicContact OE2-NZ 2.54Å; E633-K691 PolarHBondContact OE2-NZ 2.95Å; E689-K691 PolarHBondContact O-N 3.31Å | ||
| 692 | F | 65.2 | Low | 78.1 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | trans | -89.5 | 127.7 | -178.9 | -174.4 | -102.6 | 0 | 0 | 0 | 112.2 | L651 I655 T694 | L651-F692 HydrophobicContact CD2-CD2 3.7Å; L651-F692 HydrophobicContact CD2-CE2 3.81Å; L651-F692 HydrophobicContact CG-CD2 4.37Å; L651-F692 HydrophobicContact CG-CE2 4.09Å; I655-F692 HydrophobicContact CD1-CD1 4.05Å; I655-F692 HydrophobicContact CD1-CD2 3.87Å; I655-F692 HydrophobicContact CD1-CE1 3.44Å; I655-F692 VanDerWaalsContact CD1-CE1 3.44Å; I655-F692 HydrophobicContact CD1-CE2 3.26Å; I655-F692 HydrophobicContact CD1-CG 4.25Å; I655-F692 HydrophobicContact CD1-CZ 3.03Å; F692-T694 HydrophobicContact CD1-CG2 3.68Å; F692-T694 HydrophobicContact CE1-CG2 3.31Å; F692-T694 PolarHBondContact O-N 3.35Å | ||
| 693 | Q | 65.6 | Low | 77.5 | Confident | 187 Ų | 187 | 54.9 Ų | 54.9 | 87% | 0.874 | 28% | 0.28 | S | S | * | . | trans | -89.6 | 95.7 | 171.8 | -67.6 | -176.5 | -11.5 | 0 | 0 | 109.3 | ||||
| 694 | T | 67.8 | Low | 77.2 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | trans | -82.7 | 142.5 | 168.6 | 16.8 | 0 | 0 | 0 | 0 | 109.2 | F687 F692 M699 | F687-T694 HydrophobicContact CE1-CG2 4.36Å; F692-T694 HydrophobicContact CD1-CG2 3.68Å; F692-T694 HydrophobicContact CE1-CG2 3.31Å; F692-T694 PolarHBondContact O-N 3.35Å; T694-M699 HydrophobicContact CG2-CB 4.47Å | ||
| 695 | S | 73.3 | Confident | 77 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | trans | -71.7 | 154.4 | 160.3 | 69.4 | 0 | 0 | 0 | 0 | 110 | E697 Q698 M699 | S695-E697 VanDerWaalsContact C-N 3.27Å; S695-E697 PolarHBondContact O-N 3.5Å; S695-Q698 PolarHBondContact O-N 3.18Å; S695-Q698 WeakPolarHBondContact OG-CB 3.29Å; S695-Q698 PolarHBondContact OG-N 3.21Å; S695-M699 WeakPolarHBondContact O-CB 3.37Å; S695-M699 PolarHBondContact O-N 3.36Å | ||
| 696 | Y | 70.7 | Confident | 77 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.1 | -45.2 | 174.8 | 173.1 | -88.1 | 0 | 0 | 0 | 111.7 | Q698 M699 H700 F735 E743 I744 | Y696-Q698 PolarHBondContact O-N 2.86Å; Y696-M699 WeakPolarHBondContact O-CB 3.49Å; Y696-M699 PolarHBondContact O-N 2.78Å; Y696-H700 HydrophobicContact CE1-CB 4.34Å; Y696-H700 WeakPolarHBondContact O-CB 3.45Å; Y696-H700 PolarHBondContact O-N 3.49Å; Y696-F735 HydrophobicContact CD2-CE1 4.21Å; Y696-F735 HydrophobicContact CD2-CZ 4.44Å; Y696-E743 HydrophobicContact CD2-CB 4.49Å; Y696-E743 HydrophobicContact CE2-CB 3.71Å; Y696-E743 PolarHBondContact OH-O 3.29Å; Y696-I744 HydrophobicContact CD2-CG1 4.35Å; Y696-I744 HydrophobicContact CE2-CD1 4.4Å; Y696-I744 HydrophobicContact CE2-CG1 3.6Å |
| 697 | E | 74.8 | Confident | 77 | Confident | 161 Ų | 161 | 57 Ų | 57 | 75% | 0.752 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | -178.9 | -64.4 | -178.2 | 170.8 | 0 | 0 | 112.2 | S695 H700 S701 | S695-E697 VanDerWaalsContact C-N 3.27Å; S695-E697 PolarHBondContact O-N 3.5Å; E697-H700 PolarHBondContact O-N 3.1Å; E697-S701 WeakPolarHBondContact O-CB 3.38Å; E697-S701 PolarHBondContact O-N 2.98Å |
| 698 | Q | 79.6 | Confident | 77.1 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 177.4 | -167.8 | 177.4 | 41.6 | 0 | 0 | 110.6 | I655 D656 S695 Y696 S701 I702 | I655-Q698 HydrophobicContact CG2-CG 4.48Å; D656-Q698 PolarHBondContact OD1-NE2 3.29Å; S695-Q698 PolarHBondContact O-N 3.18Å; S695-Q698 WeakPolarHBondContact OG-CB 3.29Å; S695-Q698 PolarHBondContact OG-N 3.21Å; Y696-Q698 PolarHBondContact O-N 2.86Å; Q698-S701 PolarHBondContact O-N 3.04Å; Q698-I702 HydrophobicContact CG-CD1 4.09Å; Q698-I702 VanDerWaalsContact O-CG1 3.26Å; Q698-I702 WeakPolarHBondContact O-CG1 3.36Å; Q698-I702 PolarHBondContact O-N 3.25Å |
| 699 | M | 77.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 176.9 | -163.2 | 175.3 | -153.6 | 0 | 0 | 111.9 | T694 S695 Y696 I702 L703 M728 M732 F735 | T694-M699 HydrophobicContact CG2-CB 4.47Å; S695-M699 WeakPolarHBondContact O-CB 3.37Å; S695-M699 PolarHBondContact O-N 3.36Å; Y696-M699 WeakPolarHBondContact O-CB 3.49Å; Y696-M699 PolarHBondContact O-N 2.78Å; M699-I702 PolarHBondContact O-N 3.15Å; M699-L703 PolarHBondContact O-N 3.32Å; M699-M728 HydrophobicContact CB-CE 4.2Å; M699-M728 HydrophobicContact CE-CE 4.1Å; M699-M728 HydrophobicContact CE-CG 4.02Å; M699-M728 HydrophobicContact CG-CE 3.28Å; M699-M728 WeakPolarHBondContact O-CE 3.3Å; M699-M732 HydrophobicContact CE-CB 4.22Å; M699-M732 HydrophobicContact CE-CE 3.74Å; M699-M732 HydrophobicContact CE-CG 3.15Å; M699-M732 HydrophobicContact CE-SD 4.33Å; M699-M732 HydrophobicContact CG-CE 3.78Å; M699-M732 HydrophobicContact SD-CE 3.53Å; M699-M732 VanDerWaalsContact SD-CE 3.53Å; M699-M732 HydrophobicContact SD-CG 3.94Å; M699-F735 HydrophobicContact SD-CD1 4.46Å; M699-F735 HydrophobicContact SD-CG 4.36Å |
| 700 | H | 78.3 | Confident | 77.9 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.4 | -172.5 | 70.7 | 0 | 0 | 0 | 111.7 | Y696 E697 I702 L703 Q704 | Y696-H700 HydrophobicContact CE1-CB 4.34Å; Y696-H700 WeakPolarHBondContact O-CB 3.45Å; Y696-H700 PolarHBondContact O-N 3.49Å; E697-H700 PolarHBondContact O-N 3.1Å; H700-I702 VanDerWaalsContact C-N 3.33Å; H700-I702 PolarHBondContact O-N 3.28Å; H700-L703 PolarHBondContact O-N 3.35Å; H700-Q704 PolarHBondContact O-N 3.28Å |
| 701 | S | 82.7 | Confident | 79.2 | Confident | 54 Ų | 54 | 57 Ų | 57 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | E697 Q698 L705 | E697-S701 WeakPolarHBondContact O-CB 3.38Å; E697-S701 PolarHBondContact O-N 2.98Å; Q698-S701 PolarHBondContact O-N 3.04Å; S701-L705 WeakPolarHBondContact O-CB 3.37Å; S701-L705 PolarHBondContact O-N 2.65Å; S701-L705 VanDerWaalsContact O-N 3.13Å |
| 702 | I | 85.1 | Confident | 80.3 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 178.6 | -67.1 | 166.7 | 0 | 0 | 0 | 110.6 | I655 Y683 F687 Q698 M699 H700 Q704 L705 L706 M728 | I655-I702 HydrophobicContact CG2-CD1 3.73Å; Y683-I702 HydrophobicContact CD2-CG2 4.11Å; Y683-I702 HydrophobicContact CE1-CD1 4.37Å; Y683-I702 HydrophobicContact CE2-CG2 3.67Å; F687-I702 HydrophobicContact CE2-CG2 4.32Å; F687-I702 HydrophobicContact CZ-CD1 4.12Å; F687-I702 HydrophobicContact CZ-CG2 4.35Å; Q698-I702 HydrophobicContact CG-CD1 4.09Å; Q698-I702 VanDerWaalsContact O-CG1 3.26Å; Q698-I702 WeakPolarHBondContact O-CG1 3.36Å; Q698-I702 PolarHBondContact O-N 3.25Å; M699-I702 PolarHBondContact O-N 3.15Å; H700-I702 VanDerWaalsContact C-N 3.33Å; H700-I702 PolarHBondContact O-N 3.28Å; I702-Q704 VanDerWaalsContact C-N 3.34Å; I702-Q704 PolarHBondContact O-N 2.85Å; I702-L705 PolarHBondContact O-N 2.96Å; I702-L706 HydrophobicContact CG2-CD1 4.01Å; I702-L706 HydrophobicContact CG2-CG 4.29Å; I702-L706 WeakPolarHBondContact O-CG 3.46Å; I702-L706 PolarHBondContact O-N 3.27Å; I702-M728 HydrophobicContact CB-CE 3.89Å; I702-M728 HydrophobicContact CB-SD 4.42Å; I702-M728 HydrophobicContact CG2-CE 3.89Å; I702-M728 HydrophobicContact CG2-SD 3.77Å |
| 703 | L | 82.7 | Confident | 81 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 176.3 | -81 | -175.2 | 0 | 0 | 0 | 111.6 | M699 H700 L705 L706 E707 Y725 M728 M732 L746 | M699-L703 PolarHBondContact O-N 3.32Å; H700-L703 PolarHBondContact O-N 3.35Å; L703-L705 VanDerWaalsContact C-N 3.29Å; L703-L705 PolarHBondContact O-N 3.44Å; L703-L706 PolarHBondContact O-N 3.02Å; L703-E707 WeakPolarHBondContact O-CG 3.46Å; L703-E707 PolarHBondContact O-N 2.9Å; L703-Y725 HydrophobicContact CD2-CD2 3.88Å; L703-Y725 HydrophobicContact CD2-CE2 3.45Å; L703-Y725 VanDerWaalsContact CD2-CE2 3.45Å; L703-M728 HydrophobicContact CD2-CE 3.91Å; L703-M728 HydrophobicContact CD2-CG 4.16Å; L703-M728 HydrophobicContact CD2-SD 3.44Å; L703-M728 WeakPolarHBondContact CD2-SD 3.33Å; L703-M728 HydrophobicContact CG-CE 3.65Å; L703-M728 HydrophobicContact CG-SD 3.87Å; L703-M732 HydrophobicContact CD1-CE 3.14Å; L703-M732 HydrophobicContact CD1-SD 3.91Å; L703-M732 HydrophobicContact CD2-CE 4.45Å; L703-M732 HydrophobicContact CG-CE 3.95Å; L703-L746 HydrophobicContact CD1-CD1 4.25Å |
| 704 | Q | 84.5 | Confident | 82 | Confident | 98 Ų | 98 | 48.2 Ų | 48.2 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 179.4 | -175.2 | -179.7 | -10.5 | 0 | 0 | 110.9 | H700 I702 L706 E707 E708 | H700-Q704 PolarHBondContact O-N 3.28Å; I702-Q704 VanDerWaalsContact C-N 3.34Å; I702-Q704 PolarHBondContact O-N 2.85Å; Q704-L706 PolarHBondContact O-N 3.07Å; Q704-E707 PolarHBondContact O-N 3.44Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.38Å; Q704-E708 PolarHBondContact NE2-OE1 3.4Å; Q704-E708 WeakPolarHBondContact O-CB 3.38Å; Q704-E708 WeakPolarHBondContact O-CG 3.49Å; Q704-E708 PolarHBondContact O-N 3.11Å |
| 705 | L | 87.3 | Confident | 82.9 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -43 | 177.9 | -174.8 | 66.8 | 0 | 0 | 0 | 112.4 | P658 E662 W676 S701 I702 L703 S709 | P658-L705 HydrophobicContact CB-CD2 3.67Å; E662-L705 HydrophobicContact CG-CD1 4.47Å; W676-L705 HydrophobicContact CH2-CD1 3.83Å; W676-L705 HydrophobicContact CH2-CD2 3.98Å; W676-L705 HydrophobicContact CH2-CG 3.7Å; W676-L705 HydrophobicContact CZ2-CD1 4.47Å; W676-L705 HydrophobicContact CZ3-CD2 4.37Å; W676-L705 HydrophobicContact CZ3-CG 4.29Å; S701-L705 WeakPolarHBondContact O-CB 3.37Å; S701-L705 PolarHBondContact O-N 2.65Å; S701-L705 VanDerWaalsContact O-N 3.13Å; I702-L705 PolarHBondContact O-N 2.96Å; L703-L705 VanDerWaalsContact C-N 3.29Å; L703-L705 PolarHBondContact O-N 3.44Å; L705-S709 WeakPolarHBondContact O-CB 3.28Å; L705-S709 PolarHBondContact O-N 2.88Å; L705-S709 PolarHBondContact O-OG 3.12Å |
| 706 | L | 88.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 177.2 | -69.5 | 177.2 | 0 | 0 | 0 | 111.8 | Y683 I702 L703 Q704 S709 M710 I721 A724 Y725 M728 | Y683-L706 HydrophobicContact CD2-CD1 4.47Å; Y683-L706 HydrophobicContact CD2-CD2 4.09Å; Y683-L706 HydrophobicContact CE2-CD2 4.46Å; I702-L706 HydrophobicContact CG2-CD1 4.01Å; I702-L706 HydrophobicContact CG2-CG 4.29Å; I702-L706 WeakPolarHBondContact O-CG 3.46Å; I702-L706 PolarHBondContact O-N 3.27Å; L703-L706 PolarHBondContact O-N 3.02Å; Q704-L706 PolarHBondContact O-N 3.07Å; L706-S709 PolarHBondContact O-N 3.26Å; L706-M710 WeakPolarHBondContact O-CB 3.46Å; L706-M710 PolarHBondContact O-N 2.92Å; L706-I721 HydrophobicContact CB-CG2 4.08Å; L706-I721 HydrophobicContact CD2-CD1 3.75Å; L706-I721 HydrophobicContact CD2-CG2 4.04Å; L706-I721 WeakPolarHBondContact O-CG2 3.41Å; L706-A724 HydrophobicContact CD1-CB 4.36Å; L706-A724 HydrophobicContact CD2-CB 4.36Å; L706-Y725 HydrophobicContact CB-CD2 3.97Å; L706-Y725 HydrophobicContact CD1-CD2 4.38Å; L706-M728 HydrophobicContact CD1-SD 4.11Å |
| 707 | E | 87.9 | Confident | 84.4 | Confident | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 176.6 | -71.3 | -172 | -173.1 | 0 | 0 | 111.7 | L703 Q704 S709 M710 F711 Y725 K751 I770 | L703-E707 WeakPolarHBondContact O-CG 3.46Å; L703-E707 PolarHBondContact O-N 2.9Å; Q704-E707 PolarHBondContact O-N 3.44Å; E707-S709 VanDerWaalsContact C-N 3.26Å; E707-S709 PolarHBondContact O-N 2.84Å; E707-M710 WeakPolarHBondContact O-CB 3.06Å; E707-M710 PolarHBondContact O-N 2.87Å; E707-M710 VanDerWaalsContact O-N 3.15Å; E707-F711 WeakPolarHBondContact O-CD2 3.23Å; E707-F711 WeakPolarHBondContact O-CE2 3.4Å; E707-Y725 HydrophobicContact CG-CD2 4.35Å; E707-Y725 HydrophobicContact CG-CE2 3.5Å; E707-Y725 PolarHBondContact OE1-OH 3.27Å; E707-K751 WeakPolarHBondContact OE2-CE 3.16Å; E707-K751 IonicContact OE2-NZ 2.71Å; E707-K751 PolarHBondContact OE2-NZ 3.22Å; E707-I770 HydrophobicContact CB-CD1 4.29Å; E707-I770 HydrophobicContact CG-CD1 4.11Å; E707-I770 HydrophobicContact CG-CG1 4.48Å |
| 708 | E | 87.1 | Confident | 85.2 | Confident | 113 Ų | 113 | 42.6 Ų | 42.6 | 53% | 0.528 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.4 | -41.9 | 176.6 | -73.2 | 175.7 | -167.9 | 0 | 0 | 111.1 | Q704 M710 F711 | Q704-E708 WeakPolarHBondContact CG-OE1 3.38Å; Q704-E708 PolarHBondContact NE2-OE1 3.4Å; Q704-E708 WeakPolarHBondContact O-CB 3.38Å; Q704-E708 WeakPolarHBondContact O-CG 3.49Å; Q704-E708 PolarHBondContact O-N 3.11Å; E708-M710 PolarHBondContact O-N 2.92Å; E708-F711 PolarHBondContact O-N 3.24Å |
| 709 | S | 87.1 | Confident | 85.6 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70 | -29.3 | 178.5 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | W676 L705 L706 E707 F711 S712 | W676-S709 WeakPolarHBondContact CH2-OG 3.38Å; W676-S709 WeakPolarHBondContact CZ2-OG 3.46Å; L705-S709 WeakPolarHBondContact O-CB 3.28Å; L705-S709 PolarHBondContact O-N 2.88Å; L705-S709 PolarHBondContact O-OG 3.12Å; L706-S709 PolarHBondContact O-N 3.26Å; E707-S709 VanDerWaalsContact C-N 3.26Å; E707-S709 PolarHBondContact O-N 2.84Å; S709-F711 PolarHBondContact O-N 3.44Å; S709-S712 VanDerWaalsContact O-CB 3.24Å; S709-S712 WeakPolarHBondContact O-CB 3.28Å; S709-S712 PolarHBondContact O-N 2.92Å; S709-S712 VanDerWaalsContact O-N 3.09Å |
| 710 | M | 88.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.4 | -18.7 | 178.5 | -159.7 | 177.4 | -61.1 | 0 | 0 | 112.7 | L706 E707 E708 S712 R718 I721 Y725 A766 M769 I770 | L706-M710 WeakPolarHBondContact O-CB 3.46Å; L706-M710 PolarHBondContact O-N 2.92Å; E707-M710 WeakPolarHBondContact O-CB 3.06Å; E707-M710 PolarHBondContact O-N 2.87Å; E707-M710 VanDerWaalsContact O-N 3.15Å; E708-M710 PolarHBondContact O-N 2.92Å; M710-S712 PolarHBondContact O-N 3.44Å; M710-R718 WeakPolarHBondContact O-CD 3.42Å; M710-R718 VanDerWaalsContact O-CG 3.24Å; M710-R718 WeakPolarHBondContact O-CG 3.33Å; M710-I721 HydrophobicContact CB-CG2 3.97Å; M710-I721 HydrophobicContact CE-CG2 3.9Å; M710-I721 HydrophobicContact CG-CG2 4.4Å; M710-Y725 HydrophobicContact CE-CD2 4.43Å; M710-Y725 HydrophobicContact CE-CG 4.12Å; M710-A766 HydrophobicContact CG-CB 4.3Å; M710-A766 VanDerWaalsContact O-CB 3.22Å; M710-A766 WeakPolarHBondContact O-CB 3.11Å; M710-M769 HydrophobicContact SD-CB 3.53Å; M710-M769 VanDerWaalsContact SD-CB 3.53Å; M710-I770 HydrophobicContact CE-CG1 4.13Å; M710-I770 HydrophobicContact SD-CD1 4.46Å; M710-I770 HydrophobicContact SD-CG1 3.52Å; M710-I770 VanDerWaalsContact SD-CG1 3.52Å |
| 711 | F | 87.4 | Confident | 86.8 | Confident | 71 Ų | 71 | 41.3 Ų | 41.3 | 31% | 0.311 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 5.3 | 171.8 | -69.3 | -80 | 0 | 0 | 0 | 113.9 | E707 E708 S709 R763 A766 I770 | E707-F711 WeakPolarHBondContact O-CD2 3.23Å; E707-F711 WeakPolarHBondContact O-CE2 3.4Å; E708-F711 PolarHBondContact O-N 3.24Å; S709-F711 PolarHBondContact O-N 3.44Å; F711-R763 HydrophobicContact CD1-CB 4.47Å; F711-R763 HydrophobicContact CD1-CG 4.36Å; F711-A766 HydrophobicContact CD1-CB 3.68Å; F711-A766 HydrophobicContact CE1-CB 3.86Å; F711-A766 HydrophobicContact CG-CB 4.19Å; F711-A766 HydrophobicContact CZ-CB 4.5Å; F711-I770 HydrophobicContact CE2-CD1 4.13Å; F711-I770 HydrophobicContact CZ-CD1 4.2Å |
| 712 | S | 84.7 | Confident | 87.2 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | trans | -53.4 | 140.6 | 171.8 | 178.9 | 0 | 0 | 0 | 0 | 112 | S709 M710 D714 R718 | S709-S712 VanDerWaalsContact O-CB 3.24Å; S709-S712 WeakPolarHBondContact O-CB 3.28Å; S709-S712 PolarHBondContact O-N 2.92Å; S709-S712 VanDerWaalsContact O-N 3.09Å; M710-S712 PolarHBondContact O-N 3.44Å; S712-D714 PolarHBondContact O-N 3.39Å; S712-D714 PolarHBondContact OG-N 3.04Å; S712-D714 VanDerWaalsContact OG-N 3.17Å; S712-R718 WeakPolarHBondContact O-CD 3.32Å; S712-R718 WeakPolarHBondContact O-CG 3.36Å; S712-R718 PolarHBondContact O-NH1 2.95Å | ||
| 713 | S | 81.5 | Confident | 87.4 | Confident | 98 Ų | 98 | 44.1 Ų | 44.1 | 69% | 0.685 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -67.7 | -19 | 172.8 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | R718 | S713-R718 PolarHBondContact O-NH1 3.5Š|
| 714 | D | 86.5 | Confident | 87.7 | Confident | 51 Ų | 51 | 43.9 Ų | 43.9 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | trans | -83.8 | 121.8 | -179.2 | -168.5 | -56 | 0 | 0 | 0 | 112.1 | S712 K716 V717 R718 | S712-D714 PolarHBondContact O-N 3.39Å; S712-D714 PolarHBondContact OG-N 3.04Å; S712-D714 VanDerWaalsContact OG-N 3.17Å; D714-K716 PolarHBondContact O-N 3.09Å; D714-K716 WeakPolarHBondContact OD1-CB 3.35Å; D714-K716 PolarHBondContact OD1-N 2.86Å; D714-V717 HydrophobicContact CB-CB 4.21Å; D714-V717 HydrophobicContact CB-CG2 3.89Å; D714-V717 PolarHBondContact O-N 3.03Å; D714-V717 PolarHBondContact OD1-N 3.45Å; D714-R718 WeakPolarHBondContact O-CG 2.85Å; D714-R718 PolarHBondContact O-N 3.22Å; D714-R718 VanDerWaalsContact O-N 3.13Å | ||
| 715 | S | 85.9 | Confident | 87.9 | Confident | 50 Ų | 50 | 39.4 Ų | 39.4 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.9 | -32.3 | -177.5 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | V717 R718 L719 | S715-V717 VanDerWaalsContact C-N 3.35Å; S715-R718 PolarHBondContact O-N 3.43Å; S715-L719 WeakPolarHBondContact O-CB 3.45Å; S715-L719 VanDerWaalsContact O-CG 3.32Å; S715-L719 WeakPolarHBondContact O-CG 3.11Å; S715-L719 PolarHBondContact O-N 3.45Å |
| 716 | K | 88 | Confident | 87.6 | Confident | 133 Ų | 133 | 43.2 Ų | 43.2 | 58% | 0.578 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -67.1 | -40.4 | 178 | -66.6 | -176.5 | 179 | -179.3 | 0 | 110.9 | M673 D714 A720 | M673-K716 HydrophobicContact CG-CB 4.49Å; M673-K716 HydrophobicContact SD-CD 3.94Å; D714-K716 PolarHBondContact O-N 3.09Å; D714-K716 WeakPolarHBondContact OD1-CB 3.35Å; D714-K716 PolarHBondContact OD1-N 2.86Å; K716-A720 WeakPolarHBondContact O-CB 3.26Å; K716-A720 PolarHBondContact O-N 2.91Å |
| 717 | V | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -52.1 | 173.2 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | M673 W676 D714 S715 L719 A720 I721 | M673-V717 VanDerWaalsContact CA-CG2 3.47Å; M673-V717 HydrophobicContact CB-CG2 4.02Å; M673-V717 HydrophobicContact CG-CG2 4.02Å; W676-V717 HydrophobicContact CB-CG1 3.82Å; W676-V717 HydrophobicContact CB-CG2 4.36Å; W676-V717 HydrophobicContact CG-CG1 4.19Å; D714-V717 HydrophobicContact CB-CB 4.21Å; D714-V717 HydrophobicContact CB-CG2 3.89Å; D714-V717 PolarHBondContact O-N 3.03Å; D714-V717 PolarHBondContact OD1-N 3.45Å; S715-V717 VanDerWaalsContact C-N 3.35Å; V717-L719 VanDerWaalsContact C-N 3.32Å; V717-L719 PolarHBondContact O-N 3.05Å; V717-A720 PolarHBondContact O-N 3.32Å; V717-I721 HydrophobicContact CG1-CG1 3.93Å; V717-I721 WeakPolarHBondContact O-CB 3.32Å; V717-I721 WeakPolarHBondContact O-CG1 3.22Å; V717-I721 PolarHBondContact O-N 3.33Å |
| 718 | R | 89.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.8 | -48.6 | 179.7 | -65.5 | -161.9 | -65 | -82 | 0.6 | 112 | M710 S712 S713 D714 S715 I721 S722 M769 E805 | M710-R718 WeakPolarHBondContact O-CD 3.42Å; M710-R718 VanDerWaalsContact O-CG 3.24Å; M710-R718 WeakPolarHBondContact O-CG 3.33Å; S712-R718 WeakPolarHBondContact O-CD 3.32Å; S712-R718 WeakPolarHBondContact O-CG 3.36Å; S712-R718 PolarHBondContact O-NH1 2.95Å; S713-R718 PolarHBondContact O-NH1 3.5Å; D714-R718 WeakPolarHBondContact O-CG 2.85Å; D714-R718 PolarHBondContact O-N 3.22Å; D714-R718 VanDerWaalsContact O-N 3.13Å; S715-R718 PolarHBondContact O-N 3.43Å; R718-I721 PolarHBondContact O-N 3.25Å; R718-S722 WeakPolarHBondContact O-CB 3.42Å; R718-S722 PolarHBondContact O-N 2.92Å; R718-S722 PolarHBondContact O-OG 2.91Å; R718-M769 VanDerWaalsContact C-CE 3.48Å; R718-M769 HydrophobicContact CB-CE 4.05Å; R718-M769 HydrophobicContact CB-SD 3.88Å; R718-M769 VanDerWaalsContact O-CE 3.32Å; R718-M769 WeakPolarHBondContact O-CE 3.41Å; R718-E805 IonicContact CZ-OE1 2.86Å; R718-E805 IonicContact NH2-OE1 3.39Å; R718-E805 PolarHBondContact NH2-OE1 3.24Å; R718-E805 IonicContact NH2-OE2 3.85Å |
| 719 | L | 88.5 | Confident | 86.4 | Confident | 101 Ų | 101 | 37 Ų | 37 | 53% | 0.529 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 179.8 | -73.1 | 168.5 | 0 | 0 | 0 | 112 | S715 V717 S722 R723 M769 | S715-L719 WeakPolarHBondContact O-CB 3.45Å; S715-L719 VanDerWaalsContact O-CG 3.32Å; S715-L719 WeakPolarHBondContact O-CG 3.11Å; S715-L719 PolarHBondContact O-N 3.45Å; V717-L719 VanDerWaalsContact C-N 3.32Å; V717-L719 PolarHBondContact O-N 3.05Å; L719-S722 PolarHBondContact O-N 3.3Å; L719-S722 PolarHBondContact O-OG 3.02Å; L719-R723 PolarHBondContact O-N 3.07Å; L719-R723 VanDerWaalsContact O-N 3.17Å; L719-M769 HydrophobicContact CD2-CE 3.79Å; L719-M769 HydrophobicContact CG-CE 4.22Å |
| 720 | A | 90.1 | Very high | 85.5 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T677 A680 K716 V717 S722 R723 A724 | T677-A720 HydrophobicContact CG2-CB 3.92Å; A680-A720 VanDerWaalsContact CB-C 3.41Å; A680-A720 HydrophobicContact CB-CB 3.64Å; A680-A720 WeakPolarHBondContact CB-O 3.44Å; K716-A720 WeakPolarHBondContact O-CB 3.26Å; K716-A720 PolarHBondContact O-N 2.91Å; V717-A720 PolarHBondContact O-N 3.32Å; A720-S722 VanDerWaalsContact C-N 3.28Å; A720-S722 PolarHBondContact O-N 3.13Å; A720-R723 WeakPolarHBondContact O-CB 3.24Å; A720-R723 PolarHBondContact O-N 3.07Å; A720-A724 PolarHBondContact O-N 3.3Å; A720-A724 VanDerWaalsContact O-N 3.15Å |
| 721 | I | 91.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 178.3 | -65 | -68 | 0 | 0 | 0 | 111.4 | W676 A680 L706 M710 V717 R718 R723 A724 Y725 | W676-I721 HydrophobicContact CB-CD1 4.34Å; W676-I721 HydrophobicContact CD2-CD1 4.25Å; W676-I721 HydrophobicContact CE3-CD1 3.63Å; W676-I721 HydrophobicContact CZ3-CD1 4.32Å; A680-I721 HydrophobicContact CB-CD1 4.29Å; L706-I721 HydrophobicContact CB-CG2 4.08Å; L706-I721 HydrophobicContact CD2-CD1 3.75Å; L706-I721 HydrophobicContact CD2-CG2 4.04Å; L706-I721 WeakPolarHBondContact O-CG2 3.41Å; M710-I721 HydrophobicContact CB-CG2 3.97Å; M710-I721 HydrophobicContact CE-CG2 3.9Å; M710-I721 HydrophobicContact CG-CG2 4.4Å; V717-I721 HydrophobicContact CG1-CG1 3.93Å; V717-I721 WeakPolarHBondContact O-CB 3.32Å; V717-I721 WeakPolarHBondContact O-CG1 3.22Å; V717-I721 PolarHBondContact O-N 3.33Å; R718-I721 PolarHBondContact O-N 3.25Å; I721-R723 VanDerWaalsContact C-N 3.35Å; I721-R723 PolarHBondContact O-N 3.27Å; I721-A724 PolarHBondContact O-N 3.34Å; I721-Y725 VanDerWaalsContact O-CB 3.29Å; I721-Y725 WeakPolarHBondContact O-CB 3.24Å; I721-Y725 PolarHBondContact O-N 2.92Å |
| 722 | S | 89.8 | Confident | 83.5 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -33.5 | 175.1 | 71.1 | 0 | 0 | 0 | 0 | 113.9 | R718 L719 A720 Y725 R726 M769 | R718-S722 WeakPolarHBondContact O-CB 3.42Å; R718-S722 PolarHBondContact O-N 2.92Å; R718-S722 PolarHBondContact O-OG 2.91Å; L719-S722 PolarHBondContact O-N 3.3Å; L719-S722 PolarHBondContact O-OG 3.02Å; A720-S722 VanDerWaalsContact C-N 3.28Å; A720-S722 PolarHBondContact O-N 3.13Å; S722-Y725 PolarHBondContact O-N 2.97Å; S722-R726 VanDerWaalsContact O-CB 3.28Å; S722-R726 WeakPolarHBondContact O-CB 3.35Å; S722-R726 PolarHBondContact O-N 3.41Å; S722-M769 VanDerWaalsContact OG-CE 3.26Å; S722-M769 WeakPolarHBondContact OG-CE 3.38Å |
| 723 | R | 89.4 | Confident | 82.4 | Confident | 101 Ų | 101 | 39.3 Ų | 39.3 | 38% | 0.381 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -49 | 172.6 | -70.2 | -174 | -71.2 | 134.3 | -0.3 | 110.6 | D681 E684 L719 A720 I721 Y725 R726 A727 | D681-R723 IonicContact OD1-CZ 3.19Å; D681-R723 IonicContact OD1-NH1 2.62Å; D681-R723 PolarHBondContact OD1-NH1 2.76Å; D681-R723 IonicContact OD1-NH2 2.82Å; D681-R723 PolarHBondContact OD1-NH2 2.96Å; E684-R723 IonicContact OE2-CZ 3.58Å; E684-R723 IonicContact OE2-NE 2.8Å; E684-R723 IonicContact OE2-NH1 2.73Å; E684-R723 PolarHBondContact OE2-NH1 2.81Å; L719-R723 PolarHBondContact O-N 3.07Å; L719-R723 VanDerWaalsContact O-N 3.17Å; A720-R723 WeakPolarHBondContact O-CB 3.24Å; A720-R723 PolarHBondContact O-N 3.07Å; I721-R723 VanDerWaalsContact C-N 3.35Å; I721-R723 PolarHBondContact O-N 3.27Å; R723-Y725 PolarHBondContact O-N 2.88Å; R723-R726 PolarHBondContact O-N 3.18Å; R723-A727 WeakPolarHBondContact O-CB 3.13Å; R723-A727 PolarHBondContact O-N 2.85Å |
| 724 | A | 89.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A680 L706 A720 I721 R726 A727 M728 | A680-A724 HydrophobicContact CB-CB 4.07Å; L706-A724 HydrophobicContact CD1-CB 4.36Å; L706-A724 HydrophobicContact CD2-CB 4.36Å; A720-A724 PolarHBondContact O-N 3.3Å; A720-A724 VanDerWaalsContact O-N 3.15Å; I721-A724 PolarHBondContact O-N 3.34Å; A724-R726 PolarHBondContact O-N 3.13Å; A724-A727 PolarHBondContact O-N 3.18Å; A724-M728 WeakPolarHBondContact O-CB 3.42Å; A724-M728 PolarHBondContact O-N 3.47Å |
| 725 | Y | 88 | Confident | 79.9 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 178.5 | -166.9 | -86.1 | 0 | 0 | 0 | 112 | L703 L706 E707 M710 I721 S722 R723 M728 G729 L746 I770 L774 | L703-Y725 HydrophobicContact CD2-CD2 3.88Å; L703-Y725 HydrophobicContact CD2-CE2 3.45Å; L703-Y725 VanDerWaalsContact CD2-CE2 3.45Å; L706-Y725 HydrophobicContact CB-CD2 3.97Å; L706-Y725 HydrophobicContact CD1-CD2 4.38Å; E707-Y725 HydrophobicContact CG-CD2 4.35Å; E707-Y725 HydrophobicContact CG-CE2 3.5Å; E707-Y725 PolarHBondContact OE1-OH 3.27Å; M710-Y725 HydrophobicContact CE-CD2 4.43Å; M710-Y725 HydrophobicContact CE-CG 4.12Å; I721-Y725 VanDerWaalsContact O-CB 3.29Å; I721-Y725 WeakPolarHBondContact O-CB 3.24Å; I721-Y725 PolarHBondContact O-N 2.92Å; S722-Y725 PolarHBondContact O-N 2.97Å; R723-Y725 PolarHBondContact O-N 2.88Å; Y725-M728 WeakPolarHBondContact O-CB 3.4Å; Y725-M728 PolarHBondContact O-N 2.98Å; Y725-G729 PolarHBondContact O-N 3.49Å; Y725-L746 WeakPolarHBondContact OH-CD2 3.35Å; Y725-I770 HydrophobicContact CE1-CG2 4.46Å; Y725-L774 HydrophobicContact CE1-CD2 4.01Å |
| 726 | R | 81.7 | Confident | 78.4 | Confident | 102 Ų | 102 | 38.2 Ų | 38.2 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.9 | -42 | 175.2 | -177.1 | -178 | 179 | 163.8 | 5.3 | 112.8 | S722 R723 A724 M728 G729 T730 N816 | S722-R726 VanDerWaalsContact O-CB 3.28Å; S722-R726 WeakPolarHBondContact O-CB 3.35Å; S722-R726 PolarHBondContact O-N 3.41Å; R723-R726 PolarHBondContact O-N 3.18Å; A724-R726 PolarHBondContact O-N 3.13Å; R726-M728 VanDerWaalsContact C-N 3.26Å; R726-M728 PolarHBondContact O-N 3.29Å; R726-G729 PolarHBondContact O-N 2.82Å; R726-T730 PolarHBondContact O-N 3.38Å; R726-T730 PolarHBondContact O-OG1 3.27Å; R726-N816 VanDerWaalsContact NH1-CG 3.33Å; R726-N816 PolarHBondContact NH1-OD1 3.29Å |
| 727 | A | 83.4 | Confident | 76.9 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E684 F687 L688 R723 A724 T730 N731 | E684-A727 HydrophobicContact CB-CB 4.48Å; E684-A727 HydrophobicContact CG-CB 4.21Å; F687-A727 HydrophobicContact CB-CB 4.24Å; L688-A727 HydrophobicContact CD2-CB 4Å; L688-A727 HydrophobicContact CG-CB 3.9Å; R723-A727 WeakPolarHBondContact O-CB 3.13Å; R723-A727 PolarHBondContact O-N 2.85Å; A724-A727 PolarHBondContact O-N 3.18Å; A727-T730 PolarHBondContact O-N 3.11Å; A727-N731 PolarHBondContact O-N 2.97Å; A727-N731 VanDerWaalsContact O-N 3.14Å |
| 728 | M | 80.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.7 | -169.1 | 175.3 | -174.9 | 0 | 0 | 112.7 | F687 M699 I702 L703 L706 A724 Y725 R726 T730 N731 M732 | F687-M728 HydrophobicContact CD2-CB 3.97Å; F687-M728 HydrophobicContact CD2-CG 4.25Å; F687-M728 HydrophobicContact CE1-CG 4.37Å; F687-M728 HydrophobicContact CE2-CB 4.25Å; F687-M728 HydrophobicContact CE2-CG 4.13Å; F687-M728 HydrophobicContact CE2-SD 4.07Å; F687-M728 HydrophobicContact CG-CB 4.26Å; F687-M728 HydrophobicContact CG-CG 4.47Å; F687-M728 HydrophobicContact CZ-CE 4.19Å; F687-M728 HydrophobicContact CZ-CG 4.19Å; F687-M728 HydrophobicContact CZ-SD 4.16Å; M699-M728 HydrophobicContact CB-CE 4.2Å; M699-M728 HydrophobicContact CE-CE 4.1Å; M699-M728 HydrophobicContact CE-CG 4.02Å; M699-M728 HydrophobicContact CG-CE 3.28Å; M699-M728 WeakPolarHBondContact O-CE 3.3Å; I702-M728 HydrophobicContact CB-CE 3.89Å; I702-M728 HydrophobicContact CB-SD 4.42Å; I702-M728 HydrophobicContact CG2-CE 3.89Å; I702-M728 HydrophobicContact CG2-SD 3.77Å; L703-M728 HydrophobicContact CD2-CE 3.91Å; L703-M728 HydrophobicContact CD2-CG 4.16Å; L703-M728 HydrophobicContact CD2-SD 3.44Å; L703-M728 WeakPolarHBondContact CD2-SD 3.33Å; L703-M728 HydrophobicContact CG-CE 3.65Å; L703-M728 HydrophobicContact CG-SD 3.87Å; L706-M728 HydrophobicContact CD1-SD 4.11Å; A724-M728 WeakPolarHBondContact O-CB 3.42Å; A724-M728 PolarHBondContact O-N 3.47Å; Y725-M728 WeakPolarHBondContact O-CB 3.4Å; Y725-M728 PolarHBondContact O-N 2.98Å; R726-M728 VanDerWaalsContact C-N 3.26Å; R726-M728 PolarHBondContact O-N 3.29Å; M728-T730 VanDerWaalsContact C-N 3.28Å; M728-T730 PolarHBondContact O-N 3.15Å; M728-N731 CarbonylContact O-C 3.58Å; M728-N731 WeakPolarHBondContact O-CA 3.32Å; M728-N731 WeakPolarHBondContact O-CB 3.32Å; M728-N731 PolarHBondContact O-N 3.08Å; M728-N731 VanDerWaalsContact O-N 3.13Å; M728-M732 PolarHBondContact O-N 3.21Å |
| 729 | G | 72.4 | Confident | 73.3 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -32.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y725 R726 M732 D733 | Y725-G729 PolarHBondContact O-N 3.49Å; R726-G729 PolarHBondContact O-N 2.82Å; G729-M732 WeakPolarHBondContact O-CB 3.5Å; G729-M732 PolarHBondContact O-N 3.5Å; G729-D733 PolarHBondContact O-N 3.11Å |
| 730 | T | 69.5 | Low | 71.5 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.6 | -39 | 173.4 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | R726 A727 M728 M732 D733 | R726-T730 PolarHBondContact O-N 3.38Å; R726-T730 PolarHBondContact O-OG1 3.27Å; A727-T730 PolarHBondContact O-N 3.11Å; M728-T730 VanDerWaalsContact C-N 3.28Å; M728-T730 PolarHBondContact O-N 3.15Å; T730-M732 VanDerWaalsContact C-N 3.34Å; T730-D733 PolarHBondContact O-N 3.02Å |
| 731 | N | 68.5 | Low | 69.6 | Low | 16 Ų | 16 | 51.7 Ų | 51.7 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -33.5 | 172 | -157.8 | -44.1 | 0 | 0 | 0 | 111.4 | F687 A727 M728 D733 N734 F735 | F687-N731 PolarHBondContact O-ND2 3.09Å; F687-N731 VanDerWaalsContact O-ND2 3.13Å; A727-N731 PolarHBondContact O-N 2.97Å; A727-N731 VanDerWaalsContact O-N 3.14Å; M728-N731 CarbonylContact O-C 3.58Å; M728-N731 WeakPolarHBondContact O-CA 3.32Å; M728-N731 WeakPolarHBondContact O-CB 3.32Å; M728-N731 PolarHBondContact O-N 3.08Å; M728-N731 VanDerWaalsContact O-N 3.13Å; N731-D733 VanDerWaalsContact C-N 3.32Å; N731-D733 PolarHBondContact O-N 2.89Å; N731-N734 WeakPolarHBondContact O-CA 3.45Å; N731-N734 VanDerWaalsContact O-CB 3.32Å; N731-N734 WeakPolarHBondContact O-CB 3.43Å; N731-N734 PolarHBondContact O-N 3.32Å; N731-F735 PolarHBondContact O-N 2.83Å; N731-F735 VanDerWaalsContact O-N 3.12Å |
| 732 | M | 65.4 | Low | 67.5 | Low | 17 Ų | 17 | 57.9 Ų | 57.9 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 172.8 | -80.9 | -163.4 | 154.2 | 0 | 0 | 113.2 | M699 L703 M728 G729 T730 N734 F735 L736 I744 | M699-M732 HydrophobicContact CE-CB 4.22Å; M699-M732 HydrophobicContact CE-CE 3.74Å; M699-M732 HydrophobicContact CE-CG 3.15Å; M699-M732 HydrophobicContact CE-SD 4.33Å; M699-M732 HydrophobicContact CG-CE 3.78Å; M699-M732 HydrophobicContact SD-CE 3.53Å; M699-M732 VanDerWaalsContact SD-CE 3.53Å; M699-M732 HydrophobicContact SD-CG 3.94Å; L703-M732 HydrophobicContact CD1-CE 3.14Å; L703-M732 HydrophobicContact CD1-SD 3.91Å; L703-M732 HydrophobicContact CD2-CE 4.45Å; L703-M732 HydrophobicContact CG-CE 3.95Å; M728-M732 PolarHBondContact O-N 3.21Å; G729-M732 WeakPolarHBondContact O-CB 3.5Å; G729-M732 PolarHBondContact O-N 3.5Å; T730-M732 VanDerWaalsContact C-N 3.34Å; M732-N734 PolarHBondContact O-N 3.37Å; M732-F735 CarbonylContact O-C 3.12Å; M732-F735 WeakPolarHBondContact O-CA 3.31Å; M732-F735 PolarHBondContact O-N 3.32Å; M732-L736 WeakPolarHBondContact O-CB 3.28Å; M732-L736 VanDerWaalsContact O-CG 3.28Å; M732-L736 WeakPolarHBondContact O-CG 3.26Å; M732-L736 PolarHBondContact O-N 3.44Å; M732-I744 HydrophobicContact CE-CD1 3.62Å; M732-I744 HydrophobicContact SD-CD1 4.16Å |
| 733 | D | 60.3 | Low | 65.5 | Low | 35 Ų | 35 | 61.7 Ų | 61.7 | 19% | 0.187 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -31 | 174.8 | -86.8 | -11.2 | 0 | 0 | 0 | 111.9 | G729 T730 N731 N737 S775 K776 | G729-D733 PolarHBondContact O-N 3.11Å; T730-D733 PolarHBondContact O-N 3.02Å; N731-D733 VanDerWaalsContact C-N 3.32Å; N731-D733 PolarHBondContact O-N 2.89Å; D733-N737 PolarHBondContact O-N 3.21Å; D733-N737 PolarHBondContact O-ND2 3.04Å; D733-N737 VanDerWaalsContact O-ND2 3.12Å; D733-S775 WeakPolarHBondContact OD1-CB 3.36Å; D733-S775 PolarHBondContact OD1-OG 2.93Å; D733-K776 WeakPolarHBondContact OD2-CE 3.5Å |
| 734 | N | 59.8 | Low | 63.8 | Low | 107 Ų | 107 | 58 Ų | 58 | 57% | 0.572 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70 | -36.8 | 170.9 | -64.5 | -26.2 | 0 | 0 | 0 | 111.6 | N731 M732 | N731-N734 WeakPolarHBondContact O-CA 3.45Å; N731-N734 VanDerWaalsContact O-CB 3.32Å; N731-N734 WeakPolarHBondContact O-CB 3.43Å; N731-N734 PolarHBondContact O-N 3.32Å; M732-N734 PolarHBondContact O-N 3.37Å |
| 735 | F | 55.5 | Low | 62 | Low | 34 Ų | 34 | 64.9 Ų | 64.9 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -75 | -37.9 | 178.1 | -171.1 | -92.6 | 0 | 0 | 0 | 113.4 | Y696 M699 N731 M732 N737 S738 H740 I744 | Y696-F735 HydrophobicContact CD2-CE1 4.21Å; Y696-F735 HydrophobicContact CD2-CZ 4.44Å; M699-F735 HydrophobicContact SD-CD1 4.46Å; M699-F735 HydrophobicContact SD-CG 4.36Å; N731-F735 PolarHBondContact O-N 2.83Å; N731-F735 VanDerWaalsContact O-N 3.12Å; M732-F735 CarbonylContact O-C 3.12Å; M732-F735 WeakPolarHBondContact O-CA 3.31Å; M732-F735 PolarHBondContact O-N 3.32Å; F735-N737 PolarHBondContact O-N 2.99Å; F735-S738 WeakPolarHBondContact O-CA 3.28Å; F735-S738 WeakPolarHBondContact O-CB 3.44Å; F735-S738 PolarHBondContact O-N 3.07Å; F735-S738 PolarHBondContact O-OG 3.24Å; F735-H740 HydrophobicContact CE1-CB 3.71Å; F735-H740 HydrophobicContact CZ-CB 4Å; F735-H740 AromaticContact CZ-CD2 3.76Å; F735-I744 HydrophobicContact CD1-CD1 4.37Å |
| 736 | L | 55.3 | Low | 61 | Low | 34 Ų | 34 | 66 Ų | 66 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.5 | -17.6 | 178.3 | -71.6 | 173.3 | 0 | 0 | 0 | 112.4 | M732 S738 A741 I744 V778 | M732-L736 WeakPolarHBondContact O-CB 3.28Å; M732-L736 VanDerWaalsContact O-CG 3.28Å; M732-L736 WeakPolarHBondContact O-CG 3.26Å; M732-L736 PolarHBondContact O-N 3.44Å; L736-S738 PolarHBondContact O-N 3.4Å; L736-A741 HydrophobicContact CD2-CB 4.09Å; L736-A741 WeakPolarHBondContact O-CB 3.34Å; L736-I744 HydrophobicContact CD2-CD1 4Å; L736-V778 HydrophobicContact CD1-CG2 4.38Å |
| 737 | N | 57.1 | Low | 60.7 | Low | 147 Ų | 147 | 64.9 Ų | 64.9 | 79% | 0.786 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -5.4 | 166 | -71 | -32.2 | 0 | 0 | 0 | 112.8 | D733 F735 | D733-N737 PolarHBondContact O-N 3.21Å; D733-N737 PolarHBondContact O-ND2 3.04Å; D733-N737 VanDerWaalsContact O-ND2 3.12Å; F735-N737 PolarHBondContact O-N 2.99Å |
| 738 | S | 51.5 | Low | 60.5 | Low | 48 Ų | 48 | 64.7 Ų | 64.7 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -92.7 | 169.1 | 172.1 | 84 | 0 | 0 | 0 | 0 | 111.9 | F735 L736 H740 A741 | F735-S738 WeakPolarHBondContact O-CA 3.28Å; F735-S738 WeakPolarHBondContact O-CB 3.44Å; F735-S738 PolarHBondContact O-N 3.07Å; F735-S738 PolarHBondContact O-OG 3.24Å; L736-S738 PolarHBondContact O-N 3.4Å; S738-H740 PolarHBondContact O-N 3.29Å; S738-A741 PolarHBondContact O-N 2.99Å |
| 739 | F | 50.7 | Low | 60.7 | Low | 204 Ų | 204 | 67.4 Ų | 67.4 | 90% | 0.895 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -9 | -177 | -89.4 | -90.2 | 0 | 0 | 0 | 115.8 | ||
| 740 | H | 50.5 | Low | 61.4 | Low | 80 Ų | 80 | 72 Ų | 72 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.7 | -174.4 | -60.7 | -41.7 | 0 | 0 | 0 | 115.6 | F735 S738 T742 E743 | F735-H740 HydrophobicContact CE1-CB 3.71Å; F735-H740 HydrophobicContact CZ-CB 4Å; F735-H740 AromaticContact CZ-CD2 3.76Å; S738-H740 PolarHBondContact O-N 3.29Å; H740-T742 PolarHBondContact O-N 3.37Å; H740-T742 VanDerWaalsContact O-N 3.13Å; H740-E743 IonicContact ND1-OE2 3.09Å; H740-E743 PolarHBondContact O-N 2.75Å; H740-E743 VanDerWaalsContact O-N 3.11Å |
| 741 | A | 50.3 | Low | 62.3 | Low | 46 Ų | 46 | 69.6 Ų | 69.6 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -30.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | L736 S738 E743 | L736-A741 HydrophobicContact CD2-CB 4.09Å; L736-A741 WeakPolarHBondContact O-CB 3.34Å; S738-A741 PolarHBondContact O-N 2.99Å; A741-E743 VanDerWaalsContact C-N 3.31Å; A741-E743 PolarHBondContact O-N 2.63Å |
| 742 | T | 46.9 | Very low | 63.3 | Low | 131 Ų | 131 | 68.9 Ų | 68.9 | 80% | 0.804 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -15 | -179.5 | 41 | 0 | 0 | 0 | 0 | 114.3 | H740 | H740-T742 PolarHBondContact O-N 3.37Å; H740-T742 VanDerWaalsContact O-N 3.13Å |
| 743 | E | 49 | Very low | 64.6 | Low | 98 Ų | 98 | 71.7 Ų | 71.7 | 46% | 0.458 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -20.4 | -174.6 | -68 | 176.3 | 178 | 0 | 0 | 113.3 | Y696 H740 A741 N745 | Y696-E743 HydrophobicContact CD2-CB 4.49Å; Y696-E743 HydrophobicContact CE2-CB 3.71Å; Y696-E743 PolarHBondContact OH-O 3.29Å; H740-E743 IonicContact ND1-OE2 3.09Å; H740-E743 PolarHBondContact O-N 2.75Å; H740-E743 VanDerWaalsContact O-N 3.11Å; A741-E743 VanDerWaalsContact C-N 3.31Å; A741-E743 PolarHBondContact O-N 2.63Å; E743-N745 PolarHBondContact O-N 2.84Å; E743-N745 VanDerWaalsContact O-N 3.14Å |
| 744 | I | 53.1 | Low | 66 | Low | 24 Ų | 24 | 71.8 Ų | 71.8 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | trans | -88.9 | 79.6 | 177.7 | -54.7 | 176.5 | 0 | 0 | 0 | 108.9 | Y696 M732 F735 L736 L746 | Y696-I744 HydrophobicContact CD2-CG1 4.35Å; Y696-I744 HydrophobicContact CE2-CD1 4.4Å; Y696-I744 HydrophobicContact CE2-CG1 3.6Å; M732-I744 HydrophobicContact CE-CD1 3.62Å; M732-I744 HydrophobicContact SD-CD1 4.16Å; F735-I744 HydrophobicContact CD1-CD1 4.37Å; L736-I744 HydrophobicContact CD2-CD1 4Å; I744-L746 HydrophobicContact CG2-CB 4.48Å; I744-L746 HydrophobicContact CG2-CD1 3.43Å; I744-L746 VanDerWaalsContact CG2-CD1 3.43Å; I744-L746 PolarHBondContact O-N 2.92Å | ||
| 745 | N | 52.2 | Low | 67.5 | Low | 143 Ų | 143 | 66.7 Ų | 66.7 | 77% | 0.765 | 36% | 0.357 | S | S | * | . | trans | -81.8 | 71.1 | 170.7 | -152 | -2 | 0 | 0 | 0 | 109.5 | E743 D747 | E743-N745 PolarHBondContact O-N 2.84Å; E743-N745 VanDerWaalsContact O-N 3.14Å; N745-D747 PolarHBondContact O-N 3.46Å; N745-D747 VanDerWaalsContact O-N 3.1Å | ||
| 746 | L | 67.1 | Low | 69.2 | Low | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | trans | -66.8 | 109.8 | 169.4 | -116.6 | 87.5 | 0 | 0 | 0 | 108.2 | L703 Y725 I744 V748 L774 V778 | L703-L746 HydrophobicContact CD1-CD1 4.25Å; Y725-L746 WeakPolarHBondContact OH-CD2 3.35Å; I744-L746 HydrophobicContact CG2-CB 4.48Å; I744-L746 HydrophobicContact CG2-CD1 3.43Å; I744-L746 VanDerWaalsContact CG2-CD1 3.43Å; I744-L746 PolarHBondContact O-N 2.92Å; L746-V748 PolarHBondContact O-N 3.09Å; L746-L774 HydrophobicContact CD2-CD1 4.4Å; L746-L774 HydrophobicContact CD2-CD2 3.17Å; L746-L774 HydrophobicContact CD2-CG 4.42Å; L746-V778 HydrophobicContact CB-CG1 4.35Å | ||
| 747 | D | 74.9 | Confident | 70.8 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | trans | -73.3 | 79.6 | 178.6 | -168.6 | -9 | 0 | 0 | 0 | 110.7 | N745 N749 L750 K751 | N745-D747 PolarHBondContact O-N 3.46Å; N745-D747 VanDerWaalsContact O-N 3.1Å; D747-N749 PolarHBondContact O-N 3.38Å; D747-N749 WeakPolarHBondContact OD1-CB 3.49Å; D747-N749 PolarHBondContact OD1-N 3.29Å; D747-N749 VanDerWaalsContact OD1-N 3.1Å; D747-L750 HydrophobicContact CB-CB 3.95Å; D747-L750 WeakPolarHBondContact O-CB 3.47Å; D747-L750 PolarHBondContact O-N 3.15Å; D747-L750 PolarHBondContact OD1-N 3.17Å; D747-K751 PolarHBondContact O-N 2.91Å | ||
| 748 | V | 80.5 | Confident | 72.3 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.1 | -31 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | L746 K751 L752 L774 V778 L779 | L746-V748 PolarHBondContact O-N 3.09Å; V748-K751 PolarHBondContact O-N 3.08Å; V748-L752 HydrophobicContact CG1-CD1 4.01Å; V748-L752 HydrophobicContact CG1-CG 4.14Å; V748-L752 WeakPolarHBondContact O-CB 3.09Å; V748-L752 VanDerWaalsContact O-CG 3.28Å; V748-L752 WeakPolarHBondContact O-CG 3.39Å; V748-L752 PolarHBondContact O-N 2.95Å; V748-L774 HydrophobicContact CG1-CD1 4.44Å; V748-L774 HydrophobicContact CG2-CD1 3.67Å; V748-V778 HydrophobicContact CG2-CG1 3.53Å; V748-L779 HydrophobicContact CG1-CD2 4.25Å |
| 749 | N | 84.6 | Confident | 74.1 | Confident | 56 Ų | 56 | 71.5 Ų | 71.5 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 178.8 | -74.4 | -44 | 0 | 0 | 0 | 110.8 | D747 K751 L752 D753 K785 | D747-N749 PolarHBondContact O-N 3.38Å; D747-N749 WeakPolarHBondContact OD1-CB 3.49Å; D747-N749 PolarHBondContact OD1-N 3.29Å; D747-N749 VanDerWaalsContact OD1-N 3.1Å; N749-K751 VanDerWaalsContact C-N 3.27Å; N749-K751 PolarHBondContact O-N 2.92Å; N749-L752 PolarHBondContact O-N 3.33Å; N749-D753 WeakPolarHBondContact O-CB 3.4Å; N749-D753 VanDerWaalsContact O-CG 3.22Å; N749-D753 PolarHBondContact O-N 3.29Å; N749-K785 PolarHBondContact OD1-NZ 2.83Å |
| 750 | L | 87.6 | Confident | 76 | Confident | 104 Ų | 104 | 65 Ų | 65 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.3 | -43.4 | 172.8 | -172.2 | 88.8 | 0 | 0 | 0 | 111.8 | D747 D753 A754 | D747-L750 HydrophobicContact CB-CB 3.95Å; D747-L750 WeakPolarHBondContact O-CB 3.47Å; D747-L750 PolarHBondContact O-N 3.15Å; D747-L750 PolarHBondContact OD1-N 3.17Å; L750-D753 PolarHBondContact O-N 2.79Å; L750-A754 WeakPolarHBondContact O-CB 3.5Å; L750-A754 PolarHBondContact O-N 3Å |
| 751 | K | 88 | Confident | 77.9 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 14% | 0.135 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 179 | -54.8 | -57 | -175.8 | 177.1 | 0 | 112.1 | E707 D747 V748 N749 A754 I755 I770 V771 | E707-K751 WeakPolarHBondContact OE2-CE 3.16Å; E707-K751 IonicContact OE2-NZ 2.71Å; E707-K751 PolarHBondContact OE2-NZ 3.22Å; D747-K751 PolarHBondContact O-N 2.91Å; V748-K751 PolarHBondContact O-N 3.08Å; N749-K751 VanDerWaalsContact C-N 3.27Å; N749-K751 PolarHBondContact O-N 2.92Å; K751-A754 WeakPolarHBondContact O-CB 3.38Å; K751-A754 PolarHBondContact O-N 3.29Å; K751-I755 WeakPolarHBondContact O-CG1 3.39Å; K751-I755 PolarHBondContact O-N 3.48Å; K751-I770 HydrophobicContact CD-CG2 4.43Å; K751-I770 HydrophobicContact CG-CG2 4.3Å; K751-V771 HydrophobicContact CB-CG2 3.83Å |
| 752 | L | 90 | Very high | 79.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 174.7 | -73.7 | 176.1 | 0 | 0 | 0 | 112.1 | V748 N749 A754 I755 L756 V771 K785 V786 I789 | V748-L752 HydrophobicContact CG1-CD1 4.01Å; V748-L752 HydrophobicContact CG1-CG 4.14Å; V748-L752 WeakPolarHBondContact O-CB 3.09Å; V748-L752 VanDerWaalsContact O-CG 3.28Å; V748-L752 WeakPolarHBondContact O-CG 3.39Å; V748-L752 PolarHBondContact O-N 2.95Å; N749-L752 PolarHBondContact O-N 3.33Å; L752-A754 VanDerWaalsContact C-N 3.28Å; L752-A754 PolarHBondContact O-N 2.9Å; L752-I755 HydrophobicContact CD2-CD1 4.31Å; L752-I755 WeakPolarHBondContact O-CB 3.24Å; L752-I755 PolarHBondContact O-N 2.87Å; L752-L756 PolarHBondContact O-N 3.42Å; L752-V771 HydrophobicContact CD2-CG1 4.29Å; L752-V771 HydrophobicContact CD2-CG2 4.32Å; L752-K785 HydrophobicContact CD1-CD 4.04Å; L752-K785 HydrophobicContact CD1-CG 4.12Å; L752-V786 HydrophobicContact CD1-CG2 4.08Å; L752-V786 HydrophobicContact CD2-CB 4.5Å; L752-V786 HydrophobicContact CD2-CG2 4.08Å; L752-I789 HydrophobicContact CB-CD1 3.75Å; L752-I789 HydrophobicContact CD1-CD1 4.27Å; L752-I789 HydrophobicContact CD2-CD1 4.08Å; L752-I789 HydrophobicContact CD2-CG2 4.44Å; L752-I789 HydrophobicContact CG-CD1 4.25Å |
| 753 | D | 90.7 | Very high | 81.9 | Confident | 77 Ų | 77 | 64.4 Ų | 64.4 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -33.5 | 176 | -67 | -17.9 | 0 | 0 | 0 | 111 | N749 L750 I755 L756 C757 | N749-D753 WeakPolarHBondContact O-CB 3.4Å; N749-D753 VanDerWaalsContact O-CG 3.22Å; N749-D753 PolarHBondContact O-N 3.29Å; L750-D753 PolarHBondContact O-N 2.79Å; D753-I755 VanDerWaalsContact C-N 3.34Å; D753-I755 PolarHBondContact O-N 3.13Å; D753-L756 PolarHBondContact O-N 3.3Å; D753-C757 VanDerWaalsContact O-CB 3.29Å; D753-C757 WeakPolarHBondContact O-CB 3.23Å; D753-C757 PolarHBondContact O-N 3.34Å; D753-C757 PolarHBondContact O-SG 2.81Å |
| 754 | A | 91.2 | Very high | 83.9 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 30% | 0.298 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L750 K751 L752 A758 | L750-A754 WeakPolarHBondContact O-CB 3.5Å; L750-A754 PolarHBondContact O-N 3Å; K751-A754 WeakPolarHBondContact O-CB 3.38Å; K751-A754 PolarHBondContact O-N 3.29Å; L752-A754 VanDerWaalsContact C-N 3.28Å; L752-A754 PolarHBondContact O-N 2.9Å; A754-A758 WeakPolarHBondContact O-CB 3.1Å; A754-A758 PolarHBondContact O-N 3.3Å |
| 755 | I | 91.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 172.4 | -62.5 | 171.3 | 0 | 0 | 0 | 109.7 | K751 L752 D753 C757 A758 I768 V771 I789 L790 | K751-I755 WeakPolarHBondContact O-CG1 3.39Å; K751-I755 PolarHBondContact O-N 3.48Å; L752-I755 HydrophobicContact CD2-CD1 4.31Å; L752-I755 WeakPolarHBondContact O-CB 3.24Å; L752-I755 PolarHBondContact O-N 2.87Å; D753-I755 VanDerWaalsContact C-N 3.34Å; D753-I755 PolarHBondContact O-N 3.13Å; I755-C757 PolarHBondContact O-N 3.07Å; I755-A758 PolarHBondContact O-N 3.41Å; I755-I768 HydrophobicContact CD1-CG1 3.88Å; I755-I768 HydrophobicContact CG1-CG1 4.01Å; I755-I768 HydrophobicContact CG2-CG1 4.21Å; I755-V771 HydrophobicContact CD1-CG2 4.29Å; I755-I789 HydrophobicContact CB-CG2 4.2Å; I755-I789 HydrophobicContact CD1-CG2 4.46Å; I755-I789 HydrophobicContact CG2-CG2 3.95Å; I755-L790 HydrophobicContact CD1-CD2 4.31Å |
| 756 | L | 89.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 52 Ų | 52 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | -178.6 | -66.5 | 176.8 | 0 | 0 | 0 | 112.5 | L752 D753 I789 R800 | L752-L756 PolarHBondContact O-N 3.42Å; D753-L756 PolarHBondContact O-N 3.3Å; L756-I789 HydrophobicContact CD1-CD1 3.95Å; L756-I789 HydrophobicContact CD1-CG1 4.1Å; L756-I789 HydrophobicContact CD2-CG1 4.34Å; L756-I789 HydrophobicContact CD2-CG2 3.94Å; L756-I789 HydrophobicContact CG-CD1 4.39Å; L756-I789 HydrophobicContact CG-CG1 4.35Å; L756-I789 HydrophobicContact CG-CG2 4.04Å; L756-R800 PolarHBondContact O-NH2 3.45Å |
| 757 | C | 89.5 | Confident | 88.9 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 64% | 0.635 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -86.9 | -5.3 | -177.4 | -63.2 | 0 | 0 | 0 | 0 | 114 | D753 I755 K759 | D753-C757 VanDerWaalsContact O-CB 3.29Å; D753-C757 WeakPolarHBondContact O-CB 3.23Å; D753-C757 PolarHBondContact O-N 3.34Å; D753-C757 PolarHBondContact O-SG 2.81Å; I755-C757 PolarHBondContact O-N 3.07Å; C757-K759 PolarHBondContact O-N 2.91Å |
| 758 | A | 89.3 | Confident | 89.8 | Confident | 8 Ų | 8 | 47 Ų | 47 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | trans | -58.5 | 126.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A754 I755 C764 R800 W803 | A754-A758 WeakPolarHBondContact O-CB 3.1Å; A754-A758 PolarHBondContact O-N 3.3Å; I755-A758 PolarHBondContact O-N 3.41Å; A758-C764 HydrophobicContact CB-CB 3.6Å; A758-R800 PolarHBondContact O-NH2 3.22Å; A758-W803 WeakPolarHBondContact O-CH2 3.4Å | ||
| 759 | K | 88.6 | Confident | 90.3 | Very high | 191 Ų | 191 | 47.8 Ų | 47.8 | 83% | 0.83 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -95.7 | -16.1 | 173.9 | -62.9 | -174.9 | -179.2 | 179.6 | 0 | 113.1 | C757 | C757-K759 PolarHBondContact O-N 2.91Š|
| 760 | V | 89.7 | Confident | 90.5 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 42% | 0.418 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -131.6 | 135.7 | -178 | -166.1 | 0 | 0 | 0 | 0 | 109.1 | H762 R763 C764 | V760-H762 WeakPolarHBondContact CG1-CE1 3.29Å; V760-H762 VanDerWaalsContact CG1-ND1 3.31Å; V760-H762 WeakPolarHBondContact CG1-ND1 3.45Å; V760-H762 PolarHBondContact O-N 3.41Å; V760-R763 PolarHBondContact O-N 3.1Å; V760-C764 PolarHBondContact O-N 3.23Å |
| 761 | E | 91 | Very high | 90.5 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.8 | -46.4 | -171 | -167.8 | 176 | -172.7 | 0 | 0 | 113.3 | R763 C764 I765 W803 W804 E805 A806 | E761-R763 VanDerWaalsContact C-N 3.26Å; E761-R763 PolarHBondContact O-N 3.37Å; E761-C764 WeakPolarHBondContact O-CA 3.47Å; E761-C764 WeakPolarHBondContact O-CB 3.24Å; E761-C764 PolarHBondContact O-N 2.63Å; E761-I765 HydrophobicContact CG-CD1 3.82Å; E761-I765 HydrophobicContact CG-CG1 4.35Å; E761-I765 WeakPolarHBondContact O-CG1 3.45Å; E761-I765 PolarHBondContact O-N 2.91Å; E761-W803 HydrophobicContact CB-CD2 4.02Å; E761-W803 HydrophobicContact CB-CG 4.09Å; E761-W803 HydrophobicContact CG-CB 3.93Å; E761-W803 HydrophobicContact CG-CD2 4.02Å; E761-W803 HydrophobicContact CG-CE3 4.48Å; E761-W803 HydrophobicContact CG-CG 3.77Å; E761-W803 WeakPolarHBondContact OE1-CA 3.36Å; E761-W803 WeakPolarHBondContact OE1-CB 3.5Å; E761-W804 PolarHBondContact OE1-N 3.32Å; E761-E805 PolarHBondContact OE1-N 3.46Å; E761-A806 HydrophobicContact CG-CB 3.96Å; E761-A806 PolarHBondContact OE1-N 2.86Å; E761-A806 VanDerWaalsContact OE1-N 3.16Å |
| 762 | H | 89.5 | Confident | 90.4 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.1 | -30.7 | -178.9 | 68.2 | -93.4 | 0 | 0 | 0 | 113.8 | V760 A766 | V760-H762 WeakPolarHBondContact CG1-CE1 3.29Å; V760-H762 VanDerWaalsContact CG1-ND1 3.31Å; V760-H762 WeakPolarHBondContact CG1-ND1 3.45Å; V760-H762 PolarHBondContact O-N 3.41Å; H762-A766 WeakPolarHBondContact O-CB 2.92Å; H762-A766 PolarHBondContact O-N 2.81Å |
| 763 | R | 91 | Very high | 90 | Very high | 151 Ų | 151 | 39.9 Ų | 39.9 | 57% | 0.57 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -73.4 | -34.8 | 174.4 | -65.6 | -167.8 | 176.2 | -168.8 | -2.7 | 111.9 | F711 V760 E761 S767 | F711-R763 HydrophobicContact CD1-CB 4.47Å; F711-R763 HydrophobicContact CD1-CG 4.36Å; V760-R763 PolarHBondContact O-N 3.1Å; E761-R763 VanDerWaalsContact C-N 3.26Å; E761-R763 PolarHBondContact O-N 3.37Å; R763-S767 PolarHBondContact O-N 3.17Å; R763-S767 VanDerWaalsContact O-N 3.17Å; R763-S767 PolarHBondContact O-OG 3.49Å |
| 764 | C | 92.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -51.9 | 171.1 | -167.3 | 0 | 0 | 0 | 0 | 109.7 | A758 V760 E761 A766 S767 I768 W803 | A758-C764 HydrophobicContact CB-CB 3.6Å; V760-C764 PolarHBondContact O-N 3.23Å; E761-C764 WeakPolarHBondContact O-CA 3.47Å; E761-C764 WeakPolarHBondContact O-CB 3.24Å; E761-C764 PolarHBondContact O-N 2.63Å; C764-A766 PolarHBondContact O-N 3.22Å; C764-S767 PolarHBondContact O-N 3.13Å; C764-S767 VanDerWaalsContact O-N 3.15Å; C764-I768 WeakPolarHBondContact O-CD1 3.46Å; C764-I768 VanDerWaalsContact O-CG1 3.26Å; C764-I768 WeakPolarHBondContact O-CG1 3.5Å; C764-I768 PolarHBondContact O-N 2.97Å; C764-W803 HydrophobicContact CB-CZ3 4.2Å |
| 765 | I | 92.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.6 | -51.5 | 177.6 | -68.9 | 161.3 | 0 | 0 | 0 | 111.1 | E761 S767 I768 M769 E805 A806 T809 | E761-I765 HydrophobicContact CG-CD1 3.82Å; E761-I765 HydrophobicContact CG-CG1 4.35Å; E761-I765 WeakPolarHBondContact O-CG1 3.45Å; E761-I765 PolarHBondContact O-N 2.91Å; I765-S767 VanDerWaalsContact C-N 3.3Å; I765-S767 PolarHBondContact O-N 3.01Å; I765-I768 PolarHBondContact O-N 3.29Å; I765-I768 VanDerWaalsContact O-N 3.12Å; I765-M769 HydrophobicContact CG2-CG 4.16Å; I765-M769 HydrophobicContact CG2-SD 3.51Å; I765-M769 VanDerWaalsContact CG2-SD 3.51Å; I765-M769 VanDerWaalsContact O-CG 3.28Å; I765-M769 WeakPolarHBondContact O-CG 3.2Å; I765-M769 PolarHBondContact O-N 3.13Å; I765-E805 HydrophobicContact CD1-CB 3.85Å; I765-E805 VanDerWaalsContact CD1-CD 3.45Å; I765-E805 HydrophobicContact CD1-CG 3.56Å; I765-E805 HydrophobicContact CG1-CG 4.48Å; I765-A806 HydrophobicContact CG1-CB 3.97Å; I765-T809 HydrophobicContact CG2-CG2 4.15Å |
| 766 | A | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.1 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M710 F711 H762 C764 I768 M769 I770 | M710-A766 HydrophobicContact CG-CB 4.3Å; M710-A766 VanDerWaalsContact O-CB 3.22Å; M710-A766 WeakPolarHBondContact O-CB 3.11Å; F711-A766 HydrophobicContact CD1-CB 3.68Å; F711-A766 HydrophobicContact CE1-CB 3.86Å; F711-A766 HydrophobicContact CG-CB 4.19Å; F711-A766 HydrophobicContact CZ-CB 4.5Å; H762-A766 WeakPolarHBondContact O-CB 2.92Å; H762-A766 PolarHBondContact O-N 2.81Å; C764-A766 PolarHBondContact O-N 3.22Å; A766-I768 PolarHBondContact O-N 2.94Å; A766-M769 PolarHBondContact O-N 3Å; A766-I770 WeakPolarHBondContact O-CG1 3.35Å; A766-I770 PolarHBondContact O-N 3.41Å |
| 767 | S | 92.8 | Very high | 86.3 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -38.9 | 178.7 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | R763 C764 I765 V771 | R763-S767 PolarHBondContact O-N 3.17Å; R763-S767 VanDerWaalsContact O-N 3.17Å; R763-S767 PolarHBondContact O-OG 3.49Å; C764-S767 PolarHBondContact O-N 3.13Å; C764-S767 VanDerWaalsContact O-N 3.15Å; I765-S767 VanDerWaalsContact C-N 3.3Å; I765-S767 PolarHBondContact O-N 3.01Å; S767-V771 VanDerWaalsContact O-CG2 3.31Å; S767-V771 WeakPolarHBondContact O-CG2 3.32Å; S767-V771 PolarHBondContact O-N 3.38Å; S767-V771 VanDerWaalsContact O-N 3.09Å |
| 768 | I | 93.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.6 | -62.5 | 157.3 | 0 | 0 | 0 | 110.8 | I755 C764 I765 A766 V771 G772 L790 A806 T809 C810 A813 | I755-I768 HydrophobicContact CD1-CG1 3.88Å; I755-I768 HydrophobicContact CG1-CG1 4.01Å; I755-I768 HydrophobicContact CG2-CG1 4.21Å; C764-I768 WeakPolarHBondContact O-CD1 3.46Å; C764-I768 VanDerWaalsContact O-CG1 3.26Å; C764-I768 WeakPolarHBondContact O-CG1 3.5Å; C764-I768 PolarHBondContact O-N 2.97Å; I765-I768 PolarHBondContact O-N 3.29Å; I765-I768 VanDerWaalsContact O-N 3.12Å; A766-I768 PolarHBondContact O-N 2.94Å; I768-V771 PolarHBondContact O-N 3.29Å; I768-G772 PolarHBondContact O-N 3.09Å; I768-L790 HydrophobicContact CG1-CD2 4.22Å; I768-L790 HydrophobicContact CG2-CD2 3.94Å; I768-A806 HydrophobicContact CD1-CB 4.32Å; I768-T809 HydrophobicContact CB-CG2 3.96Å; I768-T809 HydrophobicContact CG2-CG2 3.63Å; I768-C810 WeakPolarHBondContact CD1-SG 3.28Å; I768-A813 HydrophobicContact CG2-CB 3.69Å |
| 769 | M | 91.2 | Very high | 84.9 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 179.5 | -69.6 | 172.6 | 89.1 | 0 | 0 | 112 | M710 R718 L719 S722 I765 A766 G772 S773 T809 | M710-M769 HydrophobicContact SD-CB 3.53Å; M710-M769 VanDerWaalsContact SD-CB 3.53Å; R718-M769 VanDerWaalsContact C-CE 3.48Å; R718-M769 HydrophobicContact CB-CE 4.05Å; R718-M769 HydrophobicContact CB-SD 3.88Å; R718-M769 VanDerWaalsContact O-CE 3.32Å; R718-M769 WeakPolarHBondContact O-CE 3.41Å; L719-M769 HydrophobicContact CD2-CE 3.79Å; L719-M769 HydrophobicContact CG-CE 4.22Å; S722-M769 VanDerWaalsContact OG-CE 3.26Å; S722-M769 WeakPolarHBondContact OG-CE 3.38Å; I765-M769 HydrophobicContact CG2-CG 4.16Å; I765-M769 HydrophobicContact CG2-SD 3.51Å; I765-M769 VanDerWaalsContact CG2-SD 3.51Å; I765-M769 VanDerWaalsContact O-CG 3.28Å; I765-M769 WeakPolarHBondContact O-CG 3.2Å; I765-M769 PolarHBondContact O-N 3.13Å; A766-M769 PolarHBondContact O-N 3Å; M769-G772 PolarHBondContact O-N 3.34Å; M769-S773 VanDerWaalsContact O-CB 3.27Å; M769-S773 WeakPolarHBondContact O-CB 3.46Å; M769-S773 PolarHBondContact O-N 3.39Å; M769-S773 VanDerWaalsContact O-N 3.09Å; M769-S773 PolarHBondContact O-OG 2.94Å; M769-T809 HydrophobicContact CG-CG2 3.53Å; M769-T809 HydrophobicContact SD-CG2 4.48Å |
| 770 | I | 88.8 | Confident | 84 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.9 | -58.4 | 172.2 | -67.4 | 169.6 | 0 | 0 | 0 | 108.8 | E707 M710 F711 Y725 K751 A766 G772 S773 L774 | E707-I770 HydrophobicContact CB-CD1 4.29Å; E707-I770 HydrophobicContact CG-CD1 4.11Å; E707-I770 HydrophobicContact CG-CG1 4.48Å; M710-I770 HydrophobicContact CE-CG1 4.13Å; M710-I770 HydrophobicContact SD-CD1 4.46Å; M710-I770 HydrophobicContact SD-CG1 3.52Å; M710-I770 VanDerWaalsContact SD-CG1 3.52Å; F711-I770 HydrophobicContact CE2-CD1 4.13Å; F711-I770 HydrophobicContact CZ-CD1 4.2Å; Y725-I770 HydrophobicContact CE1-CG2 4.46Å; K751-I770 HydrophobicContact CD-CG2 4.43Å; K751-I770 HydrophobicContact CG-CG2 4.3Å; A766-I770 WeakPolarHBondContact O-CG1 3.35Å; A766-I770 PolarHBondContact O-N 3.41Å; I770-G772 VanDerWaalsContact C-N 3.28Å; I770-G772 PolarHBondContact O-N 3.45Å; I770-S773 PolarHBondContact O-N 2.96Å; I770-L774 HydrophobicContact CG2-CD2 4.49Å; I770-L774 WeakPolarHBondContact O-CG 3.46Å; I770-L774 PolarHBondContact O-N 3.41Å |
| 771 | V | 88 | Confident | 83.1 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.4 | -42.3 | -178.1 | 172 | 0 | 0 | 0 | 0 | 111.7 | K751 L752 I755 S767 I768 S773 L774 L779 V786 | K751-V771 HydrophobicContact CB-CG2 3.83Å; L752-V771 HydrophobicContact CD2-CG1 4.29Å; L752-V771 HydrophobicContact CD2-CG2 4.32Å; I755-V771 HydrophobicContact CD1-CG2 4.29Å; S767-V771 VanDerWaalsContact O-CG2 3.31Å; S767-V771 WeakPolarHBondContact O-CG2 3.32Å; S767-V771 PolarHBondContact O-N 3.38Å; S767-V771 VanDerWaalsContact O-N 3.09Å; I768-V771 PolarHBondContact O-N 3.29Å; V771-S773 PolarHBondContact O-N 3.15Å; V771-L774 PolarHBondContact O-N 3.32Å; V771-L779 HydrophobicContact CG1-CD2 4.42Å; V771-V786 HydrophobicContact CG1-CG1 4Å; V771-V786 HydrophobicContact CG1-CG2 4.47Å |
| 772 | G | 85.4 | Confident | 82.5 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -6.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I768 M769 I770 N816 | I768-G772 PolarHBondContact O-N 3.09Å; M769-G772 PolarHBondContact O-N 3.34Å; I770-G772 VanDerWaalsContact C-N 3.28Å; I770-G772 PolarHBondContact O-N 3.45Å; G772-N816 WeakPolarHBondContact O-CB 3.41Å |
| 773 | S | 82.1 | Confident | 82 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -3.2 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 113 | M769 I770 V771 | M769-S773 VanDerWaalsContact O-CB 3.27Å; M769-S773 WeakPolarHBondContact O-CB 3.46Å; M769-S773 PolarHBondContact O-N 3.39Å; M769-S773 VanDerWaalsContact O-N 3.09Å; M769-S773 PolarHBondContact O-OG 2.94Å; I770-S773 PolarHBondContact O-N 2.96Å; V771-S773 PolarHBondContact O-N 3.15Å |
| 774 | L | 78.9 | Confident | 81.8 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -68.4 | 151.6 | 177.3 | -64.8 | -179.4 | 0 | 0 | 0 | 112.1 | Y725 L746 V748 I770 V771 V778 L779 | Y725-L774 HydrophobicContact CE1-CD2 4.01Å; L746-L774 HydrophobicContact CD2-CD1 4.4Å; L746-L774 HydrophobicContact CD2-CD2 3.17Å; L746-L774 HydrophobicContact CD2-CG 4.42Å; V748-L774 HydrophobicContact CG1-CD1 4.44Å; V748-L774 HydrophobicContact CG2-CD1 3.67Å; I770-L774 HydrophobicContact CG2-CD2 4.49Å; I770-L774 WeakPolarHBondContact O-CG 3.46Å; I770-L774 PolarHBondContact O-N 3.41Å; V771-L774 PolarHBondContact O-N 3.32Å; L774-V778 HydrophobicContact CD1-CG1 4.19Å; L774-L779 HydrophobicContact CB-CD1 3.98Å; L774-L779 HydrophobicContact CB-CD2 3.96Å; L774-L779 HydrophobicContact CB-CG 3.83Å; L774-L779 HydrophobicContact CD1-CD2 3.82Å; L774-L779 HydrophobicContact CG-CD2 4.47Å |
| 775 | S | 72.4 | Confident | 81.6 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | trans | -71.2 | 158.4 | -179.3 | 103 | 0 | 0 | 0 | 0 | 112.4 | D733 G777 V778 L779 | D733-S775 WeakPolarHBondContact OD1-CB 3.36Å; D733-S775 PolarHBondContact OD1-OG 2.93Å; S775-G777 VanDerWaalsContact C-N 3.26Å; S775-G777 PolarHBondContact O-N 3.45Å; S775-V778 PolarHBondContact O-N 3.26Å; S775-L779 PolarHBondContact O-N 3.42Å | ||
| 776 | K | 67.9 | Low | 81.4 | Confident | 112 Ų | 112 | 31.4 Ų | 31.4 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.2 | -39.1 | -177.7 | 68.4 | -170.6 | 175 | -179.5 | 0 | 112.4 | D733 V778 L779 A780 | D733-K776 WeakPolarHBondContact OD2-CE 3.5Å; K776-V778 VanDerWaalsContact C-N 3.3Å; K776-V778 PolarHBondContact O-N 2.95Å; K776-L779 PolarHBondContact O-N 3.45Å; K776-A780 PolarHBondContact O-N 3.32Å |
| 777 | G | 67.1 | Low | 81.3 | Confident | 53 Ų | 53 | 31.6 Ų | 31.6 | 55% | 0.546 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.1 | -36.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S775 | S775-G777 VanDerWaalsContact C-N 3.26Å; S775-G777 PolarHBondContact O-N 3.45Å |
| 778 | V | 72.6 | Confident | 81.2 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.2 | -32 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | L736 L746 V748 L774 S775 K776 | L736-V778 HydrophobicContact CD1-CG2 4.38Å; L746-V778 HydrophobicContact CB-CG1 4.35Å; V748-V778 HydrophobicContact CG2-CG1 3.53Å; L774-V778 HydrophobicContact CD1-CG1 4.19Å; S775-V778 PolarHBondContact O-N 3.26Å; K776-V778 VanDerWaalsContact C-N 3.3Å; K776-V778 PolarHBondContact O-N 2.95Å |
| 779 | L | 75 | Confident | 81.1 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -93.1 | -21.3 | -174.4 | -62.8 | 175.6 | 0 | 0 | 0 | 114.7 | V748 V771 L774 S775 K776 S781 R782 M783 V786 F817 | V748-L779 HydrophobicContact CG1-CD2 4.25Å; V771-L779 HydrophobicContact CG1-CD2 4.42Å; L774-L779 HydrophobicContact CB-CD1 3.98Å; L774-L779 HydrophobicContact CB-CD2 3.96Å; L774-L779 HydrophobicContact CB-CG 3.83Å; L774-L779 HydrophobicContact CD1-CD2 3.82Å; L774-L779 HydrophobicContact CG-CD2 4.47Å; S775-L779 PolarHBondContact O-N 3.42Å; K776-L779 PolarHBondContact O-N 3.45Å; L779-S781 VanDerWaalsContact C-N 3.32Å; L779-S781 PolarHBondContact O-N 3.48Å; L779-S781 VanDerWaalsContact O-N 3.17Å; L779-R782 PolarHBondContact O-N 2.83Å; L779-M783 PolarHBondContact O-N 2.89Å; L779-V786 HydrophobicContact CD2-CG2 4.46Å; L779-F817 HydrophobicContact CB-CD2 4.38Å; L779-F817 HydrophobicContact CB-CE2 3.7Å; L779-F817 HydrophobicContact CD1-CD2 3.54Å; L779-F817 HydrophobicContact CD1-CE2 3.75Å; L779-F817 HydrophobicContact CG-CE2 4.33Å |
| 780 | A | 69.8 | Low | 81.2 | Confident | 52 Ų | 52 | 35 Ų | 35 | 43% | 0.43 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -53 | -41.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K776 R782 F821 | K776-A780 PolarHBondContact O-N 3.32Å; A780-R782 VanDerWaalsContact C-N 3.3Å; A780-R782 PolarHBondContact O-N 3.33Å; A780-F821 HydrophobicContact CB-CE1 3.93Å; A780-F821 HydrophobicContact CB-CZ 4.07Å |
| 781 | S | 71.5 | Confident | 81.3 | Confident | 105 Ų | 105 | 36.6 Ų | 36.6 | 73% | 0.734 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -77.8 | -8.8 | -178.5 | 59.1 | 0 | 0 | 0 | 0 | 114.7 | L779 | L779-S781 VanDerWaalsContact C-N 3.32Å; L779-S781 PolarHBondContact O-N 3.48Å; L779-S781 VanDerWaalsContact O-N 3.17Å |
| 782 | R | 79.6 | Confident | 81.4 | Confident | 57 Ų | 57 | 38.1 Ų | 38.1 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -119.8 | 11 | -171.9 | -61.7 | 173.2 | -179.8 | 133.2 | -11.2 | 113 | L779 A780 D784 K785 V786 | L779-R782 PolarHBondContact O-N 2.83Å; A780-R782 VanDerWaalsContact C-N 3.3Å; A780-R782 PolarHBondContact O-N 3.33Å; R782-D784 PolarHBondContact O-N 3.19Å; R782-K785 WeakPolarHBondContact O-CB 3.49Å; R782-K785 PolarHBondContact O-N 3.12Å; R782-K785 VanDerWaalsContact O-N 3.17Å; R782-V786 HydrophobicContact CB-CG2 4.41Å; R782-V786 WeakPolarHBondContact O-CG2 3.49Å; R782-V786 PolarHBondContact O-N 2.89Å |
| 783 | M | 78.2 | Confident | 81.5 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 7% | 0.069 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.4 | -53.4 | -169.5 | -178.4 | 147.4 | 83 | 0 | 0 | 114.2 | L779 K785 V786 I787 F817 L835 L836 H839 | L779-M783 PolarHBondContact O-N 2.89Å; M783-K785 VanDerWaalsContact C-N 3.29Å; M783-K785 PolarHBondContact O-N 3.09Å; M783-V786 PolarHBondContact O-N 2.86Å; M783-I787 HydrophobicContact CG-CD1 3.76Å; M783-I787 WeakPolarHBondContact O-CG1 3.34Å; M783-I787 PolarHBondContact O-N 3.37Å; M783-F817 HydrophobicContact CB-CZ 3.93Å; M783-F817 HydrophobicContact CG-CE1 3.55Å; M783-F817 HydrophobicContact CG-CZ 3.43Å; M783-F817 VanDerWaalsContact CG-CZ 3.43Å; M783-F817 HydrophobicContact SD-CE1 3.44Å; M783-F817 WeakPolarHBondContact SD-CE1 3.39Å; M783-F817 HydrophobicContact SD-CZ 3.39Å; M783-F817 WeakPolarHBondContact SD-CZ 3.41Å; M783-L835 HydrophobicContact CE-CD2 4.49Å; M783-L836 HydrophobicContact CE-CD2 3.62Å; M783-L836 HydrophobicContact CE-CG 4.09Å; M783-L836 HydrophobicContact SD-CD2 4.08Å; M783-H839 HydrophobicContact CE-CB 3.99Å; M783-H839 WeakPolarHBondContact CE-ND1 3.49Å; M783-H839 HydrophobicContact CG-CB 4.36Å; M783-H839 HydrophobicContact SD-CB 4.28Å |
| 784 | D | 85.8 | Confident | 81.8 | Confident | 75 Ų | 75 | 39.2 Ų | 39.2 | 40% | 0.401 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -36.4 | -178 | -169 | 69.2 | 0 | 0 | 0 | 111.9 | R782 T788 H839 K842 | R782-D784 PolarHBondContact O-N 3.19Å; D784-T788 VanDerWaalsContact O-CB 3.27Å; D784-T788 WeakPolarHBondContact O-CB 3.42Å; D784-T788 PolarHBondContact O-N 2.9Å; D784-T788 PolarHBondContact O-OG1 2.98Å; D784-H839 WeakPolarHBondContact CB-NE2 3.38Å; D784-H839 IonicContact OD1-CD2 2.89Å; D784-H839 IonicContact OD1-NE2 2.91Å; D784-H839 PolarHBondContact OD1-NE2 3.39Å; D784-K842 IonicContact OD1-NZ 3.91Å; D784-K842 PolarHBondContact OD1-NZ 2.82Å |
| 785 | K | 88.4 | Confident | 81.9 | Confident | 87 Ų | 87 | 44.5 Ų | 44.5 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 175.3 | -169.6 | 180 | 176.3 | -175.9 | 0 | 111.6 | N749 L752 R782 M783 I789 | N749-K785 PolarHBondContact OD1-NZ 2.83Å; L752-K785 HydrophobicContact CD1-CD 4.04Å; L752-K785 HydrophobicContact CD1-CG 4.12Å; R782-K785 WeakPolarHBondContact O-CB 3.49Å; R782-K785 PolarHBondContact O-N 3.12Å; R782-K785 VanDerWaalsContact O-N 3.17Å; M783-K785 VanDerWaalsContact C-N 3.29Å; M783-K785 PolarHBondContact O-N 3.09Å; K785-I789 HydrophobicContact CG-CD1 3.96Å; K785-I789 WeakPolarHBondContact O-CB 3.46Å; K785-I789 VanDerWaalsContact O-CG1 3.3Å; K785-I789 WeakPolarHBondContact O-CG1 3.35Å; K785-I789 PolarHBondContact O-N 3.21Å |
| 786 | V | 88.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | L752 V771 L779 R782 M783 T788 I789 L790 | L752-V786 HydrophobicContact CD1-CG2 4.08Å; L752-V786 HydrophobicContact CD2-CB 4.5Å; L752-V786 HydrophobicContact CD2-CG2 4.08Å; V771-V786 HydrophobicContact CG1-CG1 4Å; V771-V786 HydrophobicContact CG1-CG2 4.47Å; L779-V786 HydrophobicContact CD2-CG2 4.46Å; R782-V786 HydrophobicContact CB-CG2 4.41Å; R782-V786 WeakPolarHBondContact O-CG2 3.49Å; R782-V786 PolarHBondContact O-N 2.89Å; M783-V786 PolarHBondContact O-N 2.86Å; V786-T788 PolarHBondContact O-N 3.27Å; V786-I789 PolarHBondContact O-N 3.17Å; V786-L790 HydrophobicContact CG1-CD1 3.87Å; V786-L790 HydrophobicContact CG1-CG 4.33Å; V786-L790 WeakPolarHBondContact O-CG 3.44Å; V786-L790 PolarHBondContact O-N 3.34Å |
| 787 | I | 89.1 | Confident | 81.2 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | -177.8 | -68 | 166.6 | 0 | 0 | 0 | 111.2 | M783 I789 L790 T791 F817 H839 I843 | M783-I787 HydrophobicContact CG-CD1 3.76Å; M783-I787 WeakPolarHBondContact O-CG1 3.34Å; M783-I787 PolarHBondContact O-N 3.37Å; I787-I789 VanDerWaalsContact C-N 3.34Å; I787-I789 PolarHBondContact O-N 3.34Å; I787-L790 PolarHBondContact O-N 2.89Å; I787-T791 VanDerWaalsContact O-CB 3.25Å; I787-T791 WeakPolarHBondContact O-CB 3.49Å; I787-T791 PolarHBondContact O-N 3.39Å; I787-T791 PolarHBondContact O-OG1 3.3Å; I787-F817 HydrophobicContact CD1-CE1 4.16Å; I787-F817 HydrophobicContact CG1-CE1 4.45Å; I787-H839 HydrophobicContact CD1-CB 3.59Å; I787-H839 WeakPolarHBondContact CD1-CD2 3.26Å; I787-I843 HydrophobicContact CD1-CD1 3.68Å; I787-I843 HydrophobicContact CD1-CG1 4.17Å; I787-I843 HydrophobicContact CG1-CD1 3.83Å; I787-I843 HydrophobicContact CG1-CG1 4.15Å; I787-I843 HydrophobicContact CG2-CG1 4.17Å |
| 788 | T | 91.5 | Very high | 81 | Confident | 77 Ų | 77 | 57.4 Ų | 57.4 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | D784 V786 T791 S792 | D784-T788 VanDerWaalsContact O-CB 3.27Å; D784-T788 WeakPolarHBondContact O-CB 3.42Å; D784-T788 PolarHBondContact O-N 2.9Å; D784-T788 PolarHBondContact O-OG1 2.98Å; V786-T788 PolarHBondContact O-N 3.27Å; T788-T791 PolarHBondContact O-N 3Å; T788-S792 WeakPolarHBondContact O-CB 3.43Å; T788-S792 PolarHBondContact O-N 3.45Å |
| 789 | I | 92 | Very high | 80.8 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -48.1 | 179.6 | -70.4 | 173.9 | 0 | 0 | 0 | 111.1 | L752 I755 L756 K785 V786 I787 T791 S792 C793 | L752-I789 HydrophobicContact CB-CD1 3.75Å; L752-I789 HydrophobicContact CD1-CD1 4.27Å; L752-I789 HydrophobicContact CD2-CD1 4.08Å; L752-I789 HydrophobicContact CD2-CG2 4.44Å; L752-I789 HydrophobicContact CG-CD1 4.25Å; I755-I789 HydrophobicContact CB-CG2 4.2Å; I755-I789 HydrophobicContact CD1-CG2 4.46Å; I755-I789 HydrophobicContact CG2-CG2 3.95Å; L756-I789 HydrophobicContact CD1-CD1 3.95Å; L756-I789 HydrophobicContact CD1-CG1 4.1Å; L756-I789 HydrophobicContact CD2-CG1 4.34Å; L756-I789 HydrophobicContact CD2-CG2 3.94Å; L756-I789 HydrophobicContact CG-CD1 4.39Å; L756-I789 HydrophobicContact CG-CG1 4.35Å; L756-I789 HydrophobicContact CG-CG2 4.04Å; K785-I789 HydrophobicContact CG-CD1 3.96Å; K785-I789 WeakPolarHBondContact O-CB 3.46Å; K785-I789 VanDerWaalsContact O-CG1 3.3Å; K785-I789 WeakPolarHBondContact O-CG1 3.35Å; K785-I789 PolarHBondContact O-N 3.21Å; V786-I789 PolarHBondContact O-N 3.17Å; I787-I789 VanDerWaalsContact C-N 3.34Å; I787-I789 PolarHBondContact O-N 3.34Å; I789-T791 VanDerWaalsContact C-N 3.29Å; I789-T791 PolarHBondContact O-N 3.43Å; I789-S792 PolarHBondContact O-N 2.91Å; I789-S792 VanDerWaalsContact O-N 3.14Å; I789-S792 PolarHBondContact O-OG 2.97Å; I789-C793 PolarHBondContact O-N 3.49Å |
| 790 | L | 92.3 | Very high | 81 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 179 | -65.6 | 178.4 | 0 | 0 | 0 | 112.2 | I755 I768 V786 I787 C793 C810 A813 M814 | I755-L790 HydrophobicContact CD1-CD2 4.31Å; I768-L790 HydrophobicContact CG1-CD2 4.22Å; I768-L790 HydrophobicContact CG2-CD2 3.94Å; V786-L790 HydrophobicContact CG1-CD1 3.87Å; V786-L790 HydrophobicContact CG1-CG 4.33Å; V786-L790 WeakPolarHBondContact O-CG 3.44Å; V786-L790 PolarHBondContact O-N 3.34Å; I787-L790 PolarHBondContact O-N 2.89Å; L790-C793 WeakPolarHBondContact O-CB 3.42Å; L790-C793 PolarHBondContact O-N 2.9Å; L790-C810 HydrophobicContact CD2-CB 4.36Å; L790-A813 HydrophobicContact CD1-CB 4.27Å; L790-M814 HydrophobicContact CB-CE 3.47Å; L790-M814 VanDerWaalsContact CB-CE 3.47Å; L790-M814 HydrophobicContact CB-CG 4.36Å; L790-M814 HydrophobicContact CD1-CG 3.92Å |
| 791 | T | 91.2 | Very high | 81.3 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | I787 T788 I789 C793 F794 | I787-T791 VanDerWaalsContact O-CB 3.25Å; I787-T791 WeakPolarHBondContact O-CB 3.49Å; I787-T791 PolarHBondContact O-N 3.39Å; I787-T791 PolarHBondContact O-OG1 3.3Å; T788-T791 PolarHBondContact O-N 3Å; I789-T791 VanDerWaalsContact C-N 3.29Å; I789-T791 PolarHBondContact O-N 3.43Å; T791-C793 PolarHBondContact O-N 3.39Å; T791-F794 PolarHBondContact O-N 2.85Å; T791-F794 VanDerWaalsContact O-N 3.08Å |
| 792 | S | 89.9 | Confident | 81.8 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -26.8 | 179.2 | 76.9 | 0 | 0 | 0 | 0 | 113.3 | T788 I789 F794 N795 | T788-S792 WeakPolarHBondContact O-CB 3.43Å; T788-S792 PolarHBondContact O-N 3.45Å; I789-S792 PolarHBondContact O-N 2.91Å; I789-S792 VanDerWaalsContact O-N 3.14Å; I789-S792 PolarHBondContact O-OG 2.97Å; S792-F794 PolarHBondContact O-N 3.02Å; S792-N795 CarbonylContact O-C 3.59Å; S792-N795 PolarHBondContact O-N 3.44Å |
| 793 | C | 88.8 | Confident | 82.2 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.2 | 174.4 | -65.4 | 0 | 0 | 0 | 0 | 113.9 | I789 L790 T791 | I789-C793 PolarHBondContact O-N 3.49Å; L790-C793 WeakPolarHBondContact O-CB 3.42Å; L790-C793 PolarHBondContact O-N 2.9Å; T791-C793 PolarHBondContact O-N 3.39Å |
| 794 | F | 87.1 | Confident | 82.6 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -24.1 | 176 | -68.3 | -101.6 | 0 | 0 | 0 | 113 | T791 S792 D796 K807 C810 L811 H846 A850 L853 I866 | T791-F794 PolarHBondContact O-N 2.85Å; T791-F794 VanDerWaalsContact O-N 3.08Å; S792-F794 PolarHBondContact O-N 3.02Å; F794-D796 PolarHBondContact O-N 3.33Å; F794-K807 HydrophobicContact CD1-CB 4.42Å; F794-K807 HydrophobicContact CD1-CD 4.18Å; F794-K807 HydrophobicContact CD1-CG 4.11Å; F794-K807 HydrophobicContact CE1-CB 3.71Å; F794-K807 HydrophobicContact CE1-CD 4.24Å; F794-K807 HydrophobicContact CE1-CG 3.91Å; F794-K807 HydrophobicContact CE2-CB 4.41Å; F794-K807 HydrophobicContact CE2-CG 4.45Å; F794-K807 HydrophobicContact CG-CG 4.47Å; F794-K807 HydrophobicContact CZ-CB 3.7Å; F794-K807 HydrophobicContact CZ-CG 4.08Å; F794-K807 WeakPolarHBondContact CZ-O 3.07Å; F794-C810 HydrophobicContact CE2-CB 3.85Å; F794-C810 HydrophobicContact CZ-CB 4.4Å; F794-L811 HydrophobicContact CE1-CD2 4.29Å; F794-L811 HydrophobicContact CE2-CD2 4.19Å; F794-L811 HydrophobicContact CZ-CD2 3.56Å; F794-L811 HydrophobicContact CZ-CG 3.87Å; F794-H846 AromaticContact CD1-NE2 3.83Å; F794-H846 AromaticContact CD2-CE1 3.77Å; F794-H846 AromaticContact CD2-NE2 3.1Å; F794-H846 WeakPolarHBondContact CD2-NE2 3.45Å; F794-H846 AromaticContact CE2-NE2 3.36Å; F794-H846 WeakPolarHBondContact CE2-NE2 3.49Å; F794-H846 AromaticContact CG-CE1 3.72Å; F794-H846 AromaticContact CG-NE2 3.37Å; F794-H846 WeakPolarHBondContact CG-NE2 3.25Å; F794-H846 AromaticContact CZ-NE2 3.82Å; F794-A850 HydrophobicContact CE1-CB 4.32Å; F794-L853 HydrophobicContact CD1-CD1 4.24Å; F794-L853 HydrophobicContact CE1-CD1 4.35Å; F794-I866 HydrophobicContact CE1-CG2 4.06Å |
| 795 | N | 80.8 | Confident | 82.7 | Confident | 126 Ų | 126 | 68.6 Ų | 68.6 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -99.9 | 69.3 | -176 | -66.5 | -23.7 | 0 | 0 | 0 | 110.1 | S792 | S792-N795 CarbonylContact O-C 3.59Å; S792-N795 PolarHBondContact O-N 3.44Å |
| 796 | D | 63.8 | Low | 82.9 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | trans | -141.4 | 159 | -159.2 | -127 | -22.8 | 0 | 0 | 0 | 118.6 | F794 R800 | F794-D796 PolarHBondContact O-N 3.33Å; D796-R800 HydrophobicContact CB-CB 4.11Å; D796-R800 WeakPolarHBondContact OD2-CD 3.25Å; D796-R800 IonicContact OD2-CZ 3.04Å; D796-R800 IonicContact OD2-NE 3.48Å; D796-R800 IonicContact OD2-NH1 2.67Å; D796-R800 PolarHBondContact OD2-NH1 3.36Å; D796-R800 VanDerWaalsContact OD2-NH1 3.12Å | ||
| 797 | K | 61.6 | Low | 83 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | trans | -51.1 | 151.4 | -175.1 | -64.6 | 171.1 | -178.3 | 173.8 | 0 | 112.7 | Y799 R800 | K797-Y799 HydrophobicContact CB-CD1 3.97Å; K797-Y799 HydrophobicContact CB-CE1 3.73Å; K797-Y799 HydrophobicContact CD-CE1 4.02Å; K797-Y799 PolarHBondContact O-N 2.94Å; K797-R800 PolarHBondContact O-N 3.03Å | ||
| 798 | R | 62.8 | Low | 83.2 | Confident | 247 Ų | 247 | 67.2 Ų | 67.2 | 93% | 0.932 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.9 | -33.6 | -174.4 | -77.5 | -173.7 | -175.6 | 179.2 | 1.9 | 115.5 | ||
| 799 | Y | 68.8 | Low | 83.2 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -30.3 | -177.8 | 71.8 | -88.2 | 0 | 0 | 0 | 115.3 | K797 R801 W803 | K797-Y799 HydrophobicContact CB-CD1 3.97Å; K797-Y799 HydrophobicContact CB-CE1 3.73Å; K797-Y799 HydrophobicContact CD-CE1 4.02Å; K797-Y799 PolarHBondContact O-N 2.94Å; Y799-R801 VanDerWaalsContact C-N 3.31Å; Y799-W803 HydrophobicContact CD2-CZ2 4.42Å; Y799-W803 HydrophobicContact CE2-CH2 4.41Å; Y799-W803 HydrophobicContact CE2-CZ2 4.39Å |
| 800 | R | 80.7 | Confident | 83.3 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -82.8 | -9.2 | 177.6 | -69.1 | -174.6 | 171.6 | -178.9 | -2 | 113.4 | L756 A758 D796 K797 L802 W803 | L756-R800 PolarHBondContact O-NH2 3.45Å; A758-R800 PolarHBondContact O-NH2 3.22Å; D796-R800 HydrophobicContact CB-CB 4.11Å; D796-R800 WeakPolarHBondContact OD2-CD 3.25Å; D796-R800 IonicContact OD2-CZ 3.04Å; D796-R800 IonicContact OD2-NE 3.48Å; D796-R800 IonicContact OD2-NH1 2.67Å; D796-R800 PolarHBondContact OD2-NH1 3.36Å; D796-R800 VanDerWaalsContact OD2-NH1 3.12Å; K797-R800 PolarHBondContact O-N 3.03Å; R800-L802 PolarHBondContact O-N 3.31Å; R800-L802 VanDerWaalsContact O-N 3.1Å; R800-W803 HydrophobicContact CB-CD2 4.28Å; R800-W803 HydrophobicContact CB-CE3 4.25Å; R800-W803 HydrophobicContact CG-CD2 4.02Å; R800-W803 HydrophobicContact CG-CE3 3.75Å; R800-W803 HydrophobicContact CG-CH2 4.07Å; R800-W803 HydrophobicContact CG-CZ2 4.32Å; R800-W803 HydrophobicContact CG-CZ3 3.79Å; R800-W803 WeakPolarHBondContact O-CB 3.49Å; R800-W803 PolarHBondContact O-N 3.42Å |
| 801 | R | 76 | Confident | 83.4 | Confident | 144 Ų | 144 | 63.7 Ų | 63.7 | 54% | 0.543 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -51.2 | -38.6 | 180 | -171.1 | 177.1 | -179.2 | 171.8 | 4.4 | 112.2 | Y799 K807 E855 | Y799-R801 VanDerWaalsContact C-N 3.31Å; R801-K807 PolarHBondContact O-NZ 3.04Å; R801-E855 IonicContact CZ-OE1 3.7Å; R801-E855 VanDerWaalsContact CZ-OE1 3.24Å; R801-E855 IonicContact NE-OE1 3.49Å; R801-E855 PolarHBondContact NE-OE1 2.85Å; R801-E855 IonicContact NE-OE2 3.4Å; R801-E855 PolarHBondContact NE-OE2 2.94Å; R801-E855 IonicContact NH2-OE1 3.68Å; R801-E855 PolarHBondContact NH2-OE1 3.06Å |
| 802 | L | 80.5 | Confident | 83.4 | Confident | 110 Ų | 110 | 64.6 Ų | 64.6 | 58% | 0.576 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -85.8 | -1.6 | -177.1 | -63.3 | 174.1 | 0 | 0 | 0 | 115 | R800 W804 | R800-L802 PolarHBondContact O-N 3.31Å; R800-L802 VanDerWaalsContact O-N 3.1Å; L802-W804 PolarHBondContact O-N 3.17Å |
| 803 | W | 88.3 | Confident | 83.5 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | trans | -79.1 | 68.2 | -179.1 | -68.5 | -1.5 | 0 | 0 | 0 | 111.8 | A758 E761 C764 Y799 R800 A806 K807 | A758-W803 WeakPolarHBondContact O-CH2 3.4Å; E761-W803 HydrophobicContact CB-CD2 4.02Å; E761-W803 HydrophobicContact CB-CG 4.09Å; E761-W803 HydrophobicContact CG-CB 3.93Å; E761-W803 HydrophobicContact CG-CD2 4.02Å; E761-W803 HydrophobicContact CG-CE3 4.48Å; E761-W803 HydrophobicContact CG-CG 3.77Å; E761-W803 WeakPolarHBondContact OE1-CA 3.36Å; E761-W803 WeakPolarHBondContact OE1-CB 3.5Å; C764-W803 HydrophobicContact CB-CZ3 4.2Å; Y799-W803 HydrophobicContact CD2-CZ2 4.42Å; Y799-W803 HydrophobicContact CE2-CH2 4.41Å; Y799-W803 HydrophobicContact CE2-CZ2 4.39Å; R800-W803 HydrophobicContact CB-CD2 4.28Å; R800-W803 HydrophobicContact CB-CE3 4.25Å; R800-W803 HydrophobicContact CG-CD2 4.02Å; R800-W803 HydrophobicContact CG-CE3 3.75Å; R800-W803 HydrophobicContact CG-CH2 4.07Å; R800-W803 HydrophobicContact CG-CZ2 4.32Å; R800-W803 HydrophobicContact CG-CZ3 3.79Å; R800-W803 WeakPolarHBondContact O-CB 3.49Å; R800-W803 PolarHBondContact O-N 3.42Å; W803-A806 HydrophobicContact CB-CB 4.11Å; W803-K807 VanDerWaalsContact O-CG 3.31Å; W803-K807 WeakPolarHBondContact O-CG 3.31Å; W803-K807 PolarHBondContact O-N 3.4Å | ||
| 804 | W | 85.9 | Confident | 83.5 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 31% | 0.314 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.5 | -31.6 | -174.9 | 64.3 | -93.5 | 0 | 0 | 0 | 112.6 | E761 L802 K807 E808 H865 I866 | E761-W804 PolarHBondContact OE1-N 3.32Å; L802-W804 PolarHBondContact O-N 3.17Å; W804-K807 PolarHBondContact O-N 3.18Å; W804-E808 WeakPolarHBondContact O-CB 3.4Å; W804-E808 PolarHBondContact O-N 2.81Å; W804-H865 HydrophobicContact CE3-CB 3.66Å; W804-H865 AromaticContact CE3-CD2 3.96Å; W804-H865 AromaticContact CE3-CG 3.94Å; W804-H865 AromaticContact CH2-CD2 3.86Å; W804-H865 HydrophobicContact CZ3-CB 3.6Å; W804-H865 AromaticContact CZ3-CD2 3.54Å; W804-H865 AromaticContact CZ3-CG 3.47Å; W804-H865 VanDerWaalsContact CZ3-CG 3.47Å; W804-I866 HydrophobicContact CB-CD1 3.88Å; W804-I866 HydrophobicContact CB-CG1 4.2Å |
| 805 | E | 89.2 | Confident | 83.6 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 178.8 | -172.7 | -173 | 164.3 | 0 | 0 | 109.6 | R718 E761 I765 E808 T809 | R718-E805 IonicContact CZ-OE1 2.86Å; R718-E805 IonicContact NH2-OE1 3.39Å; R718-E805 PolarHBondContact NH2-OE1 3.24Å; R718-E805 IonicContact NH2-OE2 3.85Å; E761-E805 PolarHBondContact OE1-N 3.46Å; I765-E805 HydrophobicContact CD1-CB 3.85Å; I765-E805 VanDerWaalsContact CD1-CD 3.45Å; I765-E805 HydrophobicContact CD1-CG 3.56Å; I765-E805 HydrophobicContact CG1-CG 4.48Å; E805-E808 PolarHBondContact O-N 3.34Å; E805-T809 WeakPolarHBondContact O-CB 3.33Å; E805-T809 PolarHBondContact O-N 3.26Å; E805-T809 PolarHBondContact O-OG1 2.6Å |
| 806 | A | 91.4 | Very high | 83.7 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E761 I765 I768 W803 T809 C810 | E761-A806 HydrophobicContact CG-CB 3.96Å; E761-A806 PolarHBondContact OE1-N 2.86Å; E761-A806 VanDerWaalsContact OE1-N 3.16Å; I765-A806 HydrophobicContact CG1-CB 3.97Å; I768-A806 HydrophobicContact CD1-CB 4.32Å; W803-A806 HydrophobicContact CB-CB 4.11Å; A806-T809 PolarHBondContact O-N 3.47Å; A806-C810 PolarHBondContact O-N 2.98Å; A806-C810 PolarHBondContact O-SG 2.94Å |
| 807 | K | 91.7 | Very high | 84.4 | Confident | 21 Ų | 21 | 56 Ų | 56 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | 177.2 | -72.9 | 169.5 | -175.7 | 178.9 | 0 | 112 | F794 R801 W803 W804 T809 C810 L811 I866 | F794-K807 HydrophobicContact CD1-CB 4.42Å; F794-K807 HydrophobicContact CD1-CD 4.18Å; F794-K807 HydrophobicContact CD1-CG 4.11Å; F794-K807 HydrophobicContact CE1-CB 3.71Å; F794-K807 HydrophobicContact CE1-CD 4.24Å; F794-K807 HydrophobicContact CE1-CG 3.91Å; F794-K807 HydrophobicContact CE2-CB 4.41Å; F794-K807 HydrophobicContact CE2-CG 4.45Å; F794-K807 HydrophobicContact CG-CG 4.47Å; F794-K807 HydrophobicContact CZ-CB 3.7Å; F794-K807 HydrophobicContact CZ-CG 4.08Å; F794-K807 WeakPolarHBondContact CZ-O 3.07Å; R801-K807 PolarHBondContact O-NZ 3.04Å; W803-K807 VanDerWaalsContact O-CG 3.31Å; W803-K807 WeakPolarHBondContact O-CG 3.31Å; W803-K807 PolarHBondContact O-N 3.4Å; W804-K807 PolarHBondContact O-N 3.18Å; K807-T809 VanDerWaalsContact C-N 3.31Å; K807-T809 PolarHBondContact O-N 3.39Å; K807-C810 WeakPolarHBondContact O-CB 3.48Å; K807-C810 PolarHBondContact O-N 3.21Å; K807-L811 WeakPolarHBondContact O-CG 3.44Å; K807-L811 PolarHBondContact O-N 3.13Å; K807-L811 VanDerWaalsContact O-N 3.08Å; K807-I866 HydrophobicContact CB-CD1 3.68Å; K807-I866 HydrophobicContact CB-CG1 4.05Å; K807-I866 HydrophobicContact CD-CD1 3.72Å; K807-I866 HydrophobicContact CG-CD1 4.36Å |
| 808 | E | 92 | Very high | 85.2 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.2 | -47.1 | 172.6 | 179.7 | -178.4 | -165.6 | 0 | 0 | 111 | W804 E805 C810 L811 I812 A869 | W804-E808 WeakPolarHBondContact O-CB 3.4Å; W804-E808 PolarHBondContact O-N 2.81Å; E805-E808 PolarHBondContact O-N 3.34Å; E808-C810 VanDerWaalsContact C-N 3.32Å; E808-C810 PolarHBondContact O-N 3.45Å; E808-L811 WeakPolarHBondContact O-CB 3.44Å; E808-L811 PolarHBondContact O-N 2.77Å; E808-L811 VanDerWaalsContact O-N 3.09Å; E808-I812 HydrophobicContact CG-CD1 4.12Å; E808-I812 WeakPolarHBondContact O-CG1 3.37Å; E808-I812 PolarHBondContact O-N 3.39Å; E808-A869 HydrophobicContact CG-CB 3.93Å |
| 809 | T | 93.1 | Very high | 85.8 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 10% | 0.104 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | I765 I768 M769 E805 A806 K807 L811 I812 A813 | I765-T809 HydrophobicContact CG2-CG2 4.15Å; I768-T809 HydrophobicContact CB-CG2 3.96Å; I768-T809 HydrophobicContact CG2-CG2 3.63Å; M769-T809 HydrophobicContact CG-CG2 3.53Å; M769-T809 HydrophobicContact SD-CG2 4.48Å; E805-T809 WeakPolarHBondContact O-CB 3.33Å; E805-T809 PolarHBondContact O-N 3.26Å; E805-T809 PolarHBondContact O-OG1 2.6Å; A806-T809 PolarHBondContact O-N 3.47Å; K807-T809 VanDerWaalsContact C-N 3.31Å; K807-T809 PolarHBondContact O-N 3.39Å; T809-L811 VanDerWaalsContact C-N 3.34Å; T809-L811 PolarHBondContact O-N 3.11Å; T809-I812 PolarHBondContact O-N 3.45Å; T809-A813 WeakPolarHBondContact O-CB 3.43Å; T809-A813 PolarHBondContact O-N 3.2Å |
| 810 | C | 94.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 173 | -72.2 | 0 | 0 | 0 | 0 | 111.4 | I768 L790 F794 A806 K807 E808 A813 M814 | I768-C810 WeakPolarHBondContact CD1-SG 3.28Å; L790-C810 HydrophobicContact CD2-CB 4.36Å; F794-C810 HydrophobicContact CE2-CB 3.85Å; F794-C810 HydrophobicContact CZ-CB 4.4Å; A806-C810 PolarHBondContact O-N 2.98Å; A806-C810 PolarHBondContact O-SG 2.94Å; K807-C810 WeakPolarHBondContact O-CB 3.48Å; K807-C810 PolarHBondContact O-N 3.21Å; E808-C810 VanDerWaalsContact C-N 3.32Å; E808-C810 PolarHBondContact O-N 3.45Å; C810-A813 PolarHBondContact O-N 3.35Å; C810-M814 WeakPolarHBondContact O-CB 3.34Å; C810-M814 VanDerWaalsContact O-CG 3.22Å; C810-M814 WeakPolarHBondContact O-CG 3.49Å; C810-M814 PolarHBondContact O-N 3.01Å |
| 811 | L | 94.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 177.4 | -59.3 | -175.7 | 0 | 0 | 0 | 111.6 | F794 K807 E808 T809 M814 R815 A850 I866 A869 A870 N873 | F794-L811 HydrophobicContact CE1-CD2 4.29Å; F794-L811 HydrophobicContact CE2-CD2 4.19Å; F794-L811 HydrophobicContact CZ-CD2 3.56Å; F794-L811 HydrophobicContact CZ-CG 3.87Å; K807-L811 WeakPolarHBondContact O-CG 3.44Å; K807-L811 PolarHBondContact O-N 3.13Å; K807-L811 VanDerWaalsContact O-N 3.08Å; E808-L811 WeakPolarHBondContact O-CB 3.44Å; E808-L811 PolarHBondContact O-N 2.77Å; E808-L811 VanDerWaalsContact O-N 3.09Å; T809-L811 VanDerWaalsContact C-N 3.34Å; T809-L811 PolarHBondContact O-N 3.11Å; L811-M814 HydrophobicContact CD2-SD 4.3Å; L811-M814 PolarHBondContact O-N 3.07Å; L811-R815 PolarHBondContact O-N 3.27Å; L811-A850 HydrophobicContact CD1-CB 3.94Å; L811-A850 HydrophobicContact CD2-CB 4.06Å; L811-I866 HydrophobicContact CD1-CG2 3.7Å; L811-I866 WeakPolarHBondContact CD1-O 3.34Å; L811-A869 HydrophobicContact CB-CB 4.38Å; L811-A869 HydrophobicContact CD1-CB 4.24Å; L811-A870 HydrophobicContact CD1-CB 3.91Å; L811-N873 PolarHBondContact O-ND2 3.3Å |
| 812 | I | 91.3 | Very high | 84.5 | Confident | 51 Ų | 51 | 34.5 Ų | 34.5 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 177.1 | -65.6 | 168.7 | 0 | 0 | 0 | 110.9 | E808 T809 R815 N816 | E808-I812 HydrophobicContact CG-CD1 4.12Å; E808-I812 WeakPolarHBondContact O-CG1 3.37Å; E808-I812 PolarHBondContact O-N 3.39Å; T809-I812 PolarHBondContact O-N 3.45Å; I812-R815 PolarHBondContact O-N 3.11Å; I812-N816 PolarHBondContact O-N 2.84Å |
| 813 | A | 90.6 | Very high | 83.1 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I768 L790 T809 C810 R815 N816 F817 | I768-A813 HydrophobicContact CG2-CB 3.69Å; L790-A813 HydrophobicContact CD1-CB 4.27Å; T809-A813 WeakPolarHBondContact O-CB 3.43Å; T809-A813 PolarHBondContact O-N 3.2Å; C810-A813 PolarHBondContact O-N 3.35Å; A813-R815 VanDerWaalsContact C-N 3.32Å; A813-R815 PolarHBondContact O-N 3.1Å; A813-N816 PolarHBondContact O-N 3.31Å; A813-F817 WeakPolarHBondContact O-CB 3.45Å; A813-F817 PolarHBondContact O-N 3.3Å |
| 814 | M | 90.3 | Very high | 81.3 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 173.3 | -72.7 | 175.2 | -175.4 | 0 | 0 | 111.9 | L790 C810 L811 C818 I843 | L790-M814 HydrophobicContact CB-CE 3.47Å; L790-M814 VanDerWaalsContact CB-CE 3.47Å; L790-M814 HydrophobicContact CB-CG 4.36Å; L790-M814 HydrophobicContact CD1-CG 3.92Å; C810-M814 WeakPolarHBondContact O-CB 3.34Å; C810-M814 VanDerWaalsContact O-CG 3.22Å; C810-M814 WeakPolarHBondContact O-CG 3.49Å; C810-M814 PolarHBondContact O-N 3.01Å; L811-M814 HydrophobicContact CD2-SD 4.3Å; L811-M814 PolarHBondContact O-N 3.07Å; M814-C818 WeakPolarHBondContact O-CB 3.35Å; M814-C818 PolarHBondContact O-N 3.37Å; M814-I843 HydrophobicContact CB-CG2 3.84Å; M814-I843 HydrophobicContact CG-CG2 4.42Å; M814-I843 HydrophobicContact SD-CG2 4.37Å |
| 815 | R | 88.1 | Confident | 79.6 | Confident | 46 Ų | 46 | 36.8 Ų | 36.8 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -55.8 | 174.5 | 178.4 | -172.1 | 57.2 | -155.1 | 13.5 | 111.6 | L811 I812 A813 F817 C818 L819 E872 N873 F877 | L811-R815 PolarHBondContact O-N 3.27Å; I812-R815 PolarHBondContact O-N 3.11Å; A813-R815 VanDerWaalsContact C-N 3.32Å; A813-R815 PolarHBondContact O-N 3.1Å; R815-F817 PolarHBondContact O-N 2.84Å; R815-C818 PolarHBondContact O-N 2.88Å; R815-L819 HydrophobicContact CG-CD1 3.64Å; R815-L819 HydrophobicContact CG-CG 4.09Å; R815-L819 WeakPolarHBondContact O-CG 3.38Å; R815-L819 PolarHBondContact O-N 3.46Å; R815-E872 IonicContact NH1-OE2 2.68Å; R815-N873 WeakPolarHBondContact CB-OD1 3.39Å; R815-N873 WeakPolarHBondContact CD-OD1 3.38Å; R815-N873 PolarHBondContact NE-OD1 2.82Å; R815-N873 PolarHBondContact NH1-OD1 3.48Å; R815-F877 HydrophobicContact CB-CE1 4.21Å; R815-F877 HydrophobicContact CB-CZ 4.14Å; R815-F877 HydrophobicContact CG-CE1 4.12Å |
| 816 | N | 83.1 | Confident | 77.7 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.4 | -42.7 | -178.9 | -71 | -19.6 | 0 | 0 | 0 | 110.5 | R726 G772 I812 A813 S820 | R726-N816 VanDerWaalsContact NH1-CG 3.33Å; R726-N816 PolarHBondContact NH1-OD1 3.29Å; G772-N816 WeakPolarHBondContact O-CB 3.41Å; I812-N816 PolarHBondContact O-N 2.84Å; A813-N816 PolarHBondContact O-N 3.31Å; N816-S820 WeakPolarHBondContact O-CB 3.35Å; N816-S820 PolarHBondContact O-N 3.45Å; N816-S820 VanDerWaalsContact O-N 3.11Å; N816-S820 PolarHBondContact O-OG 2.95Å; N816-S820 VanDerWaalsContact O-OG 3.06Å |
| 817 | F | 79.2 | Confident | 75.6 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.3 | -56.9 | 175.2 | -176.9 | -103.1 | 0 | 0 | 0 | 112.6 | L779 M783 I787 A813 R815 L819 S820 F821 I843 | L779-F817 HydrophobicContact CB-CD2 4.38Å; L779-F817 HydrophobicContact CB-CE2 3.7Å; L779-F817 HydrophobicContact CD1-CD2 3.54Å; L779-F817 HydrophobicContact CD1-CE2 3.75Å; L779-F817 HydrophobicContact CG-CE2 4.33Å; M783-F817 HydrophobicContact CB-CZ 3.93Å; M783-F817 HydrophobicContact CG-CE1 3.55Å; M783-F817 HydrophobicContact CG-CZ 3.43Å; M783-F817 VanDerWaalsContact CG-CZ 3.43Å; M783-F817 HydrophobicContact SD-CE1 3.44Å; M783-F817 WeakPolarHBondContact SD-CE1 3.39Å; M783-F817 HydrophobicContact SD-CZ 3.39Å; M783-F817 WeakPolarHBondContact SD-CZ 3.41Å; I787-F817 HydrophobicContact CD1-CE1 4.16Å; I787-F817 HydrophobicContact CG1-CE1 4.45Å; A813-F817 WeakPolarHBondContact O-CB 3.45Å; A813-F817 PolarHBondContact O-N 3.3Å; R815-F817 PolarHBondContact O-N 2.84Å; F817-L819 VanDerWaalsContact C-N 3.34Å; F817-L819 PolarHBondContact O-N 2.7Å; F817-S820 PolarHBondContact O-N 3.06Å; F817-F821 HydrophobicContact CD2-CD2 4.44Å; F817-F821 AromaticContact CD2-CE2 3.91Å; F817-F821 HydrophobicContact CD2-CE2 3.91Å; F817-F821 HydrophobicContact CE1-CD2 4.47Å; F817-F821 HydrophobicContact CE1-CE2 4.31Å; F817-F821 HydrophobicContact CE2-CD2 4.11Å; F817-F821 AromaticContact CE2-CE2 3.31Å; F817-F821 HydrophobicContact CE2-CE2 3.31Å; F817-F821 HydrophobicContact CE2-CZ 4.07Å; F817-F821 HydrophobicContact CZ-CD2 4.12Å; F817-F821 AromaticContact CZ-CE2 3.54Å; F817-F821 HydrophobicContact CZ-CE2 3.54Å; F817-F821 HydrophobicContact CZ-CZ 4.16Å; F817-F821 WeakPolarHBondContact O-CD2 3.28Å; F817-I843 HydrophobicContact CD1-CD1 4.2Å |
| 818 | C | 76.9 | Confident | 73.7 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 8% | 0.081 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 178.8 | -84.9 | 0 | 0 | 0 | 0 | 113.1 | M814 R815 S820 F821 I843 F877 | M814-C818 WeakPolarHBondContact O-CB 3.35Å; M814-C818 PolarHBondContact O-N 3.37Å; R815-C818 PolarHBondContact O-N 2.88Å; C818-S820 VanDerWaalsContact C-N 3.27Å; C818-S820 PolarHBondContact O-N 3.44Å; C818-F821 PolarHBondContact O-N 3.11Å; C818-I843 WeakPolarHBondContact SG-CD1 3.28Å; C818-F877 HydrophobicContact CB-CD1 4.2Å; C818-F877 HydrophobicContact CB-CE1 3.41Å; C818-F877 VanDerWaalsContact CB-CE1 3.41Å; C818-F877 HydrophobicContact CB-CZ 3.92Å |
| 819 | L | 76 | Confident | 71.9 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.3 | -18.7 | -176.5 | -62 | -178.3 | 0 | 0 | 0 | 113.2 | R815 F817 E876 F877 H880 | R815-L819 HydrophobicContact CG-CD1 3.64Å; R815-L819 HydrophobicContact CG-CG 4.09Å; R815-L819 WeakPolarHBondContact O-CG 3.38Å; R815-L819 PolarHBondContact O-N 3.46Å; F817-L819 VanDerWaalsContact C-N 3.34Å; F817-L819 PolarHBondContact O-N 2.7Å; L819-E876 HydrophobicContact CD1-CB 4.36Å; L819-F877 HydrophobicContact CD2-CD1 4.36Å; L819-H880 HydrophobicContact CD2-CB 3.51Å; L819-H880 WeakPolarHBondContact CD2-ND1 3.39Å |
| 820 | S | 70.7 | Confident | 70 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -82.1 | -17.4 | 177.9 | -77 | 0 | 0 | 0 | 0 | 113.9 | N816 F817 C818 V822 | N816-S820 WeakPolarHBondContact O-CB 3.35Å; N816-S820 PolarHBondContact O-N 3.45Å; N816-S820 VanDerWaalsContact O-N 3.11Å; N816-S820 PolarHBondContact O-OG 2.95Å; N816-S820 VanDerWaalsContact O-OG 3.06Å; F817-S820 PolarHBondContact O-N 3.06Å; C818-S820 VanDerWaalsContact C-N 3.27Å; C818-S820 PolarHBondContact O-N 3.44Å; S820-V822 PolarHBondContact O-N 3.24Å |
| 821 | F | 67.4 | Low | 68 | Low | 39 Ų | 39 | 60.3 Ų | 60.3 | 17% | 0.171 | 34% | 0.339 | C | S | . | . | trans | -92.6 | 94.5 | 176.9 | -81.6 | -93.6 | 0 | 0 | 0 | 111.2 | A780 F817 C818 L836 | A780-F821 HydrophobicContact CB-CE1 3.93Å; A780-F821 HydrophobicContact CB-CZ 4.07Å; F817-F821 HydrophobicContact CD2-CD2 4.44Å; F817-F821 AromaticContact CD2-CE2 3.91Å; F817-F821 HydrophobicContact CD2-CE2 3.91Å; F817-F821 HydrophobicContact CE1-CD2 4.47Å; F817-F821 HydrophobicContact CE1-CE2 4.31Å; F817-F821 HydrophobicContact CE2-CD2 4.11Å; F817-F821 AromaticContact CE2-CE2 3.31Å; F817-F821 HydrophobicContact CE2-CE2 3.31Å; F817-F821 HydrophobicContact CE2-CZ 4.07Å; F817-F821 HydrophobicContact CZ-CD2 4.12Å; F817-F821 AromaticContact CZ-CE2 3.54Å; F817-F821 HydrophobicContact CZ-CE2 3.54Å; F817-F821 HydrophobicContact CZ-CZ 4.16Å; F817-F821 WeakPolarHBondContact O-CD2 3.28Å; C818-F821 PolarHBondContact O-N 3.11Å; F821-L836 HydrophobicContact CB-CD2 3.75Å; F821-L836 HydrophobicContact CD1-CD2 3.84Å; F821-L836 HydrophobicContact CG-CD2 3.91Å | ||
| 822 | V | 60.3 | Low | 66.3 | Low | 79 Ų | 79 | 67.9 Ų | 67.9 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 130.8 | 167.6 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | S820 S824 | S820-V822 PolarHBondContact O-N 3.24Å; V822-S824 PolarHBondContact O-N 3.08Å |
| 823 | P | 50.4 | Low | 64.8 | Low | 35 Ų | 35 | 68.1 Ų | 68.1 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 127.1 | 175.7 | 15.7 | -14.1 | 0 | 0 | 0 | 110.7 | A829 M833 | P823-A829 HydrophobicContact CB-CB 4.4Å; P823-M833 HydrophobicContact CB-CE 3.82Å; P823-M833 HydrophobicContact CB-CG 4.43Å; P823-M833 HydrophobicContact CB-SD 4.18Å; P823-M833 HydrophobicContact CG-CE 3.05Å; P823-M833 HydrophobicContact CG-CG 4.41Å; P823-M833 HydrophobicContact CG-SD 3.56Å; P823-M833 VanDerWaalsContact CG-SD 3.56Å |
| 824 | S | 52 | Low | 63.6 | Low | 90 Ų | 90 | 75.5 Ų | 75.5 | 63% | 0.629 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 133.9 | 159.9 | 47.6 | 0 | 0 | 0 | 0 | 109.1 | V822 A829 | V822-S824 PolarHBondContact O-N 3.08Å; S824-A829 WeakPolarHBondContact O-CB 3.25Å |
| 825 | T | 49.9 | Very low | 62.5 | Low | 150 Ų | 150 | 80.8 Ų | 80.8 | 92% | 0.92 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -54.8 | 135.2 | -175.9 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 826 | G | 49.1 | Very low | 61.5 | Low | 47 Ų | 47 | 80.4 Ų | 80.4 | 49% | 0.485 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 148 | 169.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A828 A829 | G826-A828 VanDerWaalsContact C-N 3.34Å; G826-A828 PolarHBondContact O-N 3.34Å; G826-A829 WeakPolarHBondContact O-CA 3.24Å; G826-A829 WeakPolarHBondContact O-CB 3.43Å; G826-A829 PolarHBondContact O-N 3.16Å |
| 827 | R | 47.8 | Very low | 61 | Low | 230 Ų | 230 | 80.7 Ų | 80.7 | 87% | 0.868 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.6 | -32.6 | -179.7 | -84.4 | -175.5 | 178 | 179.1 | -0.7 | 114.6 | A829 D830 | R827-A829 PolarHBondContact O-N 3.17Å; R827-D830 PolarHBondContact O-N 2.98Å; R827-D830 VanDerWaalsContact O-N 3.17Å |
| 828 | A | 51 | Low | 61 | Low | 69 Ų | 69 | 81.8 Ų | 81.8 | 57% | 0.57 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.1 | -10.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G826 R832 | G826-A828 VanDerWaalsContact C-N 3.34Å; G826-A828 PolarHBondContact O-N 3.34Å; A828-R832 WeakPolarHBondContact O-CD 3.21Å; A828-R832 VanDerWaalsContact O-CG 3.29Å; A828-R832 WeakPolarHBondContact O-CG 3.36Å |
| 829 | A | 54.7 | Low | 61.2 | Low | 12 Ų | 12 | 81.9 Ų | 81.9 | 10% | 0.099 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -77.1 | -28.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P823 S824 G826 R827 R832 M833 | P823-A829 HydrophobicContact CB-CB 4.4Å; S824-A829 WeakPolarHBondContact O-CB 3.25Å; G826-A829 WeakPolarHBondContact O-CA 3.24Å; G826-A829 WeakPolarHBondContact O-CB 3.43Å; G826-A829 PolarHBondContact O-N 3.16Å; R827-A829 PolarHBondContact O-N 3.17Å; A829-R832 CarbonylContact O-C 3.47Å; A829-R832 PolarHBondContact O-N 3.16Å; A829-M833 WeakPolarHBondContact O-CA 3.06Å; A829-M833 WeakPolarHBondContact O-CB 3.36Å; A829-M833 WeakPolarHBondContact O-CG 3.37Å; A829-M833 PolarHBondContact O-N 3.17Å |
| 830 | D | 52.1 | Low | 61.5 | Low | 109 Ų | 109 | 80.4 Ų | 80.4 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -69.2 | -46.6 | -175.4 | -63.2 | -29.8 | 0 | 0 | 0 | 112.2 | R827 R832 M833 E834 | R827-D830 PolarHBondContact O-N 2.98Å; R827-D830 VanDerWaalsContact O-N 3.17Å; D830-R832 PolarHBondContact O-N 3.07Å; D830-M833 WeakPolarHBondContact O-CB 3.45Å; D830-M833 PolarHBondContact O-N 3.13Å; D830-E834 PolarHBondContact O-N 2.87Å; D830-E834 VanDerWaalsContact O-N 3.08Å |
| 831 | E | 54 | Low | 62.2 | Low | 161 Ų | 161 | 80 Ų | 80 | 75% | 0.752 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.6 | -39.2 | 173.3 | -72.1 | -179.2 | 174.3 | 0 | 0 | 112 | M833 E834 L835 | E831-M833 VanDerWaalsContact C-N 3.29Å; E831-M833 PolarHBondContact O-N 3.08Å; E831-E834 PolarHBondContact O-N 2.84Å; E831-L835 PolarHBondContact O-N 2.98Å |
| 832 | R | 58.6 | Low | 63.2 | Low | 160 Ų | 160 | 83.3 Ų | 83.3 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.9 | -36.3 | 174.5 | -73.6 | 179.3 | -177.7 | -175.1 | 1.3 | 111.2 | A828 A829 D830 L836 | A828-R832 WeakPolarHBondContact O-CD 3.21Å; A828-R832 VanDerWaalsContact O-CG 3.29Å; A828-R832 WeakPolarHBondContact O-CG 3.36Å; A829-R832 CarbonylContact O-C 3.47Å; A829-R832 PolarHBondContact O-N 3.16Å; D830-R832 PolarHBondContact O-N 3.07Å; R832-L836 HydrophobicContact CB-CD1 4.39Å; R832-L836 WeakPolarHBondContact O-CB 3.42Å; R832-L836 VanDerWaalsContact O-CD1 3.28Å; R832-L836 WeakPolarHBondContact O-CD1 3.39Å; R832-L836 WeakPolarHBondContact O-CG 3.06Å; R832-L836 PolarHBondContact O-N 3.31Å |
| 833 | M | 59.7 | Low | 64.6 | Low | 55 Ų | 55 | 79.6 Ų | 79.6 | 27% | 0.271 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 178.3 | -84.8 | -73.3 | -146.5 | 0 | 0 | 111.6 | P823 A829 D830 E831 L836 A837 L886 | P823-M833 HydrophobicContact CB-CE 3.82Å; P823-M833 HydrophobicContact CB-CG 4.43Å; P823-M833 HydrophobicContact CB-SD 4.18Å; P823-M833 HydrophobicContact CG-CE 3.05Å; P823-M833 HydrophobicContact CG-CG 4.41Å; P823-M833 HydrophobicContact CG-SD 3.56Å; P823-M833 VanDerWaalsContact CG-SD 3.56Å; A829-M833 WeakPolarHBondContact O-CA 3.06Å; A829-M833 WeakPolarHBondContact O-CB 3.36Å; A829-M833 WeakPolarHBondContact O-CG 3.37Å; A829-M833 PolarHBondContact O-N 3.17Å; D830-M833 WeakPolarHBondContact O-CB 3.45Å; D830-M833 PolarHBondContact O-N 3.13Å; E831-M833 VanDerWaalsContact C-N 3.29Å; E831-M833 PolarHBondContact O-N 3.08Å; M833-L836 PolarHBondContact O-N 3Å; M833-A837 WeakPolarHBondContact O-CB 3.23Å; M833-A837 PolarHBondContact O-N 2.86Å; M833-L886 HydrophobicContact CE-CD2 4.05Å; M833-L886 HydrophobicContact SD-CD2 3.77Å |
| 834 | E | 64.6 | Low | 66.5 | Low | 160 Ų | 160 | 77.9 Ų | 77.9 | 75% | 0.748 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.2 | -43.9 | 178.2 | -164.5 | 171.5 | -165.6 | 0 | 0 | 111.3 | D830 E831 A837 G838 | D830-E834 PolarHBondContact O-N 2.87Å; D830-E834 VanDerWaalsContact O-N 3.08Å; E831-E834 PolarHBondContact O-N 2.84Å; E834-A837 PolarHBondContact O-N 3.49Å; E834-G838 PolarHBondContact O-N 3.35Å |
| 835 | L | 66.1 | Low | 68.4 | Low | 111 Ų | 111 | 76.3 Ų | 76.3 | 58% | 0.581 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 173.5 | -166.7 | 86.8 | 0 | 0 | 0 | 111.7 | M783 E831 G838 H839 | M783-L835 HydrophobicContact CE-CD2 4.49Å; E831-L835 PolarHBondContact O-N 2.98Å; L835-G838 PolarHBondContact O-N 2.95Å; L835-H839 PolarHBondContact O-N 2.85Å; L835-H839 PolarHBondContact O-ND1 3.46Å |
| 836 | L | 69.1 | Low | 70.5 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177 | -82.2 | 158.6 | 0 | 0 | 0 | 111.4 | M783 F821 R832 M833 G838 H839 F840 | M783-L836 HydrophobicContact CE-CD2 3.62Å; M783-L836 HydrophobicContact CE-CG 4.09Å; M783-L836 HydrophobicContact SD-CD2 4.08Å; F821-L836 HydrophobicContact CB-CD2 3.75Å; F821-L836 HydrophobicContact CD1-CD2 3.84Å; F821-L836 HydrophobicContact CG-CD2 3.91Å; R832-L836 HydrophobicContact CB-CD1 4.39Å; R832-L836 WeakPolarHBondContact O-CB 3.42Å; R832-L836 VanDerWaalsContact O-CD1 3.28Å; R832-L836 WeakPolarHBondContact O-CD1 3.39Å; R832-L836 WeakPolarHBondContact O-CG 3.06Å; R832-L836 PolarHBondContact O-N 3.31Å; M833-L836 PolarHBondContact O-N 3Å; L836-G838 PolarHBondContact O-N 3.41Å; L836-H839 PolarHBondContact O-N 3.09Å; L836-F840 VanDerWaalsContact O-CB 3.28Å; L836-F840 WeakPolarHBondContact O-CB 3.46Å; L836-F840 PolarHBondContact O-N 3.35Å |
| 837 | A | 72.2 | Confident | 72.6 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M833 E834 H839 F840 Y841 | M833-A837 WeakPolarHBondContact O-CB 3.23Å; M833-A837 PolarHBondContact O-N 2.86Å; E834-A837 PolarHBondContact O-N 3.49Å; A837-H839 VanDerWaalsContact C-N 3.32Å; A837-H839 PolarHBondContact O-N 2.98Å; A837-F840 WeakPolarHBondContact O-CB 3.1Å; A837-F840 PolarHBondContact O-N 3.4Å; A837-Y841 HydrophobicContact CB-CD2 4.41Å; A837-Y841 HydrophobicContact CB-CE2 4.05Å; A837-Y841 WeakPolarHBondContact O-CD2 3.43Å; A837-Y841 PolarHBondContact O-N 3.12Å |
| 838 | G | 78.1 | Confident | 74.7 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.7 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E834 L835 L836 K842 | E834-G838 PolarHBondContact O-N 3.35Å; L835-G838 PolarHBondContact O-N 2.95Å; L836-G838 PolarHBondContact O-N 3.41Å; G838-K842 WeakPolarHBondContact O-CG 3.2Å; G838-K842 PolarHBondContact O-N 2.98Å; G838-K842 VanDerWaalsContact O-N 3.17Å |
| 839 | H | 81.3 | Confident | 76.7 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 7% | 0.069 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 176 | -68.1 | 108.9 | 0 | 0 | 0 | 112.8 | M783 D784 I787 L835 L836 A837 Y841 K842 I843 | M783-H839 HydrophobicContact CE-CB 3.99Å; M783-H839 WeakPolarHBondContact CE-ND1 3.49Å; M783-H839 HydrophobicContact CG-CB 4.36Å; M783-H839 HydrophobicContact SD-CB 4.28Å; D784-H839 WeakPolarHBondContact CB-NE2 3.38Å; D784-H839 IonicContact OD1-CD2 2.89Å; D784-H839 IonicContact OD1-NE2 2.91Å; D784-H839 PolarHBondContact OD1-NE2 3.39Å; I787-H839 HydrophobicContact CD1-CB 3.59Å; I787-H839 WeakPolarHBondContact CD1-CD2 3.26Å; L835-H839 PolarHBondContact O-N 2.85Å; L835-H839 PolarHBondContact O-ND1 3.46Å; L836-H839 PolarHBondContact O-N 3.09Å; A837-H839 VanDerWaalsContact C-N 3.32Å; A837-H839 PolarHBondContact O-N 2.98Å; H839-Y841 VanDerWaalsContact C-N 3.33Å; H839-Y841 PolarHBondContact O-N 2.99Å; H839-K842 PolarHBondContact O-N 3.3Å; H839-I843 WeakPolarHBondContact O-CG1 3.43Å; H839-I843 PolarHBondContact O-N 3.21Å |
| 840 | F | 83.3 | Confident | 78.4 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 7% | 0.066 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 175.5 | -172.5 | -79.2 | 0 | 0 | 0 | 110.8 | L836 A837 I843 Y844 F877 A881 L886 M888 | L836-F840 VanDerWaalsContact O-CB 3.28Å; L836-F840 WeakPolarHBondContact O-CB 3.46Å; L836-F840 PolarHBondContact O-N 3.35Å; A837-F840 WeakPolarHBondContact O-CB 3.1Å; A837-F840 PolarHBondContact O-N 3.4Å; F840-I843 PolarHBondContact O-N 3.14Å; F840-Y844 VanDerWaalsContact O-CB 3.26Å; F840-Y844 WeakPolarHBondContact O-CB 3.35Å; F840-Y844 PolarHBondContact O-N 2.79Å; F840-F877 HydrophobicContact CE1-CB 4.4Å; F840-F877 HydrophobicContact CE2-CB 4.48Å; F840-F877 HydrophobicContact CE2-CD1 4.31Å; F840-F877 HydrophobicContact CZ-CB 3.75Å; F840-F877 HydrophobicContact CZ-CD1 4.4Å; F840-F877 HydrophobicContact CZ-CG 4.17Å; F840-A881 HydrophobicContact CZ-CB 4.28Å; F840-L886 HydrophobicContact CD2-CD1 4.13Å; F840-L886 HydrophobicContact CE2-CD1 4.01Å; F840-M888 HydrophobicContact CD1-CE 4.45Å; F840-M888 HydrophobicContact CD1-CG 4.31Å; F840-M888 HydrophobicContact CD1-SD 4.19Å; F840-M888 HydrophobicContact CE1-CE 3.82Å; F840-M888 HydrophobicContact CE1-CG 3.99Å; F840-M888 HydrophobicContact CE1-SD 3.35Å; F840-M888 WeakPolarHBondContact CE1-SD 3.29Å; F840-M888 HydrophobicContact CZ-SD 4.03Å |
| 841 | Y | 85.4 | Confident | 80.2 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.3 | -70.9 | -56.7 | 0 | 0 | 0 | 112.7 | A837 H839 I843 Y844 D845 F887 M888 M889 | A837-Y841 HydrophobicContact CB-CD2 4.41Å; A837-Y841 HydrophobicContact CB-CE2 4.05Å; A837-Y841 WeakPolarHBondContact O-CD2 3.43Å; A837-Y841 PolarHBondContact O-N 3.12Å; H839-Y841 VanDerWaalsContact C-N 3.33Å; H839-Y841 PolarHBondContact O-N 2.99Å; Y841-I843 VanDerWaalsContact C-N 3.28Å; Y841-I843 PolarHBondContact O-N 3.36Å; Y841-Y844 PolarHBondContact O-N 3.44Å; Y841-D845 WeakPolarHBondContact O-CB 3.06Å; Y841-D845 PolarHBondContact O-N 3.21Å; Y841-F887 PolarHBondContact OH-O 3.23Å; Y841-M888 HydrophobicContact CE1-CB 4.4Å; Y841-M888 HydrophobicContact CE1-CE 4.5Å; Y841-M888 HydrophobicContact CE1-CG 4.21Å; Y841-M888 WeakPolarHBondContact OH-CA 3.44Å; Y841-M889 PolarHBondContact OH-N 3.15Å |
| 842 | K | 87.7 | Confident | 81.8 | Confident | 109 Ų | 109 | 48.9 Ų | 48.9 | 47% | 0.474 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.1 | -45.9 | 175.9 | -74.8 | 174.6 | 179.5 | 178.4 | 0 | 111.2 | D784 G838 H839 H846 | D784-K842 IonicContact OD1-NZ 3.91Å; D784-K842 PolarHBondContact OD1-NZ 2.82Å; G838-K842 WeakPolarHBondContact O-CG 3.2Å; G838-K842 PolarHBondContact O-N 2.98Å; G838-K842 VanDerWaalsContact O-N 3.17Å; H839-K842 PolarHBondContact O-N 3.3Å; K842-H846 WeakPolarHBondContact O-CB 3.24Å; K842-H846 PolarHBondContact O-N 3.1Å; K842-H846 VanDerWaalsContact O-N 3.15Å |
| 843 | I | 89.8 | Confident | 83 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.8 | -43.7 | -179.6 | -69.1 | 168.4 | 0 | 0 | 0 | 111 | I787 M814 F817 C818 H839 F840 Y841 H846 Q847 F877 | I787-I843 HydrophobicContact CD1-CD1 3.68Å; I787-I843 HydrophobicContact CD1-CG1 4.17Å; I787-I843 HydrophobicContact CG1-CD1 3.83Å; I787-I843 HydrophobicContact CG1-CG1 4.15Å; I787-I843 HydrophobicContact CG2-CG1 4.17Å; M814-I843 HydrophobicContact CB-CG2 3.84Å; M814-I843 HydrophobicContact CG-CG2 4.42Å; M814-I843 HydrophobicContact SD-CG2 4.37Å; F817-I843 HydrophobicContact CD1-CD1 4.2Å; C818-I843 WeakPolarHBondContact SG-CD1 3.28Å; H839-I843 WeakPolarHBondContact O-CG1 3.43Å; H839-I843 PolarHBondContact O-N 3.21Å; F840-I843 PolarHBondContact O-N 3.14Å; Y841-I843 VanDerWaalsContact C-N 3.28Å; Y841-I843 PolarHBondContact O-N 3.36Å; I843-H846 WeakPolarHBondContact O-CB 3.37Å; I843-H846 PolarHBondContact O-N 3.03Å; I843-Q847 WeakPolarHBondContact O-CG 3.32Å; I843-Q847 PolarHBondContact O-N 3.22Å; I843-Q847 PolarHBondContact O-NE2 3Å; I843-F877 HydrophobicContact CG2-CE2 3.61Å; I843-F877 HydrophobicContact CG2-CZ 3.68Å |
| 844 | Y | 90.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -49.2 | -180 | -176.4 | -101.7 | 0 | 0 | 0 | 112.1 | F840 Y841 H846 Q847 I848 I874 F877 I878 M888 R892 G896 | F840-Y844 VanDerWaalsContact O-CB 3.26Å; F840-Y844 WeakPolarHBondContact O-CB 3.35Å; F840-Y844 PolarHBondContact O-N 2.79Å; Y841-Y844 PolarHBondContact O-N 3.44Å; Y844-H846 PolarHBondContact O-N 3.43Å; Y844-Q847 WeakPolarHBondContact O-CB 3.44Å; Y844-Q847 PolarHBondContact O-N 2.63Å; Y844-I848 HydrophobicContact CD1-CD1 3.68Å; Y844-I848 HydrophobicContact CE1-CD1 3.34Å; Y844-I848 HydrophobicContact CE1-CG1 4.33Å; Y844-I848 PolarHBondContact O-N 2.69Å; Y844-I874 HydrophobicContact CE2-CG2 4.11Å; Y844-F877 HydrophobicContact CD2-CB 3.83Å; Y844-F877 AromaticContact CD2-CD2 3.94Å; Y844-F877 HydrophobicContact CD2-CD2 3.94Å; Y844-F877 HydrophobicContact CD2-CG 4.36Å; Y844-F877 HydrophobicContact CE2-CB 4.17Å; Y844-I878 HydrophobicContact CE2-CG1 4.13Å; Y844-M888 HydrophobicContact CD1-CE 3.84Å; Y844-M888 HydrophobicContact CD2-CE 4.17Å; Y844-M888 HydrophobicContact CE1-CE 3.82Å; Y844-M888 HydrophobicContact CE2-CE 4.19Å; Y844-M888 HydrophobicContact CG-CE 4Å; Y844-R892 WeakPolarHBondContact CE1-O 3.41Å; Y844-G896 WeakPolarHBondContact OH-CA 3.35Å |
| 845 | D | 91.4 | Very high | 84 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.6 | -34.6 | 176.3 | -74.1 | -12.2 | 0 | 0 | 0 | 110.8 | Y841 I848 A849 R892 | Y841-D845 WeakPolarHBondContact O-CB 3.06Å; Y841-D845 PolarHBondContact O-N 3.21Å; D845-I848 PolarHBondContact O-N 3.3Å; D845-A849 PolarHBondContact O-N 3.15Å; D845-R892 WeakPolarHBondContact OD1-CD 3.12Å; D845-R892 IonicContact OD1-NE 2.66Å; D845-R892 PolarHBondContact OD1-NE 3.34Å; D845-R892 IonicContact OD2-CZ 3.63Å; D845-R892 IonicContact OD2-NE 2.73Å; D845-R892 PolarHBondContact OD2-NE 2.64Å; D845-R892 IonicContact OD2-NH2 3.87Å |
| 846 | H | 93 | Very high | 83.9 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 12% | 0.12 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -38.1 | 173.7 | -163 | 73.6 | 0 | 0 | 0 | 113.2 | F794 K842 I843 Y844 I848 A849 A850 | F794-H846 AromaticContact CD1-NE2 3.83Å; F794-H846 AromaticContact CD2-CE1 3.77Å; F794-H846 AromaticContact CD2-NE2 3.1Å; F794-H846 WeakPolarHBondContact CD2-NE2 3.45Å; F794-H846 AromaticContact CE2-NE2 3.36Å; F794-H846 WeakPolarHBondContact CE2-NE2 3.49Å; F794-H846 AromaticContact CG-CE1 3.72Å; F794-H846 AromaticContact CG-NE2 3.37Å; F794-H846 WeakPolarHBondContact CG-NE2 3.25Å; F794-H846 AromaticContact CZ-NE2 3.82Å; K842-H846 WeakPolarHBondContact O-CB 3.24Å; K842-H846 PolarHBondContact O-N 3.1Å; K842-H846 VanDerWaalsContact O-N 3.15Å; I843-H846 WeakPolarHBondContact O-CB 3.37Å; I843-H846 PolarHBondContact O-N 3.03Å; Y844-H846 PolarHBondContact O-N 3.43Å; H846-I848 VanDerWaalsContact C-N 3.32Å; H846-I848 PolarHBondContact O-N 2.98Å; H846-A849 PolarHBondContact O-N 3.45Å; H846-A850 VanDerWaalsContact O-CB 3.31Å; H846-A850 WeakPolarHBondContact O-CB 3.31Å; H846-A850 PolarHBondContact O-N 3.36Å |
| 847 | Q | 93.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 172.5 | -54.6 | -51.2 | -57.1 | 0 | 0 | 111.1 | I843 Y844 A849 A850 S851 A870 N873 I874 F877 | I843-Q847 WeakPolarHBondContact O-CG 3.32Å; I843-Q847 PolarHBondContact O-N 3.22Å; I843-Q847 PolarHBondContact O-NE2 3Å; Y844-Q847 WeakPolarHBondContact O-CB 3.44Å; Y844-Q847 PolarHBondContact O-N 2.63Å; Q847-A849 VanDerWaalsContact C-N 3.33Å; Q847-A849 PolarHBondContact O-N 3.29Å; Q847-A850 PolarHBondContact O-N 3.39Å; Q847-S851 PolarHBondContact O-N 3.28Å; Q847-S851 PolarHBondContact O-OG 3.49Å; Q847-A870 WeakPolarHBondContact O-CB 3.36Å; Q847-N873 HydrophobicContact CG-CB 3.97Å; Q847-N873 PolarHBondContact OE1-ND2 3Å; Q847-I874 HydrophobicContact CB-CD1 4.35Å; Q847-I874 HydrophobicContact CB-CG1 3.75Å; Q847-F877 HydrophobicContact CG-CD2 3.95Å; Q847-F877 HydrophobicContact CG-CE2 3.47Å; Q847-F877 VanDerWaalsContact CG-CE2 3.47Å |
| 848 | I | 92.9 | Very high | 82.5 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 176.9 | -65.7 | 166.2 | 0 | 0 | 0 | 110.2 | Y844 D845 H846 S851 K852 I874 V895 Q899 | Y844-I848 HydrophobicContact CD1-CD1 3.68Å; Y844-I848 HydrophobicContact CE1-CD1 3.34Å; Y844-I848 HydrophobicContact CE1-CG1 4.33Å; Y844-I848 PolarHBondContact O-N 2.69Å; D845-I848 PolarHBondContact O-N 3.3Å; H846-I848 VanDerWaalsContact C-N 3.32Å; H846-I848 PolarHBondContact O-N 2.98Å; I848-S851 PolarHBondContact O-N 2.91Å; I848-S851 PolarHBondContact O-OG 2.72Å; I848-K852 WeakPolarHBondContact O-CG 3.43Å; I848-K852 PolarHBondContact O-N 3.33Å; I848-I874 HydrophobicContact CG1-CD1 4.1Å; I848-I874 HydrophobicContact CG1-CG1 4.37Å; I848-V895 HydrophobicContact CD1-CG1 4.17Å; I848-V895 HydrophobicContact CG2-CG1 4.27Å; I848-Q899 HydrophobicContact CG2-CB 4.49Å |
| 849 | A | 91.6 | Very high | 81.3 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | D845 H846 Q847 S851 K852 | D845-A849 PolarHBondContact O-N 3.15Å; H846-A849 PolarHBondContact O-N 3.45Å; Q847-A849 VanDerWaalsContact C-N 3.33Å; Q847-A849 PolarHBondContact O-N 3.29Å; A849-S851 PolarHBondContact O-N 3.47Å; A849-K852 PolarHBondContact O-N 3.25Å |
| 850 | A | 91 | Very high | 80.7 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -37 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F794 L811 H846 Q847 K852 L853 I866 A870 | F794-A850 HydrophobicContact CE1-CB 4.32Å; L811-A850 HydrophobicContact CD1-CB 3.94Å; L811-A850 HydrophobicContact CD2-CB 4.06Å; H846-A850 VanDerWaalsContact O-CB 3.31Å; H846-A850 WeakPolarHBondContact O-CB 3.31Å; H846-A850 PolarHBondContact O-N 3.36Å; Q847-A850 PolarHBondContact O-N 3.39Å; A850-K852 PolarHBondContact O-N 3.27Å; A850-L853 HydrophobicContact CB-CD1 4.36Å; A850-L853 VanDerWaalsContact O-CB 3.32Å; A850-L853 WeakPolarHBondContact O-CB 3.23Å; A850-L853 WeakPolarHBondContact O-CG 3.49Å; A850-L853 PolarHBondContact O-N 2.9Å; A850-L853 VanDerWaalsContact O-N 3.14Å; A850-I866 HydrophobicContact CB-CG2 4.23Å; A850-A870 HydrophobicContact CB-CB 4.14Å |
| 851 | S | 91 | Very high | 80.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -18.5 | 175.8 | 66.5 | 0 | 0 | 0 | 0 | 113.6 | Q847 I848 A849 R867 Q899 | Q847-S851 PolarHBondContact O-N 3.28Å; Q847-S851 PolarHBondContact O-OG 3.49Å; I848-S851 PolarHBondContact O-N 2.91Å; I848-S851 PolarHBondContact O-OG 2.72Å; A849-S851 PolarHBondContact O-N 3.47Å; S851-R867 WeakPolarHBondContact O-CD 3.44Å; S851-R867 WeakPolarHBondContact O-CG 3.44Å; S851-Q899 WeakPolarHBondContact OG-CG 3.19Å |
| 852 | K | 87.4 | Confident | 79.8 | Confident | 114 Ų | 114 | 55 Ų | 55 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6.5 | 175.3 | -66.4 | 172.4 | -177.8 | 177.8 | 0 | 113.5 | I848 A849 A850 K854 Q899 | I848-K852 WeakPolarHBondContact O-CG 3.43Å; I848-K852 PolarHBondContact O-N 3.33Å; A849-K852 PolarHBondContact O-N 3.25Å; A850-K852 PolarHBondContact O-N 3.27Å; K852-K854 PolarHBondContact O-N 2.95Å; K852-K854 VanDerWaalsContact O-N 3.14Å; K852-Q899 HydrophobicContact CG-CG 4.39Å |
| 853 | L | 83.2 | Confident | 79.6 | Confident | 54 Ų | 54 | 50 Ų | 50 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | trans | -63.6 | 116 | -179.8 | -69.4 | 171.8 | 0 | 0 | 0 | 110.3 | F794 A850 T863 I866 R867 | F794-L853 HydrophobicContact CD1-CD1 4.24Å; F794-L853 HydrophobicContact CE1-CD1 4.35Å; A850-L853 HydrophobicContact CB-CD1 4.36Å; A850-L853 VanDerWaalsContact O-CB 3.32Å; A850-L853 WeakPolarHBondContact O-CB 3.23Å; A850-L853 WeakPolarHBondContact O-CG 3.49Å; A850-L853 PolarHBondContact O-N 2.9Å; A850-L853 VanDerWaalsContact O-N 3.14Å; L853-T863 HydrophobicContact CB-CG2 4.14Å; L853-T863 PolarHBondContact O-OG1 2.89Å; L853-T863 VanDerWaalsContact O-OG1 3.08Å; L853-I866 HydrophobicContact CD1-CG2 4.04Å; L853-R867 WeakPolarHBondContact O-CD 3.34Å; L853-R867 WeakPolarHBondContact O-CG 3.41Å | ||
| 854 | K | 75.8 | Confident | 79.6 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | trans | -124.8 | 93.2 | 170.8 | -71.6 | -170.3 | 178.7 | -171.3 | 0 | 109.6 | K852 F979 W1033 | K852-K854 PolarHBondContact O-N 2.95Å; K852-K854 VanDerWaalsContact O-N 3.14Å; K854-F979 HydrophobicContact CD-CZ 4.1Å; K854-W1033 HydrophobicContact CB-CZ2 4.08Å; K854-W1033 HydrophobicContact CD-CH2 3.81Å; K854-W1033 HydrophobicContact CD-CZ2 4.22Å; K854-W1033 HydrophobicContact CD-CZ3 4.08Å | ||
| 855 | E | 70 | Confident | 79.5 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | trans | -110.6 | 112.8 | 167.9 | -61.8 | -164.9 | 151 | 0 | 0 | 109.5 | R801 V862 T863 | R801-E855 IonicContact CZ-OE1 3.7Å; R801-E855 VanDerWaalsContact CZ-OE1 3.24Å; R801-E855 IonicContact NE-OE1 3.49Å; R801-E855 PolarHBondContact NE-OE1 2.85Å; R801-E855 IonicContact NE-OE2 3.4Å; R801-E855 PolarHBondContact NE-OE2 2.94Å; R801-E855 IonicContact NH2-OE1 3.68Å; R801-E855 PolarHBondContact NH2-OE1 3.06Å; E855-V862 HydrophobicContact CB-CG2 4.37Å; E855-V862 WeakPolarHBondContact O-CG2 3.47Å; E855-V862 PolarHBondContact O-N 2.99Å; E855-T863 HydrophobicContact CB-CG2 3.87Å; E855-T863 HydrophobicContact CG-CG2 4.21Å; E855-T863 PolarHBondContact N-OG1 3.44Å | ||
| 856 | R | 63.1 | Low | 79.4 | Confident | 122 Ų | 122 | 52 Ų | 52 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.3 | 172.8 | -67.5 | -164.6 | 177.8 | 173.9 | -5.6 | 110.5 | G860 D861 W1033 | R856-G860 WeakPolarHBondContact CA-O 3.5Å; R856-D861 HydrophobicContact CG-CB 4.33Å; R856-W1033 HydrophobicContact CB-CB 4.16Å; R856-W1033 HydrophobicContact CG-CB 4.16Å |
| 857 | T | 60.7 | Low | 79.4 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 36% | 0.362 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 179.8 | 167.2 | 68.9 | 0 | 0 | 0 | 0 | 109.8 | K859 G860 V862 | T857-K859 PolarHBondContact O-N 3.43Å; T857-K859 VanDerWaalsContact O-N 3.09Å; T857-K859 PolarHBondContact OG1-N 3.34Å; T857-G860 PolarHBondContact N-O 3.24Å; T857-G860 PolarHBondContact O-N 2.96Å; T857-V862 HydrophobicContact CG2-CG1 3.78Å; T857-V862 HydrophobicContact CG2-CG2 4Å; T857-V862 WeakPolarHBondContact OG1-CG1 3.33Å |
| 858 | V | 52.3 | Low | 79.4 | Confident | 158 Ų | 158 | 53.8 Ų | 53.8 | 96% | 0.958 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.4 | 171.5 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 859 | K | 52.3 | Low | 79.4 | Confident | 203 Ų | 203 | 53.5 Ų | 53.5 | 88% | 0.883 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.1 | 178.5 | -63.4 | -172.5 | 177.2 | -175.9 | 0 | 114.5 | T857 | T857-K859 PolarHBondContact O-N 3.43Å; T857-K859 VanDerWaalsContact O-N 3.09Å; T857-K859 PolarHBondContact OG1-N 3.34Å |
| 860 | G | 68.4 | Low | 79.6 | Confident | 31 Ų | 31 | 51 Ų | 51 | 32% | 0.32 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 104 | -159.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R856 T857 V862 | R856-G860 WeakPolarHBondContact CA-O 3.5Å; T857-G860 PolarHBondContact N-O 3.24Å; T857-G860 PolarHBondContact O-N 2.96Å; G860-V862 PolarHBondContact O-N 2.97Å |
| 861 | D | 74.9 | Confident | 79.8 | Confident | 37 Ų | 37 | 51 Ų | 51 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 103.2 | -179 | -176.9 | -0.9 | 0 | 0 | 0 | 111.1 | R856 T863 L864 R867 | R856-D861 HydrophobicContact CG-CB 4.33Å; D861-T863 VanDerWaalsContact C-N 3.27Å; D861-T863 WeakPolarHBondContact OD1-CA 3.48Å; D861-T863 WeakPolarHBondContact OD1-CB 3.16Å; D861-T863 PolarHBondContact OD1-N 2.74Å; D861-T863 PolarHBondContact OD1-OG1 3.28Å; D861-L864 PolarHBondContact OD1-N 3.35Å; D861-R867 IonicContact OD2-CZ 2.91Å; D861-R867 IonicContact OD2-NE 3.62Å; D861-R867 IonicContact OD2-NH2 3.49Å; D861-R867 PolarHBondContact OD2-NH2 3.16Å |
| 862 | V | 75.6 | Confident | 79.9 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 22% | 0.218 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -15.4 | 178.3 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | E855 T857 G860 | E855-V862 HydrophobicContact CB-CG2 4.37Å; E855-V862 WeakPolarHBondContact O-CG2 3.47Å; E855-V862 PolarHBondContact O-N 2.99Å; T857-V862 HydrophobicContact CG2-CG1 3.78Å; T857-V862 HydrophobicContact CG2-CG2 4Å; T857-V862 WeakPolarHBondContact OG1-CG1 3.33Å; G860-V862 PolarHBondContact O-N 2.97Å |
| 863 | T | 84 | Confident | 80.3 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.6 | -178.9 | 43.3 | 0 | 0 | 0 | 0 | 113.4 | L853 E855 D861 H865 I866 R867 | L853-T863 HydrophobicContact CB-CG2 4.14Å; L853-T863 PolarHBondContact O-OG1 2.89Å; L853-T863 VanDerWaalsContact O-OG1 3.08Å; E855-T863 HydrophobicContact CB-CG2 3.87Å; E855-T863 HydrophobicContact CG-CG2 4.21Å; E855-T863 PolarHBondContact N-OG1 3.44Å; D861-T863 VanDerWaalsContact C-N 3.27Å; D861-T863 WeakPolarHBondContact OD1-CA 3.48Å; D861-T863 WeakPolarHBondContact OD1-CB 3.16Å; D861-T863 PolarHBondContact OD1-N 2.74Å; D861-T863 PolarHBondContact OD1-OG1 3.28Å; T863-H865 VanDerWaalsContact C-N 3.3Å; T863-H865 PolarHBondContact O-N 3.36Å; T863-I866 HydrophobicContact CG2-CD1 4.29Å; T863-I866 WeakPolarHBondContact O-CB 3.17Å; T863-I866 PolarHBondContact O-N 2.73Å; T863-I866 VanDerWaalsContact O-N 3.11Å; T863-R867 PolarHBondContact O-N 3.16Å |
| 864 | L | 89 | Confident | 80.8 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 13% | 0.131 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.2 | -43 | -178 | -170.9 | 68.4 | 0 | 0 | 0 | 113 | D861 R867 R868 N908 Q911 | D861-L864 PolarHBondContact OD1-N 3.35Å; L864-R867 PolarHBondContact O-N 3.35Å; L864-R868 WeakPolarHBondContact O-CB 3.46Å; L864-R868 PolarHBondContact O-N 3.41Å; L864-N908 HydrophobicContact CD1-CB 4.36Å; L864-Q911 HydrophobicContact CD1-CB 4Å; L864-Q911 HydrophobicContact CD1-CG 4.13Å |
| 865 | H | 87.6 | Confident | 81.7 | Confident | 71 Ų | 71 | 46.4 Ų | 46.4 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 178.5 | -69.5 | -81 | 0 | 0 | 0 | 112.6 | W804 T863 R868 A869 | W804-H865 HydrophobicContact CE3-CB 3.66Å; W804-H865 AromaticContact CE3-CD2 3.96Å; W804-H865 AromaticContact CE3-CG 3.94Å; W804-H865 AromaticContact CH2-CD2 3.86Å; W804-H865 HydrophobicContact CZ3-CB 3.6Å; W804-H865 AromaticContact CZ3-CD2 3.54Å; W804-H865 AromaticContact CZ3-CG 3.47Å; W804-H865 VanDerWaalsContact CZ3-CG 3.47Å; T863-H865 VanDerWaalsContact C-N 3.3Å; T863-H865 PolarHBondContact O-N 3.36Å; H865-R868 PolarHBondContact O-N 3.47Å; H865-A869 PolarHBondContact O-N 3.47Å |
| 866 | I | 91.1 | Very high | 82.8 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.3 | -54.9 | 173.7 | 0 | 0 | 0 | 110 | F794 W804 K807 L811 A850 L853 T863 R868 A869 A870 | F794-I866 HydrophobicContact CE1-CG2 4.06Å; W804-I866 HydrophobicContact CB-CD1 3.88Å; W804-I866 HydrophobicContact CB-CG1 4.2Å; K807-I866 HydrophobicContact CB-CD1 3.68Å; K807-I866 HydrophobicContact CB-CG1 4.05Å; K807-I866 HydrophobicContact CD-CD1 3.72Å; K807-I866 HydrophobicContact CG-CD1 4.36Å; L811-I866 HydrophobicContact CD1-CG2 3.7Å; L811-I866 WeakPolarHBondContact CD1-O 3.34Å; A850-I866 HydrophobicContact CB-CG2 4.23Å; L853-I866 HydrophobicContact CD1-CG2 4.04Å; T863-I866 HydrophobicContact CG2-CD1 4.29Å; T863-I866 WeakPolarHBondContact O-CB 3.17Å; T863-I866 PolarHBondContact O-N 2.73Å; T863-I866 VanDerWaalsContact O-N 3.11Å; I866-R868 VanDerWaalsContact C-N 3.34Å; I866-R868 PolarHBondContact O-N 2.9Å; I866-A869 PolarHBondContact O-N 2.91Å; I866-A870 WeakPolarHBondContact O-CB 3.29Å; I866-A870 PolarHBondContact O-N 3.36Å |
| 867 | R | 92.4 | Very high | 84.1 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 178.5 | -67.7 | -162.8 | -72.1 | 143.4 | 1.2 | 111.8 | S851 L853 D861 T863 L864 A870 I871 E903 D906 Q911 | S851-R867 WeakPolarHBondContact O-CD 3.44Å; S851-R867 WeakPolarHBondContact O-CG 3.44Å; L853-R867 WeakPolarHBondContact O-CD 3.34Å; L853-R867 WeakPolarHBondContact O-CG 3.41Å; D861-R867 IonicContact OD2-CZ 2.91Å; D861-R867 IonicContact OD2-NE 3.62Å; D861-R867 IonicContact OD2-NH2 3.49Å; D861-R867 PolarHBondContact OD2-NH2 3.16Å; T863-R867 PolarHBondContact O-N 3.16Å; L864-R867 PolarHBondContact O-N 3.35Å; R867-A870 WeakPolarHBondContact O-CB 3.39Å; R867-A870 PolarHBondContact O-N 3.41Å; R867-I871 WeakPolarHBondContact O-CG1 3.26Å; R867-I871 PolarHBondContact O-N 2.89Å; R867-E903 IonicContact CZ-OE2 3.44Å; R867-E903 IonicContact NH1-OE1 3.24Å; R867-E903 PolarHBondContact NH1-OE1 2.72Å; R867-E903 IonicContact NH1-OE2 3.91Å; R867-E903 PolarHBondContact NH1-OE2 2.94Å; R867-D906 IonicContact CZ-OD2 2.88Å; R867-D906 VanDerWaalsContact CZ-OD2 3.31Å; R867-D906 IonicContact NH1-OD2 2.92Å; R867-D906 PolarHBondContact NH1-OD2 3.46Å; R867-D906 IonicContact NH2-OD2 2.98Å; R867-D906 PolarHBondContact NH2-OD2 3.28Å; R867-Q911 VanDerWaalsContact CB-NE2 3.35Å |
| 868 | R | 92.3 | Very high | 85.5 | Confident | 61 Ų | 61 | 37.5 Ų | 37.5 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -52.2 | 176.1 | -176.9 | -178.4 | -60.2 | -177.2 | 3.4 | 111.8 | L864 H865 I866 A870 I871 E872 T910 I914 | L864-R868 WeakPolarHBondContact O-CB 3.46Å; L864-R868 PolarHBondContact O-N 3.41Å; H865-R868 PolarHBondContact O-N 3.47Å; I866-R868 VanDerWaalsContact C-N 3.34Å; I866-R868 PolarHBondContact O-N 2.9Å; R868-A870 VanDerWaalsContact C-N 3.26Å; R868-A870 PolarHBondContact O-N 2.91Å; R868-I871 PolarHBondContact O-N 3.09Å; R868-E872 PolarHBondContact O-N 3.14Å; R868-E872 VanDerWaalsContact O-N 3.1Å; R868-T910 VanDerWaalsContact CZ-CG2 3.46Å; R868-I914 HydrophobicContact CG-CD1 3.6Å |
| 869 | A | 93.3 | Very high | 87.3 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E808 L811 H865 I866 E872 N873 | E808-A869 HydrophobicContact CG-CB 3.93Å; L811-A869 HydrophobicContact CB-CB 4.38Å; L811-A869 HydrophobicContact CD1-CB 4.24Å; H865-A869 PolarHBondContact O-N 3.47Å; I866-A869 PolarHBondContact O-N 2.91Å; A869-E872 PolarHBondContact O-N 3.05Å; A869-N873 VanDerWaalsContact O-CB 3.29Å; A869-N873 WeakPolarHBondContact O-CB 3.32Å; A869-N873 PolarHBondContact O-N 3.08Å; A869-N873 PolarHBondContact O-ND2 3.36Å; A869-N873 PolarHBondContact O-OD1 3.33Å |
| 870 | A | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L811 Q847 A850 I866 R867 R868 N873 I874 | L811-A870 HydrophobicContact CD1-CB 3.91Å; Q847-A870 WeakPolarHBondContact O-CB 3.36Å; A850-A870 HydrophobicContact CB-CB 4.14Å; I866-A870 WeakPolarHBondContact O-CB 3.29Å; I866-A870 PolarHBondContact O-N 3.36Å; R867-A870 WeakPolarHBondContact O-CB 3.39Å; R867-A870 PolarHBondContact O-N 3.41Å; R868-A870 VanDerWaalsContact C-N 3.26Å; R868-A870 PolarHBondContact O-N 2.91Å; A870-N873 PolarHBondContact O-N 2.96Å; A870-I874 VanDerWaalsContact O-CG1 3.23Å; A870-I874 WeakPolarHBondContact O-CG1 3.39Å; A870-I874 PolarHBondContact O-N 2.95Å |
| 871 | I | 95.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.9 | -50.6 | 177.2 | -73.2 | 171.4 | 0 | 0 | 0 | 111.1 | R867 R868 N873 I874 R875 L900 E903 Q911 I914 A915 | R867-I871 WeakPolarHBondContact O-CG1 3.26Å; R867-I871 PolarHBondContact O-N 2.89Å; R868-I871 PolarHBondContact O-N 3.09Å; I871-N873 PolarHBondContact O-N 3.24Å; I871-I874 PolarHBondContact O-N 3.36Å; I871-R875 PolarHBondContact O-N 3.47Å; I871-L900 HydrophobicContact CB-CD2 4.24Å; I871-L900 HydrophobicContact CG1-CD2 4.3Å; I871-L900 HydrophobicContact CG2-CD2 3.73Å; I871-E903 HydrophobicContact CD1-CB 3.55Å; I871-E903 HydrophobicContact CD1-CG 3.68Å; I871-E903 HydrophobicContact CG1-CB 4.3Å; I871-E903 HydrophobicContact CG1-CG 4.13Å; I871-Q911 HydrophobicContact CD1-CG 4.39Å; I871-I914 HydrophobicContact CG2-CG2 3.87Å; I871-A915 HydrophobicContact CD1-CB 4.25Å; I871-A915 HydrophobicContact CG2-CB 4.49Å |
| 872 | E | 94.7 | Very high | 89.9 | Confident | 58 Ų | 58 | 22.6 Ų | 22.6 | 27% | 0.271 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 176.9 | -69.5 | 177.1 | -175.1 | 0 | 0 | 111 | R815 R868 A869 R875 E876 I914 | R815-E872 IonicContact NH1-OE2 2.68Å; R868-E872 PolarHBondContact O-N 3.14Å; R868-E872 VanDerWaalsContact O-N 3.1Å; A869-E872 PolarHBondContact O-N 3.05Å; E872-R875 WeakPolarHBondContact O-CB 3.45Å; E872-R875 PolarHBondContact O-N 3.05Å; E872-E876 WeakPolarHBondContact O-CG 3.37Å; E872-E876 PolarHBondContact O-N 2.91Å; E872-I914 HydrophobicContact CG-CG2 4.06Å |
| 873 | N | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 179.2 | -68.1 | -7.8 | 0 | 0 | 0 | 112.6 | L811 R815 Q847 A869 A870 I871 R875 E876 F877 | L811-N873 PolarHBondContact O-ND2 3.3Å; R815-N873 WeakPolarHBondContact CB-OD1 3.39Å; R815-N873 WeakPolarHBondContact CD-OD1 3.38Å; R815-N873 PolarHBondContact NE-OD1 2.82Å; R815-N873 PolarHBondContact NH1-OD1 3.48Å; Q847-N873 HydrophobicContact CG-CB 3.97Å; Q847-N873 PolarHBondContact OE1-ND2 3Å; A869-N873 VanDerWaalsContact O-CB 3.29Å; A869-N873 WeakPolarHBondContact O-CB 3.32Å; A869-N873 PolarHBondContact O-N 3.08Å; A869-N873 PolarHBondContact O-ND2 3.36Å; A869-N873 PolarHBondContact O-OD1 3.33Å; A870-N873 PolarHBondContact O-N 2.96Å; I871-N873 PolarHBondContact O-N 3.24Å; N873-R875 VanDerWaalsContact C-N 3.28Å; N873-R875 PolarHBondContact O-N 3.3Å; N873-E876 PolarHBondContact O-N 2.87Å; N873-F877 HydrophobicContact CB-CE2 4.2Å; N873-F877 VanDerWaalsContact O-CB 3.29Å; N873-F877 WeakPolarHBondContact O-CB 3.38Å; N873-F877 VanDerWaalsContact O-CD2 3.23Å; N873-F877 WeakPolarHBondContact O-CD2 3.35Å; N873-F877 WeakPolarHBondContact O-CG 3.41Å; N873-F877 PolarHBondContact O-N 3.23Å |
| 874 | I | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 174.7 | -69.1 | 162.5 | 0 | 0 | 0 | 109.7 | Y844 Q847 I848 A870 I871 F877 I878 L900 | Y844-I874 HydrophobicContact CE2-CG2 4.11Å; Q847-I874 HydrophobicContact CB-CD1 4.35Å; Q847-I874 HydrophobicContact CB-CG1 3.75Å; I848-I874 HydrophobicContact CG1-CD1 4.1Å; I848-I874 HydrophobicContact CG1-CG1 4.37Å; A870-I874 VanDerWaalsContact O-CG1 3.23Å; A870-I874 WeakPolarHBondContact O-CG1 3.39Å; A870-I874 PolarHBondContact O-N 2.95Å; I871-I874 PolarHBondContact O-N 3.36Å; I874-F877 PolarHBondContact O-N 3.4Å; I874-I878 HydrophobicContact CG2-CD1 3.94Å; I874-I878 VanDerWaalsContact O-CG1 3.32Å; I874-I878 WeakPolarHBondContact O-CG1 2.99Å; I874-I878 PolarHBondContact O-N 3.29Å; I874-L900 HydrophobicContact CB-CD2 4.23Å; I874-L900 HydrophobicContact CG2-CD1 3.98Å; I874-L900 HydrophobicContact CG2-CD2 4.1Å; I874-L900 HydrophobicContact CG2-CG 3.97Å |
| 875 | R | 94.8 | Very high | 89 | Confident | 49 Ų | 49 | 39 Ų | 39 | 19% | 0.185 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -53.1 | 175.9 | -177.1 | -170.9 | 71.9 | -162.4 | -6.4 | 112 | I871 E872 N873 F877 I878 K879 E921 L922 | I871-R875 PolarHBondContact O-N 3.47Å; E872-R875 WeakPolarHBondContact O-CB 3.45Å; E872-R875 PolarHBondContact O-N 3.05Å; N873-R875 VanDerWaalsContact C-N 3.28Å; N873-R875 PolarHBondContact O-N 3.3Å; R875-F877 VanDerWaalsContact C-N 3.29Å; R875-F877 PolarHBondContact O-N 3.2Å; R875-I878 PolarHBondContact O-N 3.48Å; R875-K879 HydrophobicContact CG-CD 4.04Å; R875-K879 WeakPolarHBondContact O-CG 3.27Å; R875-K879 PolarHBondContact O-N 2.97Å; R875-E921 VanDerWaalsContact CD-OE2 3.24Å; R875-E921 WeakPolarHBondContact CD-OE2 3.28Å; R875-E921 IonicContact CZ-OE2 3.45Å; R875-E921 IonicContact NE-OE2 3.5Å; R875-E921 PolarHBondContact NE-OE2 3.15Å; R875-E921 IonicContact NH1-OE2 3.24Å; R875-L922 HydrophobicContact CG-CD1 4.41Å; R875-L922 HydrophobicContact CG-CD2 4.25Å; R875-L922 HydrophobicContact CG-CG 4.17Å |
| 876 | E | 92.1 | Very high | 88.2 | Confident | 43 Ų | 43 | 37.5 Ų | 37.5 | 20% | 0.201 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -34.9 | -178.6 | -68.4 | -49.2 | 127.1 | 0 | 0 | 112.1 | L819 E872 N873 K879 H880 | L819-E876 HydrophobicContact CD1-CB 4.36Å; E872-E876 WeakPolarHBondContact O-CG 3.37Å; E872-E876 PolarHBondContact O-N 2.91Å; N873-E876 PolarHBondContact O-N 2.87Å; E876-K879 PolarHBondContact O-N 3.26Å; E876-K879 IonicContact OE1-NZ 3.94Å; E876-K879 PolarHBondContact OE1-NZ 2.86Å; E876-K879 IonicContact OE2-NZ 3.13Å; E876-K879 PolarHBondContact OE2-NZ 3.27Å; E876-H880 WeakPolarHBondContact O-CB 3.49Å; E876-H880 PolarHBondContact O-N 3.33Å |
| 877 | F | 90.5 | Very high | 87 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 175.5 | -69.3 | -21.9 | 0 | 0 | 0 | 113 | R815 C818 L819 F840 I843 Y844 Q847 N873 I874 R875 H880 A881 | R815-F877 HydrophobicContact CB-CE1 4.21Å; R815-F877 HydrophobicContact CB-CZ 4.14Å; R815-F877 HydrophobicContact CG-CE1 4.12Å; C818-F877 HydrophobicContact CB-CD1 4.2Å; C818-F877 HydrophobicContact CB-CE1 3.41Å; C818-F877 VanDerWaalsContact CB-CE1 3.41Å; C818-F877 HydrophobicContact CB-CZ 3.92Å; L819-F877 HydrophobicContact CD2-CD1 4.36Å; F840-F877 HydrophobicContact CE1-CB 4.4Å; F840-F877 HydrophobicContact CE2-CB 4.48Å; F840-F877 HydrophobicContact CE2-CD1 4.31Å; F840-F877 HydrophobicContact CZ-CB 3.75Å; F840-F877 HydrophobicContact CZ-CD1 4.4Å; F840-F877 HydrophobicContact CZ-CG 4.17Å; I843-F877 HydrophobicContact CG2-CE2 3.61Å; I843-F877 HydrophobicContact CG2-CZ 3.68Å; Y844-F877 HydrophobicContact CD2-CB 3.83Å; Y844-F877 AromaticContact CD2-CD2 3.94Å; Y844-F877 HydrophobicContact CD2-CD2 3.94Å; Y844-F877 HydrophobicContact CD2-CG 4.36Å; Y844-F877 HydrophobicContact CE2-CB 4.17Å; Q847-F877 HydrophobicContact CG-CD2 3.95Å; Q847-F877 HydrophobicContact CG-CE2 3.47Å; Q847-F877 VanDerWaalsContact CG-CE2 3.47Å; N873-F877 HydrophobicContact CB-CE2 4.2Å; N873-F877 VanDerWaalsContact O-CB 3.29Å; N873-F877 WeakPolarHBondContact O-CB 3.38Å; N873-F877 VanDerWaalsContact O-CD2 3.23Å; N873-F877 WeakPolarHBondContact O-CD2 3.35Å; N873-F877 WeakPolarHBondContact O-CG 3.41Å; N873-F877 PolarHBondContact O-N 3.23Å; I874-F877 PolarHBondContact O-N 3.4Å; R875-F877 VanDerWaalsContact C-N 3.29Å; R875-F877 PolarHBondContact O-N 3.2Å; F877-H880 PolarHBondContact O-N 3.33Å; F877-A881 WeakPolarHBondContact O-CB 3.39Å; F877-A881 PolarHBondContact O-N 2.78Å |
| 878 | I | 90.7 | Very high | 86 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 174.9 | -66.1 | 167.4 | 0 | 0 | 0 | 110.1 | Y844 I874 R875 H880 A881 I882 I893 L922 L928 | Y844-I878 HydrophobicContact CE2-CG1 4.13Å; I874-I878 HydrophobicContact CG2-CD1 3.94Å; I874-I878 VanDerWaalsContact O-CG1 3.32Å; I874-I878 WeakPolarHBondContact O-CG1 2.99Å; I874-I878 PolarHBondContact O-N 3.29Å; R875-I878 PolarHBondContact O-N 3.48Å; I878-H880 VanDerWaalsContact C-N 3.31Å; I878-H880 PolarHBondContact O-N 3.06Å; I878-A881 PolarHBondContact O-N 3.12Å; I878-I882 HydrophobicContact CG2-CD1 3.84Å; I878-I882 WeakPolarHBondContact O-CD1 3.44Å; I878-I882 VanDerWaalsContact O-CG1 3.31Å; I878-I882 WeakPolarHBondContact O-CG1 3.33Å; I878-I882 PolarHBondContact O-N 3.05Å; I878-I882 VanDerWaalsContact O-N 3.08Å; I878-I893 HydrophobicContact CD1-CG2 4.45Å; I878-I893 HydrophobicContact CG1-CG2 4.43Å; I878-I893 HydrophobicContact CG2-CG2 4.37Å; I878-L922 HydrophobicContact CB-CD1 4.41Å; I878-L922 HydrophobicContact CB-CD2 3.9Å; I878-L922 HydrophobicContact CD1-CD1 3.75Å; I878-L922 HydrophobicContact CG2-CD1 4.43Å; I878-L922 HydrophobicContact CG2-CD2 3.67Å; I878-L928 HydrophobicContact CG2-CD1 3.78Å; I878-L928 HydrophobicContact CG2-CD2 4Å; I878-L928 HydrophobicContact CG2-CG 4.47Å |
| 879 | K | 89.5 | Confident | 85.2 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 24% | 0.239 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 176.1 | -74.4 | 167.9 | 60.7 | -175.4 | 0 | 112.1 | R875 E876 R883 E921 L922 L925 | R875-K879 HydrophobicContact CG-CD 4.04Å; R875-K879 WeakPolarHBondContact O-CG 3.27Å; R875-K879 PolarHBondContact O-N 2.97Å; E876-K879 PolarHBondContact O-N 3.26Å; E876-K879 IonicContact OE1-NZ 3.94Å; E876-K879 PolarHBondContact OE1-NZ 2.86Å; E876-K879 IonicContact OE2-NZ 3.13Å; E876-K879 PolarHBondContact OE2-NZ 3.27Å; K879-R883 VanDerWaalsContact O-CB 3.28Å; K879-R883 WeakPolarHBondContact O-CB 3.46Å; K879-R883 PolarHBondContact O-N 3.18Å; K879-E921 WeakPolarHBondContact CD-OE1 3.43Å; K879-E921 WeakPolarHBondContact CE-OE1 3.38Å; K879-E921 IonicContact NZ-OE1 2.58Å; K879-E921 PolarHBondContact NZ-OE1 3.07Å; K879-L922 HydrophobicContact CG-CD2 3.84Å; K879-L925 HydrophobicContact CG-CD1 4.14Å |
| 880 | H | 85.1 | Confident | 84.6 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -42.4 | -179 | -167 | 80.3 | 0 | 0 | 0 | 112 | L819 E876 F877 I878 I882 R883 H884 | L819-H880 HydrophobicContact CD2-CB 3.51Å; L819-H880 WeakPolarHBondContact CD2-ND1 3.39Å; E876-H880 WeakPolarHBondContact O-CB 3.49Å; E876-H880 PolarHBondContact O-N 3.33Å; F877-H880 PolarHBondContact O-N 3.33Å; I878-H880 VanDerWaalsContact C-N 3.31Å; I878-H880 PolarHBondContact O-N 3.06Å; H880-I882 VanDerWaalsContact C-N 3.33Å; H880-I882 PolarHBondContact O-N 3.12Å; H880-R883 PolarHBondContact O-N 3.46Å; H880-H884 AromaticContact CD2-CD2 3.97Å; H880-H884 AromaticContact CE1-CD2 3.27Å; H880-H884 PolarHBondContact CE1-CD2 3.05Å; H880-H884 AromaticContact CE1-NE2 3.46Å; H880-H884 PolarHBondContact CE1-NE2 3.34Å; H880-H884 AromaticContact CG-CD2 3.92Å; H880-H884 AromaticContact ND1-CD2 3.49Å; H880-H884 PolarHBondContact ND1-CD2 3.41Å; H880-H884 AromaticContact ND1-NE2 3.76Å; H880-H884 AromaticContact NE2-CD2 3.58Å; H880-H884 PolarHBondContact O-CD2 3.3Å; H880-H884 PolarHBondContact O-N 3.05Å; H880-H884 VanDerWaalsContact O-N 3.08Å |
| 881 | A | 82.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F840 F877 I878 N885 L886 M888 | F840-A881 HydrophobicContact CZ-CB 4.28Å; F877-A881 WeakPolarHBondContact O-CB 3.39Å; F877-A881 PolarHBondContact O-N 2.78Å; I878-A881 PolarHBondContact O-N 3.12Å; A881-N885 WeakPolarHBondContact O-CA 3.19Å; A881-N885 PolarHBondContact O-N 2.85Å; A881-L886 HydrophobicContact CB-CB 4.25Å; A881-L886 PolarHBondContact O-N 2.67Å; A881-M888 HydrophobicContact CB-CG 3.87Å; A881-M888 HydrophobicContact CB-SD 3.38Å; A881-M888 WeakPolarHBondContact CB-SD 3.49Å |
| 882 | I | 83.3 | Confident | 83.8 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 20% | 0.195 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -51.2 | 175.2 | -64.9 | 161.3 | 0 | 0 | 0 | 110.8 | I878 H880 H884 N885 L925 S927 L928 | I878-I882 HydrophobicContact CG2-CD1 3.84Å; I878-I882 WeakPolarHBondContact O-CD1 3.44Å; I878-I882 VanDerWaalsContact O-CG1 3.31Å; I878-I882 WeakPolarHBondContact O-CG1 3.33Å; I878-I882 PolarHBondContact O-N 3.05Å; I878-I882 VanDerWaalsContact O-N 3.08Å; H880-I882 VanDerWaalsContact C-N 3.33Å; H880-I882 PolarHBondContact O-N 3.12Å; I882-H884 PolarHBondContact O-N 3.17Å; I882-H884 VanDerWaalsContact O-N 3.13Å; I882-N885 PolarHBondContact O-N 3.33Å; I882-N885 PolarHBondContact O-OD1 2.9Å; I882-L925 HydrophobicContact CD1-CB 4.25Å; I882-L925 HydrophobicContact CD1-CD1 3.55Å; I882-S927 VanDerWaalsContact CG2-OG 3.29Å; I882-S927 WeakPolarHBondContact CG2-OG 3.16Å; I882-L928 HydrophobicContact CD1-CD1 3.77Å; I882-L928 HydrophobicContact CD1-CD2 3.67Å; I882-L928 HydrophobicContact CD1-CG 3.53Å; I882-L928 HydrophobicContact CG1-CD2 4.28Å |
| 883 | R | 81.6 | Confident | 83.5 | Confident | 205 Ų | 205 | 59.3 Ų | 59.3 | 77% | 0.774 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.8 | -33.3 | -176.5 | -178 | 176.2 | -179.5 | 160.5 | 0.6 | 112.8 | K879 H880 | K879-R883 VanDerWaalsContact O-CB 3.28Å; K879-R883 WeakPolarHBondContact O-CB 3.46Å; K879-R883 PolarHBondContact O-N 3.18Å; H880-R883 PolarHBondContact O-N 3.46Å |
| 884 | H | 75.4 | Confident | 83.4 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 27% | 0.269 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 10.8 | -176.5 | -65.7 | -71.3 | 0 | 0 | 0 | 114 | H880 I882 L886 | H880-H884 AromaticContact CD2-CD2 3.97Å; H880-H884 AromaticContact CE1-CD2 3.27Å; H880-H884 PolarHBondContact CE1-CD2 3.05Å; H880-H884 AromaticContact CE1-NE2 3.46Å; H880-H884 PolarHBondContact CE1-NE2 3.34Å; H880-H884 AromaticContact CG-CD2 3.92Å; H880-H884 AromaticContact ND1-CD2 3.49Å; H880-H884 PolarHBondContact ND1-CD2 3.41Å; H880-H884 AromaticContact ND1-NE2 3.76Å; H880-H884 AromaticContact NE2-CD2 3.58Å; H880-H884 PolarHBondContact O-CD2 3.3Å; H880-H884 PolarHBondContact O-N 3.05Å; H880-H884 VanDerWaalsContact O-N 3.08Å; I882-H884 PolarHBondContact O-N 3.17Å; I882-H884 VanDerWaalsContact O-N 3.13Å; H884-L886 HydrophobicContact CB-CD2 4.44Å; H884-L886 HydrophobicContact CB-CG 4.21Å; H884-L886 PolarHBondContact O-N 2.83Å |
| 885 | N | 71.8 | Confident | 83.3 | Confident | 148 Ų | 148 | 62.2 Ų | 62.2 | 79% | 0.791 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 40.7 | -177.6 | -68.8 | -29.7 | 0 | 0 | 0 | 113.3 | A881 I882 F887 | A881-N885 WeakPolarHBondContact O-CA 3.19Å; A881-N885 PolarHBondContact O-N 2.85Å; I882-N885 PolarHBondContact O-N 3.33Å; I882-N885 PolarHBondContact O-OD1 2.9Å; N885-F887 PolarHBondContact O-N 3.33Å |
| 886 | L | 71.6 | Confident | 83.3 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | trans | -66.4 | 133.9 | 175.8 | -61.5 | 179.3 | 0 | 0 | 0 | 108.6 | M833 F840 A881 H884 M888 | M833-L886 HydrophobicContact CE-CD2 4.05Å; M833-L886 HydrophobicContact SD-CD2 3.77Å; F840-L886 HydrophobicContact CD2-CD1 4.13Å; F840-L886 HydrophobicContact CE2-CD1 4.01Å; A881-L886 HydrophobicContact CB-CB 4.25Å; A881-L886 PolarHBondContact O-N 2.67Å; H884-L886 HydrophobicContact CB-CD2 4.44Å; H884-L886 HydrophobicContact CB-CG 4.21Å; H884-L886 PolarHBondContact O-N 2.83Å; L886-M888 PolarHBondContact O-N 3.47Å | ||
| 887 | F | 66.4 | Low | 83.4 | Confident | 160 Ų | 160 | 57.9 Ų | 57.9 | 70% | 0.702 | 28% | 0.277 | S | S | * | . | trans | -68.2 | 83.2 | 175.2 | -170.8 | -97.4 | 0 | 0 | 0 | 109 | Y841 N885 M889 | Y841-F887 PolarHBondContact OH-O 3.23Å; N885-F887 PolarHBondContact O-N 3.33Å; F887-M889 HydrophobicContact CE1-CE 4.03Å | ||
| 888 | M | 69.9 | Low | 83.6 | Confident | 15 Ų | 15 | 61 Ų | 61 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | trans | -94.7 | 128.2 | 165.8 | -80.2 | -163.9 | 80.1 | 0 | 0 | 109 | F840 Y841 Y844 A881 L886 P890 I893 | F840-M888 HydrophobicContact CD1-CE 4.45Å; F840-M888 HydrophobicContact CD1-CG 4.31Å; F840-M888 HydrophobicContact CD1-SD 4.19Å; F840-M888 HydrophobicContact CE1-CE 3.82Å; F840-M888 HydrophobicContact CE1-CG 3.99Å; F840-M888 HydrophobicContact CE1-SD 3.35Å; F840-M888 WeakPolarHBondContact CE1-SD 3.29Å; F840-M888 HydrophobicContact CZ-SD 4.03Å; Y841-M888 HydrophobicContact CE1-CB 4.4Å; Y841-M888 HydrophobicContact CE1-CE 4.5Å; Y841-M888 HydrophobicContact CE1-CG 4.21Å; Y841-M888 WeakPolarHBondContact OH-CA 3.44Å; Y844-M888 HydrophobicContact CD1-CE 3.84Å; Y844-M888 HydrophobicContact CD2-CE 4.17Å; Y844-M888 HydrophobicContact CE1-CE 3.82Å; Y844-M888 HydrophobicContact CE2-CE 4.19Å; Y844-M888 HydrophobicContact CG-CE 4Å; A881-M888 HydrophobicContact CB-CG 3.87Å; A881-M888 HydrophobicContact CB-SD 3.38Å; A881-M888 WeakPolarHBondContact CB-SD 3.49Å; L886-M888 PolarHBondContact O-N 3.47Å; M888-P890 WeakPolarHBondContact O-CD 3.28Å; M888-I893 HydrophobicContact CB-CD1 3.99Å; M888-I893 HydrophobicContact CB-CG1 4.07Å; M888-I893 HydrophobicContact CE-CG1 4.07Å; M888-I893 HydrophobicContact SD-CG1 4.19Å | ||
| 889 | M | 75.2 | Confident | 83.8 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | trans | -58.1 | 127.6 | 172.6 | -69.4 | -111.6 | 169.1 | 0 | 0 | 110.2 | Y841 F887 D891 R892 I893 | Y841-M889 PolarHBondContact OH-N 3.15Å; F887-M889 HydrophobicContact CE1-CE 4.03Å; M889-D891 PolarHBondContact O-N 3.15Å; M889-D891 VanDerWaalsContact O-N 3.13Å; M889-R892 HydrophobicContact CB-CB 4.48Å; M889-R892 HydrophobicContact CB-CG 4.33Å; M889-R892 WeakPolarHBondContact O-CB 3.33Å; M889-R892 PolarHBondContact O-N 2.72Å; M889-I893 PolarHBondContact O-N 3Å | ||
| 890 | P | 81.7 | Confident | 84.2 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -49.8 | -39.6 | 177.4 | -30.9 | 36.5 | 0 | 0 | 0 | 113.1 | M888 R892 I893 A894 | M888-P890 WeakPolarHBondContact O-CD 3.28Å; P890-R892 VanDerWaalsContact C-N 3.3Å; P890-R892 PolarHBondContact O-N 3.44Å; P890-I893 PolarHBondContact O-N 3Å; P890-A894 PolarHBondContact O-N 3.21Å |
| 891 | D | 85.9 | Confident | 84.7 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 65% | 0.652 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.7 | -34.5 | 177.8 | -67.4 | -23.8 | 0 | 0 | 0 | 113.4 | M889 A894 V895 | M889-D891 PolarHBondContact O-N 3.15Å; M889-D891 VanDerWaalsContact O-N 3.13Å; D891-A894 PolarHBondContact O-N 3.1Å; D891-V895 VanDerWaalsContact O-CG2 3.3Å; D891-V895 WeakPolarHBondContact O-CG2 3.28Å; D891-V895 PolarHBondContact O-N 3.31Å; D891-V895 VanDerWaalsContact O-N 3.11Å |
| 892 | R | 87.3 | Confident | 85.4 | Confident | 109 Ų | 109 | 59.1 Ų | 59.1 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72.6 | -41.6 | 177.6 | -76.3 | -68.5 | -166.6 | -89.7 | -1.2 | 111.2 | Y844 D845 M889 P890 A894 V895 G896 | Y844-R892 WeakPolarHBondContact CE1-O 3.41Å; D845-R892 WeakPolarHBondContact OD1-CD 3.12Å; D845-R892 IonicContact OD1-NE 2.66Å; D845-R892 PolarHBondContact OD1-NE 3.34Å; D845-R892 IonicContact OD2-CZ 3.63Å; D845-R892 IonicContact OD2-NE 2.73Å; D845-R892 PolarHBondContact OD2-NE 2.64Å; D845-R892 IonicContact OD2-NH2 3.87Å; M889-R892 HydrophobicContact CB-CB 4.48Å; M889-R892 HydrophobicContact CB-CG 4.33Å; M889-R892 WeakPolarHBondContact O-CB 3.33Å; M889-R892 PolarHBondContact O-N 2.72Å; P890-R892 VanDerWaalsContact C-N 3.3Å; P890-R892 PolarHBondContact O-N 3.44Å; R892-A894 VanDerWaalsContact C-N 3.27Å; R892-A894 PolarHBondContact O-N 2.8Å; R892-V895 PolarHBondContact O-N 3.26Å; R892-G896 PolarHBondContact O-N 3.24Å; R892-G896 VanDerWaalsContact O-N 3.14Å |
| 893 | I | 89.1 | Confident | 85.9 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 173.1 | -60.7 | 177.2 | 0 | 0 | 0 | 109.5 | I878 M888 M889 P890 V895 G896 F897 L928 I932 | I878-I893 HydrophobicContact CD1-CG2 4.45Å; I878-I893 HydrophobicContact CG1-CG2 4.43Å; I878-I893 HydrophobicContact CG2-CG2 4.37Å; M888-I893 HydrophobicContact CB-CD1 3.99Å; M888-I893 HydrophobicContact CB-CG1 4.07Å; M888-I893 HydrophobicContact CE-CG1 4.07Å; M888-I893 HydrophobicContact SD-CG1 4.19Å; M889-I893 PolarHBondContact O-N 3Å; P890-I893 PolarHBondContact O-N 3Å; I893-V895 VanDerWaalsContact C-N 3.32Å; I893-V895 PolarHBondContact O-N 3.26Å; I893-G896 PolarHBondContact O-N 2.96Å; I893-F897 VanDerWaalsContact O-CB 3.3Å; I893-F897 WeakPolarHBondContact O-CB 3.43Å; I893-F897 PolarHBondContact O-N 2.68Å; I893-L928 HydrophobicContact CD1-CD2 4.47Å; I893-L928 HydrophobicContact CG2-CD2 3.78Å; I893-I932 HydrophobicContact CG2-CD1 3.91Å |
| 894 | A | 92.5 | Very high | 86.6 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P890 D891 R892 F897 K898 S931 | P890-A894 PolarHBondContact O-N 3.21Å; D891-A894 PolarHBondContact O-N 3.1Å; R892-A894 VanDerWaalsContact C-N 3.27Å; R892-A894 PolarHBondContact O-N 2.8Å; A894-F897 PolarHBondContact O-N 3.26Å; A894-K898 VanDerWaalsContact O-CB 3.24Å; A894-K898 WeakPolarHBondContact O-CB 3.17Å; A894-K898 PolarHBondContact O-N 3.09Å; A894-S931 WeakPolarHBondContact CB-O 3.21Å |
| 895 | V | 93.3 | Very high | 87.6 | Confident | 57 Ų | 57 | 45 Ų | 45 | 35% | 0.345 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | I848 D891 R892 I893 K898 Q899 | I848-V895 HydrophobicContact CD1-CG1 4.17Å; I848-V895 HydrophobicContact CG2-CG1 4.27Å; D891-V895 VanDerWaalsContact O-CG2 3.3Å; D891-V895 WeakPolarHBondContact O-CG2 3.28Å; D891-V895 PolarHBondContact O-N 3.31Å; D891-V895 VanDerWaalsContact O-N 3.11Å; R892-V895 PolarHBondContact O-N 3.26Å; I893-V895 VanDerWaalsContact C-N 3.32Å; I893-V895 PolarHBondContact O-N 3.26Å; V895-K898 PolarHBondContact O-N 3.49Å; V895-Q899 PolarHBondContact O-N 3.44Å; V895-Q899 VanDerWaalsContact O-N 3.12Å |
| 896 | G | 93.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y844 R892 I893 Q899 L900 | Y844-G896 WeakPolarHBondContact OH-CA 3.35Å; R892-G896 PolarHBondContact O-N 3.24Å; R892-G896 VanDerWaalsContact O-N 3.14Å; I893-G896 PolarHBondContact O-N 2.96Å; G896-Q899 WeakPolarHBondContact O-CB 3.29Å; G896-Q899 PolarHBondContact O-N 3.32Å; G896-Q899 VanDerWaalsContact O-N 3.17Å; G896-L900 PolarHBondContact O-N 3.4Å |
| 897 | F | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 174.3 | -162.4 | -78.6 | 0 | 0 | 0 | 112.1 | I893 A894 Q899 L900 I901 V919 L922 L923 I932 L938 | I893-F897 VanDerWaalsContact O-CB 3.3Å; I893-F897 WeakPolarHBondContact O-CB 3.43Å; I893-F897 PolarHBondContact O-N 2.68Å; A894-F897 PolarHBondContact O-N 3.26Å; F897-Q899 PolarHBondContact O-N 2.95Å; F897-L900 WeakPolarHBondContact O-CB 3.27Å; F897-L900 PolarHBondContact O-N 3.2Å; F897-L900 VanDerWaalsContact O-N 3.09Å; F897-I901 HydrophobicContact CD1-CG1 3.93Å; F897-I901 HydrophobicContact CE1-CD1 3.9Å; F897-I901 HydrophobicContact CE1-CG1 3.81Å; F897-I901 WeakPolarHBondContact O-CG1 3.31Å; F897-I901 PolarHBondContact O-N 3.36Å; F897-V919 HydrophobicContact CE1-CG1 4.32Å; F897-V919 HydrophobicContact CZ-CG1 3.91Å; F897-L922 HydrophobicContact CD2-CD1 4.14Å; F897-L922 HydrophobicContact CE2-CB 3.91Å; F897-L922 HydrophobicContact CE2-CD1 4.21Å; F897-L923 HydrophobicContact CE2-CD2 4.38Å; F897-L923 HydrophobicContact CZ-CD2 3.71Å; F897-L923 HydrophobicContact CZ-CG 3.93Å; F897-I932 HydrophobicContact CB-CD1 3.48Å; F897-I932 VanDerWaalsContact CB-CD1 3.48Å; F897-I932 HydrophobicContact CD1-CD1 4.12Å; F897-I932 HydrophobicContact CD1-CG2 3.86Å; F897-I932 HydrophobicContact CD2-CD1 3.6Å; F897-I932 HydrophobicContact CD2-CG1 4.06Å; F897-I932 HydrophobicContact CE1-CG2 3.84Å; F897-I932 HydrophobicContact CE2-CD1 4.35Å; F897-I932 HydrophobicContact CE2-CG1 4.33Å; F897-I932 HydrophobicContact CG-CD1 3.45Å; F897-I932 VanDerWaalsContact CG-CD1 3.45Å; F897-I932 HydrophobicContact CG-CG1 4.2Å; F897-I932 HydrophobicContact CG-CG2 4.28Å; F897-I932 HydrophobicContact CZ-CG2 4.2Å; F897-L938 HydrophobicContact CD1-CD1 4.44Å; F897-L938 HydrophobicContact CE1-CD1 3.65Å; F897-L938 HydrophobicContact CZ-CD1 4.37Å |
| 898 | K | 95.7 | Very high | 90.4 | Very high | 68 Ų | 68 | 33.2 Ų | 33.2 | 30% | 0.296 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.6 | -36 | 173.4 | -179.8 | 172.7 | 177.7 | 158.9 | 0 | 112.4 | A894 V895 T902 Y972 Y973 | A894-K898 VanDerWaalsContact O-CB 3.24Å; A894-K898 WeakPolarHBondContact O-CB 3.17Å; A894-K898 PolarHBondContact O-N 3.09Å; V895-K898 PolarHBondContact O-N 3.49Å; K898-T902 PolarHBondContact O-N 3.27Å; K898-T902 VanDerWaalsContact O-N 3.12Å; K898-T902 PolarHBondContact O-OG1 3.2Å; K898-Y972 HydrophobicContact CB-CE1 4.09Å; K898-Y972 HydrophobicContact CD-CD1 4.26Å; K898-Y972 HydrophobicContact CD-CE1 3.74Å; K898-Y972 WeakPolarHBondContact CE-O 3.42Å; K898-Y972 HydrophobicContact CG-CE1 4.24Å; K898-Y972 PolarHBondContact NZ-O 2.89Å; K898-Y973 HydrophobicContact CB-CD1 4.44Å; K898-Y973 HydrophobicContact CB-CE1 4.17Å; K898-Y973 HydrophobicContact CG-CD1 4.15Å; K898-Y973 HydrophobicContact CG-CE1 4.36Å |
| 899 | Q | 95 | Very high | 91.4 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70 | -40.8 | 175.3 | -174.7 | 55.2 | 33.2 | 0 | 0 | 112.1 | I848 S851 K852 V895 G896 F897 I901 T902 E903 | I848-Q899 HydrophobicContact CG2-CB 4.49Å; S851-Q899 WeakPolarHBondContact OG-CG 3.19Å; K852-Q899 HydrophobicContact CG-CG 4.39Å; V895-Q899 PolarHBondContact O-N 3.44Å; V895-Q899 VanDerWaalsContact O-N 3.12Å; G896-Q899 WeakPolarHBondContact O-CB 3.29Å; G896-Q899 PolarHBondContact O-N 3.32Å; G896-Q899 VanDerWaalsContact O-N 3.17Å; F897-Q899 PolarHBondContact O-N 2.95Å; Q899-I901 VanDerWaalsContact C-N 3.32Å; Q899-I901 PolarHBondContact O-N 3.42Å; Q899-T902 WeakPolarHBondContact O-CB 3.49Å; Q899-T902 PolarHBondContact O-N 3.06Å; Q899-T902 VanDerWaalsContact O-N 3.11Å; Q899-E903 PolarHBondContact NE2-OE1 3.48Å; Q899-E903 WeakPolarHBondContact O-CG 3.39Å; Q899-E903 PolarHBondContact O-N 3.46Å |
| 900 | L | 96.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 172.6 | -64.2 | 177.7 | 0 | 0 | 0 | 111.5 | I871 I874 G896 F897 T902 E903 S904 V919 L922 | I871-L900 HydrophobicContact CB-CD2 4.24Å; I871-L900 HydrophobicContact CG1-CD2 4.3Å; I871-L900 HydrophobicContact CG2-CD2 3.73Å; I874-L900 HydrophobicContact CB-CD2 4.23Å; I874-L900 HydrophobicContact CG2-CD1 3.98Å; I874-L900 HydrophobicContact CG2-CD2 4.1Å; I874-L900 HydrophobicContact CG2-CG 3.97Å; G896-L900 PolarHBondContact O-N 3.4Å; F897-L900 WeakPolarHBondContact O-CB 3.27Å; F897-L900 PolarHBondContact O-N 3.2Å; F897-L900 VanDerWaalsContact O-N 3.09Å; L900-T902 VanDerWaalsContact C-N 3.28Å; L900-T902 PolarHBondContact O-N 3.11Å; L900-E903 PolarHBondContact O-N 3.39Å; L900-E903 VanDerWaalsContact O-N 3.13Å; L900-S904 PolarHBondContact O-N 2.66Å; L900-S904 PolarHBondContact O-OG 3.37Å; L900-S904 VanDerWaalsContact O-OG 3.12Å; L900-V919 HydrophobicContact CB-CG2 3.74Å; L900-L922 HydrophobicContact CD1-CD1 3.56Å |
| 901 | I | 96.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -38.9 | 175.5 | -65.8 | -67.9 | 0 | 0 | 0 | 112.1 | F897 Q899 S904 V919 L938 F942 L967 Y973 | F897-I901 HydrophobicContact CD1-CG1 3.93Å; F897-I901 HydrophobicContact CE1-CD1 3.9Å; F897-I901 HydrophobicContact CE1-CG1 3.81Å; F897-I901 WeakPolarHBondContact O-CG1 3.31Å; F897-I901 PolarHBondContact O-N 3.36Å; Q899-I901 VanDerWaalsContact C-N 3.32Å; Q899-I901 PolarHBondContact O-N 3.42Å; I901-S904 WeakPolarHBondContact O-CB 3.31Å; I901-S904 PolarHBondContact O-N 2.76Å; I901-V919 HydrophobicContact CD1-CB 4.49Å; I901-V919 HydrophobicContact CD1-CG1 3.74Å; I901-V919 HydrophobicContact CD1-CG2 3.91Å; I901-V919 HydrophobicContact CG1-CG2 4.47Å; I901-L938 HydrophobicContact CD1-CD2 3.75Å; I901-L938 HydrophobicContact CG1-CD2 4.5Å; I901-F942 HydrophobicContact CD1-CD2 4.44Å; I901-F942 HydrophobicContact CD1-CE2 3.55Å; I901-F942 HydrophobicContact CD1-CZ 3.75Å; I901-L967 HydrophobicContact CG2-CD1 3.91Å; I901-L967 HydrophobicContact CG2-CD2 4.06Å; I901-Y973 HydrophobicContact CB-CD1 3.99Å; I901-Y973 HydrophobicContact CB-CE1 4.33Å; I901-Y973 HydrophobicContact CG1-CD1 4.05Å; I901-Y973 HydrophobicContact CG1-CE1 3.93Å; I901-Y973 HydrophobicContact CG2-CD1 3.76Å; I901-Y973 HydrophobicContact CG2-CE1 4.49Å; I901-Y973 HydrophobicContact CG2-CG 4.1Å |
| 902 | T | 95.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 25 Ų | 25 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | K898 Q899 L900 S904 L905 F979 | K898-T902 PolarHBondContact O-N 3.27Å; K898-T902 VanDerWaalsContact O-N 3.12Å; K898-T902 PolarHBondContact O-OG1 3.2Å; Q899-T902 WeakPolarHBondContact O-CB 3.49Å; Q899-T902 PolarHBondContact O-N 3.06Å; Q899-T902 VanDerWaalsContact O-N 3.11Å; L900-T902 VanDerWaalsContact C-N 3.28Å; L900-T902 PolarHBondContact O-N 3.11Å; T902-S904 VanDerWaalsContact C-N 3.33Å; T902-L905 PolarHBondContact O-N 2.95Å; T902-F979 HydrophobicContact CG2-CD1 3.99Å; T902-F979 HydrophobicContact CG2-CE1 4.43Å |
| 903 | E | 94.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72 | -24.3 | 177.8 | -67.5 | -69.2 | 127.4 | 0 | 0 | 113 | R867 I871 Q899 L900 L905 D906 Q911 A915 | R867-E903 IonicContact CZ-OE2 3.44Å; R867-E903 IonicContact NH1-OE1 3.24Å; R867-E903 PolarHBondContact NH1-OE1 2.72Å; R867-E903 IonicContact NH1-OE2 3.91Å; R867-E903 PolarHBondContact NH1-OE2 2.94Å; I871-E903 HydrophobicContact CD1-CB 3.55Å; I871-E903 HydrophobicContact CD1-CG 3.68Å; I871-E903 HydrophobicContact CG1-CB 4.3Å; I871-E903 HydrophobicContact CG1-CG 4.13Å; Q899-E903 PolarHBondContact NE2-OE1 3.48Å; Q899-E903 WeakPolarHBondContact O-CG 3.39Å; Q899-E903 PolarHBondContact O-N 3.46Å; L900-E903 PolarHBondContact O-N 3.39Å; L900-E903 VanDerWaalsContact O-N 3.13Å; E903-L905 PolarHBondContact O-N 2.86Å; E903-D906 WeakPolarHBondContact O-CB 3.49Å; E903-D906 PolarHBondContact O-N 2.75Å; E903-Q911 PolarHBondContact OE2-NE2 2.74Å; E903-A915 HydrophobicContact CB-CB 3.84Å |
| 904 | S | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -11.2 | 170.4 | -59.4 | 0 | 0 | 0 | 0 | 113.8 | L900 I901 T902 R912 L964 | L900-S904 PolarHBondContact O-N 2.66Å; L900-S904 PolarHBondContact O-OG 3.37Å; L900-S904 VanDerWaalsContact O-OG 3.12Å; I901-S904 WeakPolarHBondContact O-CB 3.31Å; I901-S904 PolarHBondContact O-N 2.76Å; T902-S904 VanDerWaalsContact C-N 3.33Å; S904-R912 WeakPolarHBondContact O-CG 3.27Å; S904-L964 VanDerWaalsContact O-CD1 3.28Å; S904-L964 WeakPolarHBondContact O-CD1 3.4Å |
| 905 | L | 95.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 10.4 | 176.3 | -68.7 | 155.1 | 0 | 0 | 0 | 113.2 | T902 E903 Y961 L964 L967 A977 Y981 | T902-L905 PolarHBondContact O-N 2.95Å; E903-L905 PolarHBondContact O-N 2.86Å; L905-Y961 HydrophobicContact CD2-CD1 4.09Å; L905-Y961 HydrophobicContact CD2-CE1 3.92Å; L905-Y961 PolarHBondContact O-OH 2.74Å; L905-L964 HydrophobicContact CD2-CB 3.83Å; L905-L964 HydrophobicContact CD2-CD1 4Å; L905-L964 HydrophobicContact CD2-CG 4.49Å; L905-L964 HydrophobicContact CG-CD1 4.47Å; L905-L967 HydrophobicContact CD1-CD1 4.17Å; L905-A977 VanDerWaalsContact CD1-CA 3.45Å; L905-A977 HydrophobicContact CD1-CB 4.12Å; L905-Y981 HydrophobicContact CD2-CD2 3.97Å; L905-Y981 HydrophobicContact CD2-CE2 3.64Å |
| 906 | D | 91.8 | Very high | 93.7 | Very high | 17 Ų | 17 | 20.5 Ų | 20.5 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | trans | -63.7 | 140.6 | 175.8 | -159.7 | -67.5 | 0 | 0 | 0 | 111.2 | R867 E903 N908 Q911 R912 Y961 | R867-D906 IonicContact CZ-OD2 2.88Å; R867-D906 VanDerWaalsContact CZ-OD2 3.31Å; R867-D906 IonicContact NH1-OD2 2.92Å; R867-D906 PolarHBondContact NH1-OD2 3.46Å; R867-D906 IonicContact NH2-OD2 2.98Å; R867-D906 PolarHBondContact NH2-OD2 3.28Å; E903-D906 WeakPolarHBondContact O-CB 3.49Å; E903-D906 PolarHBondContact O-N 2.75Å; D906-N908 PolarHBondContact O-N 3.4Å; D906-N908 WeakPolarHBondContact OD1-CB 3.15Å; D906-N908 PolarHBondContact OD1-N 2.83Å; D906-Q911 HydrophobicContact CB-CB 4.15Å; D906-Q911 HydrophobicContact CB-CG 3.92Å; D906-R912 PolarHBondContact O-NH1 2.96Å; D906-Y961 PolarHBondContact O-OH 3.5Å; D906-Y961 VanDerWaalsContact O-OH 3.04Å | ||
| 907 | G | 89.4 | Confident | 93.7 | Very high | 24 Ų | 24 | 23.8 Ų | 23.8 | 25% | 0.247 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -68.4 | -24.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L909 R912 | G907-L909 PolarHBondContact O-N 2.93Å; G907-R912 PolarHBondContact O-NH1 3.39Å |
| 908 | N | 89 | Confident | 93.8 | Very high | 58 Ų | 58 | 23.8 Ų | 23.8 | 31% | 0.31 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -73.2 | 123.1 | 175.4 | -177.1 | -85.8 | 0 | 0 | 0 | 111 | L864 D906 T910 Q911 R912 | L864-N908 HydrophobicContact CD1-CB 4.36Å; D906-N908 PolarHBondContact O-N 3.4Å; D906-N908 WeakPolarHBondContact OD1-CB 3.15Å; D906-N908 PolarHBondContact OD1-N 2.83Å; N908-T910 PolarHBondContact O-N 3.08Å; N908-T910 PolarHBondContact OD1-N 3.36Å; N908-T910 VanDerWaalsContact OD1-N 3.12Å; N908-Q911 HydrophobicContact CB-CB 4.03Å; N908-Q911 PolarHBondContact O-N 2.88Å; N908-Q911 PolarHBondContact OD1-N 3.38Å; N908-Q911 VanDerWaalsContact OD1-N 3.08Å; N908-R912 WeakPolarHBondContact O-CB 3.21Å; N908-R912 PolarHBondContact O-N 3.33Å |
| 909 | L | 90.8 | Very high | 93.8 | Very high | 76 Ų | 76 | 20.6 Ų | 20.6 | 40% | 0.398 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -51.5 | -53.3 | -179.4 | 170.1 | 60.3 | 0 | 0 | 0 | 112.9 | G907 Q911 R912 Q913 E955 | G907-L909 PolarHBondContact O-N 2.93Å; L909-Q911 VanDerWaalsContact C-N 3.34Å; L909-Q911 PolarHBondContact O-N 3.03Å; L909-R912 PolarHBondContact O-N 2.92Å; L909-Q913 WeakPolarHBondContact O-CB 3.49Å; L909-Q913 PolarHBondContact O-N 2.89Å; L909-E955 HydrophobicContact CD1-CB 4.22Å; L909-E955 HydrophobicContact CD1-CG 4.36Å |
| 910 | T | 89.7 | Confident | 93.8 | Very high | 56 Ų | 56 | 20.5 Ų | 20.5 | 34% | 0.344 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -65.3 | -39.3 | -175 | -46.9 | 0 | 0 | 0 | 0 | 111.9 | R868 N908 I914 | R868-T910 VanDerWaalsContact CZ-CG2 3.46Å; N908-T910 PolarHBondContact O-N 3.08Å; N908-T910 PolarHBondContact OD1-N 3.36Å; N908-T910 VanDerWaalsContact OD1-N 3.12Å; T910-I914 HydrophobicContact CG2-CD1 3.91Å; T910-I914 VanDerWaalsContact O-CG1 3.28Å; T910-I914 WeakPolarHBondContact O-CG1 3.47Å; T910-I914 PolarHBondContact O-N 3.33Å; T910-I914 VanDerWaalsContact O-N 3.09Å |
| 911 | Q | 90 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 177.9 | -168.9 | 69.6 | 1.4 | 0 | 0 | 111.5 | L864 R867 I871 E903 D906 N908 L909 I914 A915 | L864-Q911 HydrophobicContact CD1-CB 4Å; L864-Q911 HydrophobicContact CD1-CG 4.13Å; R867-Q911 VanDerWaalsContact CB-NE2 3.35Å; I871-Q911 HydrophobicContact CD1-CG 4.39Å; E903-Q911 PolarHBondContact OE2-NE2 2.74Å; D906-Q911 HydrophobicContact CB-CB 4.15Å; D906-Q911 HydrophobicContact CB-CG 3.92Å; N908-Q911 HydrophobicContact CB-CB 4.03Å; N908-Q911 PolarHBondContact O-N 2.88Å; N908-Q911 PolarHBondContact OD1-N 3.38Å; N908-Q911 VanDerWaalsContact OD1-N 3.08Å; L909-Q911 VanDerWaalsContact C-N 3.34Å; L909-Q911 PolarHBondContact O-N 3.03Å; Q911-I914 PolarHBondContact O-N 3.26Å; Q911-A915 WeakPolarHBondContact O-CB 3.01Å; Q911-A915 PolarHBondContact O-N 3.47Å |
| 912 | R | 93.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 176.3 | 172.9 | 169.7 | 68.7 | -113.7 | 3.2 | 111.7 | S904 D906 G907 N908 L909 A915 C916 W954 | S904-R912 WeakPolarHBondContact O-CG 3.27Å; D906-R912 PolarHBondContact O-NH1 2.96Å; G907-R912 PolarHBondContact O-NH1 3.39Å; N908-R912 WeakPolarHBondContact O-CB 3.21Å; N908-R912 PolarHBondContact O-N 3.33Å; L909-R912 PolarHBondContact O-N 2.92Å; R912-A915 PolarHBondContact O-N 3.1Å; R912-C916 WeakPolarHBondContact O-CB 3.42Å; R912-C916 PolarHBondContact O-N 3.47Å; R912-C916 PolarHBondContact O-SG 2.84Å; R912-W954 PolarHBondContact NE-O 3.03Å |
| 913 | Q | 93 | Very high | 93.6 | Very high | 57 Ų | 57 | 22.9 Ų | 22.9 | 27% | 0.266 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.3 | -49.9 | -179.2 | -174.6 | 167.4 | 17.8 | 0 | 0 | 111.3 | L909 A915 C916 D917 E955 | L909-Q913 WeakPolarHBondContact O-CB 3.49Å; L909-Q913 PolarHBondContact O-N 2.89Å; Q913-A915 VanDerWaalsContact C-N 3.32Å; Q913-A915 PolarHBondContact O-N 3.35Å; Q913-C916 PolarHBondContact O-N 3.46Å; Q913-D917 WeakPolarHBondContact O-CB 3.3Å; Q913-D917 PolarHBondContact O-N 3.29Å; Q913-E955 PolarHBondContact NE2-OE1 3.36Å |
| 914 | I | 93.6 | Very high | 93.5 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 15% | 0.149 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 178.9 | -66.8 | 169.5 | 0 | 0 | 0 | 111.2 | R868 I871 E872 T910 Q911 S918 | R868-I914 HydrophobicContact CG-CD1 3.6Å; I871-I914 HydrophobicContact CG2-CG2 3.87Å; E872-I914 HydrophobicContact CG-CG2 4.06Å; T910-I914 HydrophobicContact CG2-CD1 3.91Å; T910-I914 VanDerWaalsContact O-CG1 3.28Å; T910-I914 WeakPolarHBondContact O-CG1 3.47Å; T910-I914 PolarHBondContact O-N 3.33Å; T910-I914 VanDerWaalsContact O-N 3.09Å; Q911-I914 PolarHBondContact O-N 3.26Å; I914-S918 VanDerWaalsContact O-CB 3.25Å; I914-S918 WeakPolarHBondContact O-CB 3.33Å; I914-S918 PolarHBondContact O-N 3.5Å; I914-S918 PolarHBondContact O-OG 3.25Å |
| 915 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -47.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I871 E903 Q911 R912 Q913 S918 V919 | I871-A915 HydrophobicContact CD1-CB 4.25Å; I871-A915 HydrophobicContact CG2-CB 4.49Å; E903-A915 HydrophobicContact CB-CB 3.84Å; Q911-A915 WeakPolarHBondContact O-CB 3.01Å; Q911-A915 PolarHBondContact O-N 3.47Å; R912-A915 PolarHBondContact O-N 3.1Å; Q913-A915 VanDerWaalsContact C-N 3.32Å; Q913-A915 PolarHBondContact O-N 3.35Å; A915-S918 WeakPolarHBondContact O-CB 3.27Å; A915-S918 PolarHBondContact O-N 2.91Å; A915-V919 WeakPolarHBondContact O-CG2 3.37Å; A915-V919 PolarHBondContact O-N 3.33Å |
| 916 | C | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.6 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | R912 Q913 S918 V919 S920 F942 W954 | R912-C916 WeakPolarHBondContact O-CB 3.42Å; R912-C916 PolarHBondContact O-N 3.47Å; R912-C916 PolarHBondContact O-SG 2.84Å; Q913-C916 PolarHBondContact O-N 3.46Å; C916-S918 VanDerWaalsContact C-N 3.29Å; C916-S918 PolarHBondContact O-N 3.24Å; C916-V919 PolarHBondContact O-N 3.02Å; C916-S920 WeakPolarHBondContact O-CB 3.41Å; C916-S920 PolarHBondContact O-N 3.47Å; C916-S920 PolarHBondContact O-OG 3.4Å; C916-S920 VanDerWaalsContact O-OG 3.11Å; C916-F942 HydrophobicContact CB-CE1 4.21Å; C916-W954 HydrophobicContact CB-CB 4.18Å; C916-W954 VanDerWaalsContact CB-CD1 3.41Å; C916-W954 HydrophobicContact CB-CD2 3.57Å; C916-W954 HydrophobicContact CB-CE3 4.3Å; C916-W954 HydrophobicContact CB-CG 3.46Å; C916-W954 VanDerWaalsContact CB-CG 3.46Å; C916-W954 HydrophobicContact CB-CZ2 4.36Å |
| 917 | D | 94.4 | Very high | 92.4 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64 | -38.4 | 177.5 | -66.5 | -16.1 | 0 | 0 | 0 | 110.8 | Q913 S920 E921 | Q913-D917 WeakPolarHBondContact O-CB 3.3Å; Q913-D917 PolarHBondContact O-N 3.29Å; D917-S920 PolarHBondContact O-N 3.15Å; D917-E921 WeakPolarHBondContact O-CB 3.37Å; D917-E921 PolarHBondContact O-N 3.09Å |
| 918 | S | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | I914 A915 C916 L922 | I914-S918 VanDerWaalsContact O-CB 3.25Å; I914-S918 WeakPolarHBondContact O-CB 3.33Å; I914-S918 PolarHBondContact O-N 3.5Å; I914-S918 PolarHBondContact O-OG 3.25Å; A915-S918 WeakPolarHBondContact O-CB 3.27Å; A915-S918 PolarHBondContact O-N 2.91Å; C916-S918 VanDerWaalsContact C-N 3.29Å; C916-S918 PolarHBondContact O-N 3.24Å; S918-L922 VanDerWaalsContact O-CG 3.23Å; S918-L922 WeakPolarHBondContact O-CG 3.34Å; S918-L922 PolarHBondContact O-N 3.33Å; S918-L922 VanDerWaalsContact O-N 3.12Å |
| 919 | V | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 176.1 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | F897 L900 I901 A915 C916 E921 L922 L923 F942 | F897-V919 HydrophobicContact CE1-CG1 4.32Å; F897-V919 HydrophobicContact CZ-CG1 3.91Å; L900-V919 HydrophobicContact CB-CG2 3.74Å; I901-V919 HydrophobicContact CD1-CB 4.49Å; I901-V919 HydrophobicContact CD1-CG1 3.74Å; I901-V919 HydrophobicContact CD1-CG2 3.91Å; I901-V919 HydrophobicContact CG1-CG2 4.47Å; A915-V919 WeakPolarHBondContact O-CG2 3.37Å; A915-V919 PolarHBondContact O-N 3.33Å; C916-V919 PolarHBondContact O-N 3.02Å; V919-E921 PolarHBondContact O-N 2.95Å; V919-L922 PolarHBondContact O-N 3.36Å; V919-L923 HydrophobicContact CG1-CD1 3.71Å; V919-L923 HydrophobicContact CG1-CG 4.22Å; V919-L923 VanDerWaalsContact O-CG 3.29Å; V919-L923 WeakPolarHBondContact O-CG 3.19Å; V919-L923 PolarHBondContact O-N 3.03Å; V919-F942 HydrophobicContact CB-CD1 4.08Å; V919-F942 HydrophobicContact CB-CE1 4.06Å; V919-F942 HydrophobicContact CB-CZ 4.48Å; V919-F942 HydrophobicContact CG1-CB 4.36Å; V919-F942 HydrophobicContact CG1-CD1 3.69Å; V919-F942 HydrophobicContact CG1-CD2 3.77Å; V919-F942 HydrophobicContact CG1-CE1 3.85Å; V919-F942 HydrophobicContact CG1-CE2 3.93Å; V919-F942 HydrophobicContact CG1-CG 3.67Å; V919-F942 HydrophobicContact CG1-CZ 3.96Å |
| 920 | S | 95.2 | Very high | 92.1 | Very high | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.119 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 178.9 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | C916 D917 L922 L923 L924 F942 | C916-S920 WeakPolarHBondContact O-CB 3.41Å; C916-S920 PolarHBondContact O-N 3.47Å; C916-S920 PolarHBondContact O-OG 3.4Å; C916-S920 VanDerWaalsContact O-OG 3.11Å; D917-S920 PolarHBondContact O-N 3.15Å; S920-L922 PolarHBondContact O-N 2.97Å; S920-L923 PolarHBondContact O-N 3.38Å; S920-L924 WeakPolarHBondContact O-CG 3.26Å; S920-L924 PolarHBondContact O-N 3.36Å; S920-F942 PolarHBondContact OG-O 3.02Å |
| 921 | E | 94.1 | Very high | 92.1 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62 | -42 | 177.5 | -172.3 | -179.3 | 172.7 | 0 | 0 | 112 | R875 K879 D917 V919 L924 | R875-E921 VanDerWaalsContact CD-OE2 3.24Å; R875-E921 WeakPolarHBondContact CD-OE2 3.28Å; R875-E921 IonicContact CZ-OE2 3.45Å; R875-E921 IonicContact NE-OE2 3.5Å; R875-E921 PolarHBondContact NE-OE2 3.15Å; R875-E921 IonicContact NH1-OE2 3.24Å; K879-E921 WeakPolarHBondContact CD-OE1 3.43Å; K879-E921 WeakPolarHBondContact CE-OE1 3.38Å; K879-E921 IonicContact NZ-OE1 2.58Å; K879-E921 PolarHBondContact NZ-OE1 3.07Å; D917-E921 WeakPolarHBondContact O-CB 3.37Å; D917-E921 PolarHBondContact O-N 3.09Å; V919-E921 PolarHBondContact O-N 2.95Å; E921-L924 WeakPolarHBondContact O-CB 3.46Å; E921-L924 PolarHBondContact O-N 3.37Å |
| 922 | L | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70 | -36.3 | 178.8 | -69.1 | 175.8 | 0 | 0 | 0 | 112.7 | R875 I878 K879 F897 L900 S918 V919 S920 L924 L925 L928 | R875-L922 HydrophobicContact CG-CD1 4.41Å; R875-L922 HydrophobicContact CG-CD2 4.25Å; R875-L922 HydrophobicContact CG-CG 4.17Å; I878-L922 HydrophobicContact CB-CD1 4.41Å; I878-L922 HydrophobicContact CB-CD2 3.9Å; I878-L922 HydrophobicContact CD1-CD1 3.75Å; I878-L922 HydrophobicContact CG2-CD1 4.43Å; I878-L922 HydrophobicContact CG2-CD2 3.67Å; K879-L922 HydrophobicContact CG-CD2 3.84Å; F897-L922 HydrophobicContact CD2-CD1 4.14Å; F897-L922 HydrophobicContact CE2-CB 3.91Å; F897-L922 HydrophobicContact CE2-CD1 4.21Å; L900-L922 HydrophobicContact CD1-CD1 3.56Å; S918-L922 VanDerWaalsContact O-CG 3.23Å; S918-L922 WeakPolarHBondContact O-CG 3.34Å; S918-L922 PolarHBondContact O-N 3.33Å; S918-L922 VanDerWaalsContact O-N 3.12Å; V919-L922 PolarHBondContact O-N 3.36Å; S920-L922 PolarHBondContact O-N 2.97Å; L922-L924 PolarHBondContact O-N 3.01Å; L922-L925 HydrophobicContact CD2-CD1 4.13Å; L922-L925 WeakPolarHBondContact O-CB 3.12Å; L922-L925 PolarHBondContact O-N 2.85Å; L922-L928 HydrophobicContact CB-CD1 4.1Å; L922-L928 HydrophobicContact CD2-CD1 4.39Å; L922-L928 WeakPolarHBondContact O-CD1 2.95Å |
| 923 | L | 94.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -16.6 | 177.4 | -72.5 | 172.1 | 0 | 0 | 0 | 113.3 | F897 V919 S920 L925 F935 L938 V939 F942 L943 | F897-L923 HydrophobicContact CE2-CD2 4.38Å; F897-L923 HydrophobicContact CZ-CD2 3.71Å; F897-L923 HydrophobicContact CZ-CG 3.93Å; V919-L923 HydrophobicContact CG1-CD1 3.71Å; V919-L923 HydrophobicContact CG1-CG 4.22Å; V919-L923 VanDerWaalsContact O-CG 3.29Å; V919-L923 WeakPolarHBondContact O-CG 3.19Å; V919-L923 PolarHBondContact O-N 3.03Å; S920-L923 PolarHBondContact O-N 3.38Å; L923-L925 PolarHBondContact O-N 2.79Å; L923-F935 HydrophobicContact CD2-CD2 3.76Å; L923-F935 HydrophobicContact CD2-CE2 3.61Å; L923-F935 HydrophobicContact CD2-CZ 4.34Å; L923-F935 WeakPolarHBondContact O-CZ 3.39Å; L923-L938 HydrophobicContact CD1-CB 4.06Å; L923-L938 HydrophobicContact CD2-CB 4.04Å; L923-V939 HydrophobicContact CB-CG2 4.36Å; L923-V939 HydrophobicContact CD2-CG2 4.25Å; L923-F942 HydrophobicContact CD1-CB 3.76Å; L923-F942 HydrophobicContact CD1-CD2 4.31Å; L923-F942 HydrophobicContact CD1-CG 4.25Å; L923-L943 HydrophobicContact CB-CD1 3.79Å; L923-L943 HydrophobicContact CB-CG 4.4Å |
| 924 | L | 93.1 | Very high | 92.3 | Very high | 118 Ų | 118 | 39.8 Ų | 39.8 | 62% | 0.618 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7.1 | 171.8 | -63.9 | 171.2 | 0 | 0 | 0 | 113.2 | S920 E921 L922 L943 | S920-L924 WeakPolarHBondContact O-CG 3.26Å; S920-L924 PolarHBondContact O-N 3.36Å; E921-L924 WeakPolarHBondContact O-CB 3.46Å; E921-L924 PolarHBondContact O-N 3.37Å; L922-L924 PolarHBondContact O-N 3.01Å; L924-L943 HydrophobicContact CD2-CD1 3.82Å; L924-L943 HydrophobicContact CD2-CD2 4.47Å; L924-L943 HydrophobicContact CG-CD1 4.29Å |
| 925 | L | 90.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 39.3 Ų | 39.3 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | trans | -95 | 93.2 | 178.4 | -55.6 | 176 | 0 | 0 | 0 | 109.9 | K879 I882 L922 L923 S927 L928 | K879-L925 HydrophobicContact CG-CD1 4.14Å; I882-L925 HydrophobicContact CD1-CB 4.25Å; I882-L925 HydrophobicContact CD1-CD1 3.55Å; L922-L925 HydrophobicContact CD2-CD1 4.13Å; L922-L925 WeakPolarHBondContact O-CB 3.12Å; L922-L925 PolarHBondContact O-N 2.85Å; L923-L925 PolarHBondContact O-N 2.79Å; L925-S927 PolarHBondContact O-N 3.48Å; L925-L928 HydrophobicContact CB-CD1 4.25Å; L925-L928 HydrophobicContact CB-CG 4.41Å; L925-L928 HydrophobicContact CD1-CD1 4.44Å; L925-L928 WeakPolarHBondContact O-CB 3.45Å; L925-L928 PolarHBondContact O-N 3.07Å | ||
| 926 | D | 84.6 | Confident | 92.2 | Very high | 130 Ų | 130 | 46.5 Ų | 46.5 | 70% | 0.695 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -51.1 | -29.3 | -177.3 | -70 | -27.4 | 0 | 0 | 0 | 114.2 | L928 S929 | D926-L928 PolarHBondContact O-N 3.42Å; D926-L928 VanDerWaalsContact O-N 3.11Å; D926-S929 WeakPolarHBondContact O-CB 3.43Å; D926-S929 PolarHBondContact O-N 3.33Å; D926-S929 VanDerWaalsContact O-N 3.11Å; D926-S929 PolarHBondContact O-OG 3.42Å |
| 927 | S | 85.6 | Confident | 92.2 | Very high | 67 Ų | 67 | 50 Ų | 50 | 47% | 0.469 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -56.1 | -22.1 | 174.1 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | I882 L925 | I882-S927 VanDerWaalsContact CG2-OG 3.29Å; I882-S927 WeakPolarHBondContact CG2-OG 3.16Å; L925-S927 PolarHBondContact O-N 3.48Å |
| 928 | L | 88 | Confident | 92.3 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -84.9 | -11.6 | -179.8 | -74.3 | 178.8 | 0 | 0 | 0 | 114 | I878 I882 I893 L922 L925 D926 S930 S931 I932 F935 | I878-L928 HydrophobicContact CG2-CD1 3.78Å; I878-L928 HydrophobicContact CG2-CD2 4Å; I878-L928 HydrophobicContact CG2-CG 4.47Å; I882-L928 HydrophobicContact CD1-CD1 3.77Å; I882-L928 HydrophobicContact CD1-CD2 3.67Å; I882-L928 HydrophobicContact CD1-CG 3.53Å; I882-L928 HydrophobicContact CG1-CD2 4.28Å; I893-L928 HydrophobicContact CD1-CD2 4.47Å; I893-L928 HydrophobicContact CG2-CD2 3.78Å; L922-L928 HydrophobicContact CB-CD1 4.1Å; L922-L928 HydrophobicContact CD2-CD1 4.39Å; L922-L928 WeakPolarHBondContact O-CD1 2.95Å; L925-L928 HydrophobicContact CB-CD1 4.25Å; L925-L928 HydrophobicContact CB-CG 4.41Å; L925-L928 HydrophobicContact CD1-CD1 4.44Å; L925-L928 WeakPolarHBondContact O-CB 3.45Å; L925-L928 PolarHBondContact O-N 3.07Å; D926-L928 PolarHBondContact O-N 3.42Å; D926-L928 VanDerWaalsContact O-N 3.11Å; L928-S930 PolarHBondContact O-N 3.3Å; L928-S930 VanDerWaalsContact O-N 3.13Å; L928-S931 PolarHBondContact O-N 3.31Å; L928-I932 HydrophobicContact CB-CG1 4.09Å; L928-I932 WeakPolarHBondContact O-CG1 3.33Å; L928-I932 PolarHBondContact O-N 2.83Å; L928-I932 VanDerWaalsContact O-N 3.07Å; L928-F935 HydrophobicContact CB-CE2 4.32Å |
| 929 | S | 88.1 | Confident | 92.2 | Very high | 61 Ų | 61 | 48.8 Ų | 48.8 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.8 | -175.7 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | D926 | D926-S929 WeakPolarHBondContact O-CB 3.43Å; D926-S929 PolarHBondContact O-N 3.33Å; D926-S929 VanDerWaalsContact O-N 3.11Å; D926-S929 PolarHBondContact O-OG 3.42Å |
| 930 | S | 87.6 | Confident | 92.1 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 74% | 0.741 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -21.9 | 177.8 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | L928 | L928-S930 PolarHBondContact O-N 3.3Å; L928-S930 VanDerWaalsContact O-N 3.13Å |
| 931 | S | 89.1 | Confident | 92 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 12% | 0.119 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -18 | -175.1 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | A894 L928 | A894-S931 WeakPolarHBondContact CB-O 3.21Å; L928-S931 PolarHBondContact O-N 3.31Å |
| 932 | I | 92.8 | Very high | 92 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -108.8 | 114.9 | -174.4 | -58.7 | -53.4 | 0 | 0 | 0 | 110.8 | I893 F897 L928 F935 L938 | I893-I932 HydrophobicContact CG2-CD1 3.91Å; F897-I932 HydrophobicContact CB-CD1 3.48Å; F897-I932 VanDerWaalsContact CB-CD1 3.48Å; F897-I932 HydrophobicContact CD1-CD1 4.12Å; F897-I932 HydrophobicContact CD1-CG2 3.86Å; F897-I932 HydrophobicContact CD2-CD1 3.6Å; F897-I932 HydrophobicContact CD2-CG1 4.06Å; F897-I932 HydrophobicContact CE1-CG2 3.84Å; F897-I932 HydrophobicContact CE2-CD1 4.35Å; F897-I932 HydrophobicContact CE2-CG1 4.33Å; F897-I932 HydrophobicContact CG-CD1 3.45Å; F897-I932 VanDerWaalsContact CG-CD1 3.45Å; F897-I932 HydrophobicContact CG-CG1 4.2Å; F897-I932 HydrophobicContact CG-CG2 4.28Å; F897-I932 HydrophobicContact CZ-CG2 4.2Å; L928-I932 HydrophobicContact CB-CG1 4.09Å; L928-I932 WeakPolarHBondContact O-CG1 3.33Å; L928-I932 PolarHBondContact O-N 2.83Å; L928-I932 VanDerWaalsContact O-N 3.07Å; I932-F935 HydrophobicContact CB-CD2 4.04Å; I932-F935 HydrophobicContact CG2-CD2 4.3Å; I932-F935 PolarHBondContact O-N 3.37Å; I932-L938 HydrophobicContact CG2-CD1 3.72Å |
| 933 | P | 93.7 | Very high | 91.9 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 28% | 0.279 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 142.7 | 174.3 | -26 | 37 | 0 | 0 | 0 | 112.4 | F935 Y972 Y973 | P933-F935 PolarHBondContact O-N 3.11Å; P933-Y972 HydrophobicContact CB-CD1 3.95Å; P933-Y972 HydrophobicContact CB-CD2 4.15Å; P933-Y972 HydrophobicContact CB-CE1 4.25Å; P933-Y972 HydrophobicContact CB-CE2 4.45Å; P933-Y972 HydrophobicContact CB-CG 3.9Å; P933-Y972 HydrophobicContact CG-CD1 4.06Å; P933-Y972 HydrophobicContact CG-CD2 4.08Å; P933-Y972 HydrophobicContact CG-CE1 3.84Å; P933-Y972 HydrophobicContact CG-CE2 3.88Å; P933-Y972 HydrophobicContact CG-CG 4.18Å; P933-Y973 VanDerWaalsContact O-CE2 3.3Å; P933-Y973 WeakPolarHBondContact O-CE2 3.41Å; P933-Y973 PolarHBondContact O-OH 3.17Å |
| 934 | C | 93.9 | Very high | 91.7 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.5 | -177.9 | -50.8 | 0 | 0 | 0 | 0 | 113.5 | H936 D937 L938 L970 Y973 | C934-H936 VanDerWaalsContact C-N 3.31Å; C934-H936 PolarHBondContact O-N 3.43Å; C934-D937 HydrophobicContact CB-CB 4.19Å; C934-D937 WeakPolarHBondContact CB-OD2 3.48Å; C934-D937 PolarHBondContact O-N 3.25Å; C934-D937 VanDerWaalsContact O-N 3.15Å; C934-L938 WeakPolarHBondContact O-CG 3.34Å; C934-L938 PolarHBondContact O-N 2.93Å; C934-L970 HydrophobicContact CB-CD1 4.21Å; C934-L970 HydrophobicContact CB-CD2 4.4Å; C934-Y973 HydrophobicContact CB-CE2 4.14Å |
| 935 | F | 93.7 | Very high | 91.3 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -51.3 | -46.5 | -176.4 | -175.9 | -97.4 | 0 | 0 | 0 | 113 | L923 L928 I932 P933 L938 V939 | L923-F935 HydrophobicContact CD2-CD2 3.76Å; L923-F935 HydrophobicContact CD2-CE2 3.61Å; L923-F935 HydrophobicContact CD2-CZ 4.34Å; L923-F935 WeakPolarHBondContact O-CZ 3.39Å; L928-F935 HydrophobicContact CB-CE2 4.32Å; I932-F935 HydrophobicContact CB-CD2 4.04Å; I932-F935 HydrophobicContact CG2-CD2 4.3Å; I932-F935 PolarHBondContact O-N 3.37Å; P933-F935 PolarHBondContact O-N 3.11Å; F935-L938 WeakPolarHBondContact O-CB 3.23Å; F935-L938 PolarHBondContact O-N 3.14Å; F935-V939 HydrophobicContact CD1-CG2 4.05Å; F935-V939 HydrophobicContact CE1-CG2 3.74Å; F935-V939 HydrophobicContact CZ-CG2 4.09Å; F935-V939 WeakPolarHBondContact O-CG2 3.4Å; F935-V939 PolarHBondContact O-N 3.36Å |
| 936 | H | 93.7 | Very high | 90.5 | Very high | 152 Ų | 152 | 54 Ų | 54 | 70% | 0.704 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.4 | -40.3 | -179.8 | -67.3 | -58.1 | 0 | 0 | 0 | 113.2 | C934 L938 V939 E940 | C934-H936 VanDerWaalsContact C-N 3.31Å; C934-H936 PolarHBondContact O-N 3.43Å; H936-L938 VanDerWaalsContact C-N 3.29Å; H936-L938 PolarHBondContact O-N 2.94Å; H936-V939 PolarHBondContact O-N 2.96Å; H936-E940 PolarHBondContact O-N 3.09Å |
| 937 | D | 95.8 | Very high | 90 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 174.8 | -55 | -77.6 | 0 | 0 | 0 | 111 | C934 E940 I941 L970 | C934-D937 HydrophobicContact CB-CB 4.19Å; C934-D937 WeakPolarHBondContact CB-OD2 3.48Å; C934-D937 PolarHBondContact O-N 3.25Å; C934-D937 VanDerWaalsContact O-N 3.15Å; D937-E940 WeakPolarHBondContact O-CB 3.44Å; D937-E940 PolarHBondContact O-N 3.47Å; D937-I941 WeakPolarHBondContact O-CG1 3.49Å; D937-I941 PolarHBondContact O-N 2.85Å; D937-L970 HydrophobicContact CB-CD1 3.94Å; D937-L970 HydrophobicContact CB-CD2 3.9Å |
| 938 | L | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 177.5 | -68.4 | 172.8 | 0 | 0 | 0 | 112.4 | F897 I901 L923 I932 C934 F935 H936 E940 I941 F942 L967 L970 Y973 | F897-L938 HydrophobicContact CD1-CD1 4.44Å; F897-L938 HydrophobicContact CE1-CD1 3.65Å; F897-L938 HydrophobicContact CZ-CD1 4.37Å; I901-L938 HydrophobicContact CD1-CD2 3.75Å; I901-L938 HydrophobicContact CG1-CD2 4.5Å; L923-L938 HydrophobicContact CD1-CB 4.06Å; L923-L938 HydrophobicContact CD2-CB 4.04Å; I932-L938 HydrophobicContact CG2-CD1 3.72Å; C934-L938 WeakPolarHBondContact O-CG 3.34Å; C934-L938 PolarHBondContact O-N 2.93Å; F935-L938 WeakPolarHBondContact O-CB 3.23Å; F935-L938 PolarHBondContact O-N 3.14Å; H936-L938 VanDerWaalsContact C-N 3.29Å; H936-L938 PolarHBondContact O-N 2.94Å; L938-E940 VanDerWaalsContact C-N 3.29Å; L938-E940 PolarHBondContact O-N 3.4Å; L938-I941 PolarHBondContact O-N 2.79Å; L938-I941 VanDerWaalsContact O-N 3.16Å; L938-F942 HydrophobicContact CD2-CD2 4.46Å; L938-F942 HydrophobicContact CD2-CE2 4.21Å; L938-F942 WeakPolarHBondContact O-CD2 3.22Å; L938-F942 PolarHBondContact O-N 3.31Å; L938-L967 HydrophobicContact CD2-CD2 3.8Å; L938-L970 HydrophobicContact CD2-CD1 4.34Å; L938-Y973 HydrophobicContact CD1-CE2 3.71Å; L938-Y973 WeakPolarHBondContact CD1-OH 3.19Å; L938-Y973 HydrophobicContact CD2-CD2 4.34Å; L938-Y973 HydrophobicContact CD2-CE2 4.1Å; L938-Y973 HydrophobicContact CG-CE2 4.11Å |
| 939 | V | 94.3 | Very high | 89.1 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 172.1 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | L923 F935 H936 I941 L943 S944 | L923-V939 HydrophobicContact CB-CG2 4.36Å; L923-V939 HydrophobicContact CD2-CG2 4.25Å; F935-V939 HydrophobicContact CD1-CG2 4.05Å; F935-V939 HydrophobicContact CE1-CG2 3.74Å; F935-V939 HydrophobicContact CZ-CG2 4.09Å; F935-V939 WeakPolarHBondContact O-CG2 3.4Å; F935-V939 PolarHBondContact O-N 3.36Å; H936-V939 PolarHBondContact O-N 2.96Å; V939-I941 VanDerWaalsContact C-N 3.35Å; V939-I941 PolarHBondContact O-N 3.22Å; V939-L943 HydrophobicContact CG1-CB 4.41Å; V939-L943 HydrophobicContact CG1-CD1 4.32Å; V939-L943 WeakPolarHBondContact O-CA 3.29Å; V939-L943 WeakPolarHBondContact O-CB 3.42Å; V939-L943 PolarHBondContact O-N 3.08Å; V939-S944 PolarHBondContact O-N 3.02Å |
| 940 | E | 93.5 | Very high | 88.4 | Confident | 94 Ų | 94 | 65 Ų | 65 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 174.6 | -165.4 | -161.4 | 136.1 | 0 | 0 | 111.4 | H936 D937 L938 S944 R963 K966 | H936-E940 PolarHBondContact O-N 3.09Å; D937-E940 WeakPolarHBondContact O-CB 3.44Å; D937-E940 PolarHBondContact O-N 3.47Å; L938-E940 VanDerWaalsContact C-N 3.29Å; L938-E940 PolarHBondContact O-N 3.4Å; E940-S944 WeakPolarHBondContact O-CB 3.32Å; E940-S944 PolarHBondContact O-OG 3.25Å; E940-R963 PolarHBondContact O-NH2 3.22Å; E940-K966 IonicContact OE1-NZ 3.25Å; E940-K966 PolarHBondContact OE1-NZ 3.29Å |
| 941 | I | 94.3 | Very high | 87.9 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.6 | -47 | -178.2 | -66.9 | 165 | 0 | 0 | 0 | 111.7 | D937 L938 V939 R963 L964 K966 L967 L970 | D937-I941 WeakPolarHBondContact O-CG1 3.49Å; D937-I941 PolarHBondContact O-N 2.85Å; L938-I941 PolarHBondContact O-N 2.79Å; L938-I941 VanDerWaalsContact O-N 3.16Å; V939-I941 VanDerWaalsContact C-N 3.35Å; V939-I941 PolarHBondContact O-N 3.22Å; I941-R963 PolarHBondContact O-NE 3.25Å; I941-R963 PolarHBondContact O-NH2 3.22Å; I941-L964 HydrophobicContact CG2-CD2 4.25Å; I941-K966 HydrophobicContact CD1-CB 3.71Å; I941-K966 HydrophobicContact CG1-CB 3.84Å; I941-K966 HydrophobicContact CG1-CD 3.92Å; I941-L967 HydrophobicContact CD1-CD2 3.82Å; I941-L967 HydrophobicContact CD1-CG 4.29Å; I941-L970 HydrophobicContact CD1-CD1 4.01Å |
| 942 | F | 94.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -97.7 | -24.2 | -168.5 | -76.7 | -92.2 | 0 | 0 | 0 | 115 | I901 C916 V919 S920 L923 L938 P952 W954 L964 | I901-F942 HydrophobicContact CD1-CD2 4.44Å; I901-F942 HydrophobicContact CD1-CE2 3.55Å; I901-F942 HydrophobicContact CD1-CZ 3.75Å; C916-F942 HydrophobicContact CB-CE1 4.21Å; V919-F942 HydrophobicContact CB-CD1 4.08Å; V919-F942 HydrophobicContact CB-CE1 4.06Å; V919-F942 HydrophobicContact CB-CZ 4.48Å; V919-F942 HydrophobicContact CG1-CB 4.36Å; V919-F942 HydrophobicContact CG1-CD1 3.69Å; V919-F942 HydrophobicContact CG1-CD2 3.77Å; V919-F942 HydrophobicContact CG1-CE1 3.85Å; V919-F942 HydrophobicContact CG1-CE2 3.93Å; V919-F942 HydrophobicContact CG1-CG 3.67Å; V919-F942 HydrophobicContact CG1-CZ 3.96Å; S920-F942 PolarHBondContact OG-O 3.02Å; L923-F942 HydrophobicContact CD1-CB 3.76Å; L923-F942 HydrophobicContact CD1-CD2 4.31Å; L923-F942 HydrophobicContact CD1-CG 4.25Å; L938-F942 HydrophobicContact CD2-CD2 4.46Å; L938-F942 HydrophobicContact CD2-CE2 4.21Å; L938-F942 WeakPolarHBondContact O-CD2 3.22Å; L938-F942 PolarHBondContact O-N 3.31Å; F942-P952 WeakPolarHBondContact O-CG 3.46Å; F942-W954 HydrophobicContact CB-CZ2 4.38Å; F942-W954 AromaticContact CD1-CH2 3.77Å; F942-W954 HydrophobicContact CD1-CH2 3.77Å; F942-W954 AromaticContact CD1-CZ2 3.64Å; F942-W954 HydrophobicContact CD1-CZ2 3.64Å; F942-W954 HydrophobicContact CE1-CH2 4.21Å; F942-W954 HydrophobicContact CE1-CZ2 4.33Å; F942-W954 HydrophobicContact CG-CH2 4.32Å; F942-W954 HydrophobicContact CG-CZ2 4.33Å; F942-L964 HydrophobicContact CE1-CD2 4.01Å; F942-L964 HydrophobicContact CE2-CD2 4.18Å; F942-L964 HydrophobicContact CZ-CD2 3.56Å |
| 943 | L | 92.6 | Very high | 87 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -117.3 | -25.2 | -173 | -60.4 | -179.1 | 0 | 0 | 0 | 114.2 | L923 L924 V939 K945 | L923-L943 HydrophobicContact CB-CD1 3.79Å; L923-L943 HydrophobicContact CB-CG 4.4Å; L924-L943 HydrophobicContact CD2-CD1 3.82Å; L924-L943 HydrophobicContact CD2-CD2 4.47Å; L924-L943 HydrophobicContact CG-CD1 4.29Å; V939-L943 HydrophobicContact CG1-CB 4.41Å; V939-L943 HydrophobicContact CG1-CD1 4.32Å; V939-L943 WeakPolarHBondContact O-CA 3.29Å; V939-L943 WeakPolarHBondContact O-CB 3.42Å; V939-L943 PolarHBondContact O-N 3.08Å; L943-K945 PolarHBondContact O-N 2.87Å |
| 944 | S | 89.2 | Confident | 86.7 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 30% | 0.301 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -65.1 | 134.5 | -176.2 | 75.8 | 0 | 0 | 0 | 0 | 111.9 | V939 E940 R963 | V939-S944 PolarHBondContact O-N 3.02Å; E940-S944 WeakPolarHBondContact O-CB 3.32Å; E940-S944 PolarHBondContact O-OG 3.25Å; S944-R963 VanDerWaalsContact O-CZ 3.28Å; S944-R963 PolarHBondContact O-NH1 3.12Å; S944-R963 PolarHBondContact O-NH2 2.81Å; S944-R963 PolarHBondContact OG-NH2 3.35Å |
| 945 | K | 85.5 | Confident | 86.4 | Confident | 139 Ų | 139 | 69.2 Ų | 69.2 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | trans | -63.8 | 148.7 | 177.9 | -70.2 | 173.4 | 167.6 | -164.8 | 0 | 110.6 | L943 G949 Q950 | L943-K945 PolarHBondContact O-N 2.87Å; K945-G949 VanDerWaalsContact CD-O 3.28Å; K945-G949 WeakPolarHBondContact CD-O 3.24Å; K945-Q950 VanDerWaalsContact CA-O 3.29Å; K945-Q950 WeakPolarHBondContact CA-O 3.46Å | ||
| 946 | D | 74 | Confident | 86.2 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | trans | -69.3 | -178.2 | 172.5 | 78.5 | -11.7 | 0 | 0 | 0 | 111.8 | N948 G949 Q950 F959 | D946-N948 PolarHBondContact O-N 3.25Å; D946-N948 WeakPolarHBondContact OD1-CA 3.4Å; D946-N948 WeakPolarHBondContact OD1-CB 3.4Å; D946-N948 PolarHBondContact OD1-N 3.35Å; D946-G949 PolarHBondContact O-N 2.71Å; D946-G949 PolarHBondContact OD1-N 3.38Å; D946-G949 VanDerWaalsContact OD1-N 3.09Å; D946-Q950 PolarHBondContact N-O 3.17Å; D946-Q950 PolarHBondContact OD1-N 3.22Å; D946-F959 HydrophobicContact CB-CE2 4.34Å | ||
| 947 | K | 73.8 | Confident | 86 | Confident | 218 Ų | 218 | 68.1 Ų | 68.1 | 95% | 0.948 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -18.7 | 178.2 | -65.7 | -178.1 | 179.5 | 179.3 | 0 | 113.6 | ||
| 948 | N | 76.7 | Confident | 85.8 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 63% | 0.631 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 4 | -179.1 | -61.6 | -38.3 | 0 | 0 | 0 | 112.7 | D946 Q950 | D946-N948 PolarHBondContact O-N 3.25Å; D946-N948 WeakPolarHBondContact OD1-CA 3.4Å; D946-N948 WeakPolarHBondContact OD1-CB 3.4Å; D946-N948 PolarHBondContact OD1-N 3.35Å; N948-Q950 VanDerWaalsContact C-N 3.27Å; N948-Q950 HydrophobicContact CB-CG 4.28Å; N948-Q950 PolarHBondContact O-N 2.93Å |
| 949 | G | 78.3 | Confident | 85.5 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 76.3 | 12 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | K945 D946 | K945-G949 VanDerWaalsContact CD-O 3.28Å; K945-G949 WeakPolarHBondContact CD-O 3.24Å; D946-G949 PolarHBondContact O-N 2.71Å; D946-G949 PolarHBondContact OD1-N 3.38Å; D946-G949 VanDerWaalsContact OD1-N 3.09Å |
| 950 | Q | 73.6 | Confident | 85.4 | Confident | 116 Ų | 116 | 67.6 Ų | 67.6 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 145.8 | 180 | -61.9 | -174.9 | 3 | 0 | 0 | 111.2 | K945 D946 N948 | K945-Q950 VanDerWaalsContact CA-O 3.29Å; K945-Q950 WeakPolarHBondContact CA-O 3.46Å; D946-Q950 PolarHBondContact N-O 3.17Å; D946-Q950 PolarHBondContact OD1-N 3.22Å; N948-Q950 VanDerWaalsContact C-N 3.27Å; N948-Q950 HydrophobicContact CB-CG 4.28Å; N948-Q950 PolarHBondContact O-N 2.93Å |
| 951 | S | 77.1 | Confident | 85.5 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 60% | 0.601 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 146.8 | 171.5 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | T953 | S951-T953 PolarHBondContact O-N 2.86Š|
| 952 | P | 79.9 | Confident | 85.5 | Confident | 21 Ų | 21 | 66 Ų | 66 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 132 | 178.4 | -28 | 37.9 | 0 | 0 | 0 | 112.9 | F942 W954 F959 | F942-P952 WeakPolarHBondContact O-CG 3.46Å; P952-W954 HydrophobicContact CB-CH2 3.96Å; P952-W954 HydrophobicContact CB-CZ2 3.6Å; P952-W954 HydrophobicContact CG-CZ2 4.41Å; P952-F959 HydrophobicContact CB-CE1 3.95Å; P952-F959 HydrophobicContact CB-CZ 4.21Å |
| 953 | T | 81.9 | Confident | 85.4 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | trans | -108.2 | 122.5 | 174.1 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | S951 F959 | S951-T953 PolarHBondContact O-N 2.86Å; T953-F959 WeakPolarHBondContact O-CD1 3.35Å; T953-F959 WeakPolarHBondContact O-CE1 3.48Å | ||
| 954 | W | 89.2 | Confident | 85.6 | Confident | 11 Ų | 11 | 65 Ų | 65 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -92 | 1 | -174 | -52.3 | 114.4 | 0 | 0 | 0 | 114.1 | R912 C916 F942 P952 A960 L964 | R912-W954 PolarHBondContact NE-O 3.03Å; C916-W954 HydrophobicContact CB-CB 4.18Å; C916-W954 VanDerWaalsContact CB-CD1 3.41Å; C916-W954 HydrophobicContact CB-CD2 3.57Å; C916-W954 HydrophobicContact CB-CE3 4.3Å; C916-W954 HydrophobicContact CB-CG 3.46Å; C916-W954 VanDerWaalsContact CB-CG 3.46Å; C916-W954 HydrophobicContact CB-CZ2 4.36Å; F942-W954 HydrophobicContact CB-CZ2 4.38Å; F942-W954 AromaticContact CD1-CH2 3.77Å; F942-W954 HydrophobicContact CD1-CH2 3.77Å; F942-W954 AromaticContact CD1-CZ2 3.64Å; F942-W954 HydrophobicContact CD1-CZ2 3.64Å; F942-W954 HydrophobicContact CE1-CH2 4.21Å; F942-W954 HydrophobicContact CE1-CZ2 4.33Å; F942-W954 HydrophobicContact CG-CH2 4.32Å; F942-W954 HydrophobicContact CG-CZ2 4.33Å; P952-W954 HydrophobicContact CB-CH2 3.96Å; P952-W954 HydrophobicContact CB-CZ2 3.6Å; P952-W954 HydrophobicContact CG-CZ2 4.41Å; W954-A960 HydrophobicContact CE3-CB 4.28Å; W954-L964 HydrophobicContact CZ3-CD2 4.28Å; W954-L964 HydrophobicContact CZ3-CG 4.28Å |
| 955 | E | 87.1 | Confident | 85.9 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -75.9 | -46.9 | -175.5 | -62.4 | -178.1 | 176.6 | 0 | 0 | 112.3 | L909 Q913 E957 | L909-E955 HydrophobicContact CD1-CB 4.22Å; L909-E955 HydrophobicContact CD1-CG 4.36Å; Q913-E955 PolarHBondContact NE2-OE1 3.36Å; E955-E957 PolarHBondContact O-N 2.97Å |
| 956 | L | 88.4 | Confident | 86.3 | Confident | 104 Ų | 104 | 61.4 Ų | 61.4 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | trans | -73.4 | 117 | 178.5 | -77.1 | 159.2 | 0 | 0 | 0 | 110.4 | T958 F959 A960 | L956-T958 PolarHBondContact O-N 2.92Å; L956-F959 HydrophobicContact CB-CB 4.04Å; L956-F959 PolarHBondContact O-N 3.39Å; L956-A960 VanDerWaalsContact O-CB 3.31Å; L956-A960 WeakPolarHBondContact O-CB 3.38Å; L956-A960 PolarHBondContact O-N 3.46Å | ||
| 957 | E | 90.5 | Very high | 87.4 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 179.5 | -62.4 | 175.4 | 155.7 | 0 | 0 | 111.8 | E955 Y961 S991 L992 V995 | E955-E957 PolarHBondContact O-N 2.97Å; E957-Y961 WeakPolarHBondContact O-CB 3.31Å; E957-Y961 WeakPolarHBondContact O-CD2 3.48Å; E957-Y961 PolarHBondContact O-N 3.07Å; E957-S991 WeakPolarHBondContact OE2-CB 3.28Å; E957-S991 PolarHBondContact OE2-OG 3.08Å; E957-L992 HydrophobicContact CB-CD1 4.37Å; E957-L992 HydrophobicContact CG-CD1 4.28Å; E957-L992 WeakPolarHBondContact OE2-CA 3.39Å; E957-L992 PolarHBondContact OE2-N 3.46Å; E957-V995 HydrophobicContact CB-CG1 4.42Å |
| 958 | T | 90.6 | Very high | 88.4 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 34% | 0.344 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 179.5 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | L956 T962 V995 | L956-T958 PolarHBondContact O-N 2.92Å; T958-T962 WeakPolarHBondContact O-CB 3.3Å; T958-T962 PolarHBondContact O-N 3.48Å; T958-T962 VanDerWaalsContact O-N 3.12Å; T958-T962 PolarHBondContact O-OG1 3.4Å; T958-V995 HydrophobicContact CG2-CB 4.26Å; T958-V995 HydrophobicContact CG2-CG2 4.35Å |
| 959 | F | 90 | Very high | 89 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -51.3 | 176.4 | -179 | -85.2 | 0 | 0 | 0 | 111.4 | D946 P952 T953 L956 R963 | D946-F959 HydrophobicContact CB-CE2 4.34Å; P952-F959 HydrophobicContact CB-CE1 3.95Å; P952-F959 HydrophobicContact CB-CZ 4.21Å; T953-F959 WeakPolarHBondContact O-CD1 3.35Å; T953-F959 WeakPolarHBondContact O-CE1 3.48Å; L956-F959 HydrophobicContact CB-CB 4.04Å; L956-F959 PolarHBondContact O-N 3.39Å; F959-R963 VanDerWaalsContact O-CB 3.3Å; F959-R963 WeakPolarHBondContact O-CB 3.24Å; F959-R963 PolarHBondContact O-N 3.17Å; F959-R963 VanDerWaalsContact O-N 3.12Å |
| 960 | A | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -53.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W954 L956 R963 L964 | W954-A960 HydrophobicContact CE3-CB 4.28Å; L956-A960 VanDerWaalsContact O-CB 3.31Å; L956-A960 WeakPolarHBondContact O-CB 3.38Å; L956-A960 PolarHBondContact O-N 3.46Å; A960-R963 PolarHBondContact O-N 3.41Å; A960-L964 WeakPolarHBondContact O-CB 3.36Å; A960-L964 WeakPolarHBondContact O-CD1 3.4Å; A960-L964 WeakPolarHBondContact O-CG 3.43Å; A960-L964 PolarHBondContact O-N 3.43Å |
| 961 | Y | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -73.6 | -38.2 | -176.8 | -76.4 | -86.9 | 0 | 0 | 0 | 112.6 | L905 D906 E957 R963 L964 S965 Y981 A984 L992 T996 | L905-Y961 HydrophobicContact CD2-CD1 4.09Å; L905-Y961 HydrophobicContact CD2-CE1 3.92Å; L905-Y961 PolarHBondContact O-OH 2.74Å; D906-Y961 PolarHBondContact O-OH 3.5Å; D906-Y961 VanDerWaalsContact O-OH 3.04Å; E957-Y961 WeakPolarHBondContact O-CB 3.31Å; E957-Y961 WeakPolarHBondContact O-CD2 3.48Å; E957-Y961 PolarHBondContact O-N 3.07Å; Y961-R963 PolarHBondContact O-N 2.88Å; Y961-R963 VanDerWaalsContact O-N 3.14Å; Y961-L964 PolarHBondContact O-N 3.04Å; Y961-S965 PolarHBondContact O-N 3.41Å; Y961-Y981 HydrophobicContact CD1-CE1 4.03Å; Y961-Y981 HydrophobicContact CD1-CE2 4.47Å; Y961-Y981 AromaticContact CD1-CZ 3.98Å; Y961-Y981 PolarHBondContact O-OH 2.87Å; Y961-A984 HydrophobicContact CE1-CB 3.93Å; Y961-L992 HydrophobicContact CD2-CD1 3.72Å; Y961-L992 HydrophobicContact CE2-CD1 3.2Å; Y961-T996 HydrophobicContact CD1-CG2 3.28Å; Y961-T996 HydrophobicContact CD2-CG2 3.84Å; Y961-T996 HydrophobicContact CE1-CG2 3.71Å; Y961-T996 HydrophobicContact CE2-CG2 4.23Å; Y961-T996 HydrophobicContact CG-CG2 3.34Å |
| 962 | T | 94 | Very high | 91.4 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 40% | 0.399 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.1 | -39.7 | 174 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | T958 S965 | T958-T962 WeakPolarHBondContact O-CB 3.3Å; T958-T962 PolarHBondContact O-N 3.48Å; T958-T962 VanDerWaalsContact O-N 3.12Å; T958-T962 PolarHBondContact O-OG1 3.4Å; T962-S965 WeakPolarHBondContact O-CB 3.16Å; T962-S965 PolarHBondContact O-OG 2.89Å |
| 963 | R | 92.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.7 | -45.2 | 179.6 | -167 | 165.5 | -177.1 | 121.6 | 13 | 113.2 | E940 I941 S944 F959 A960 Y961 S965 K966 | E940-R963 PolarHBondContact O-NH2 3.22Å; I941-R963 PolarHBondContact O-NE 3.25Å; I941-R963 PolarHBondContact O-NH2 3.22Å; S944-R963 VanDerWaalsContact O-CZ 3.28Å; S944-R963 PolarHBondContact O-NH1 3.12Å; S944-R963 PolarHBondContact O-NH2 2.81Å; S944-R963 PolarHBondContact OG-NH2 3.35Å; F959-R963 VanDerWaalsContact O-CB 3.3Å; F959-R963 WeakPolarHBondContact O-CB 3.24Å; F959-R963 PolarHBondContact O-N 3.17Å; F959-R963 VanDerWaalsContact O-N 3.12Å; A960-R963 PolarHBondContact O-N 3.41Å; Y961-R963 PolarHBondContact O-N 2.88Å; Y961-R963 VanDerWaalsContact O-N 3.14Å; R963-S965 PolarHBondContact O-N 2.92Å; R963-K966 PolarHBondContact O-N 2.87Å |
| 964 | L | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68 | -13 | 177.8 | -67.1 | 169.1 | 0 | 0 | 0 | 112.8 | S904 L905 I941 F942 W954 A960 Y961 K966 L967 | S904-L964 VanDerWaalsContact O-CD1 3.28Å; S904-L964 WeakPolarHBondContact O-CD1 3.4Å; L905-L964 HydrophobicContact CD2-CB 3.83Å; L905-L964 HydrophobicContact CD2-CD1 4Å; L905-L964 HydrophobicContact CD2-CG 4.49Å; L905-L964 HydrophobicContact CG-CD1 4.47Å; I941-L964 HydrophobicContact CG2-CD2 4.25Å; F942-L964 HydrophobicContact CE1-CD2 4.01Å; F942-L964 HydrophobicContact CE2-CD2 4.18Å; F942-L964 HydrophobicContact CZ-CD2 3.56Å; W954-L964 HydrophobicContact CZ3-CD2 4.28Å; W954-L964 HydrophobicContact CZ3-CG 4.28Å; A960-L964 WeakPolarHBondContact O-CB 3.36Å; A960-L964 WeakPolarHBondContact O-CD1 3.4Å; A960-L964 WeakPolarHBondContact O-CG 3.43Å; A960-L964 PolarHBondContact O-N 3.43Å; Y961-L964 PolarHBondContact O-N 3.04Å; L964-K966 PolarHBondContact O-N 3.19Å; L964-L967 HydrophobicContact CB-CD1 4.24Å; L964-L967 HydrophobicContact CD2-CD1 3.77Å; L964-L967 VanDerWaalsContact O-CB 3.23Å; L964-L967 WeakPolarHBondContact O-CB 3.25Å; L964-L967 WeakPolarHBondContact O-CG 3.37Å; L964-L967 PolarHBondContact O-N 2.84Å |
| 965 | S | 95.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -57.4 | -27.5 | 174 | 74.5 | 0 | 0 | 0 | 0 | 113 | Y961 T962 R963 L967 L968 Y981 | Y961-S965 PolarHBondContact O-N 3.41Å; T962-S965 WeakPolarHBondContact O-CB 3.16Å; T962-S965 PolarHBondContact O-OG 2.89Å; R963-S965 PolarHBondContact O-N 2.92Å; S965-L967 PolarHBondContact O-N 3.46Å; S965-L968 VanDerWaalsContact O-CB 3.22Å; S965-L968 WeakPolarHBondContact O-CB 3.35Å; S965-L968 WeakPolarHBondContact O-CG 3.33Å; S965-L968 PolarHBondContact O-N 2.98Å; S965-Y981 WeakPolarHBondContact CA-OH 3.5Å; S965-Y981 VanDerWaalsContact CB-OH 3.31Å; S965-Y981 WeakPolarHBondContact CB-OH 3.46Å; S965-Y981 PolarHBondContact N-OH 3.32Å |
| 966 | K | 95 | Very high | 93.5 | Very high | 81 Ų | 81 | 37.1 Ų | 37.1 | 35% | 0.352 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -59.5 | -25.4 | 173.6 | -66.4 | -178.5 | 175.5 | -174.1 | 0 | 112.9 | E940 I941 R963 L964 L968 S969 | E940-K966 IonicContact OE1-NZ 3.25Å; E940-K966 PolarHBondContact OE1-NZ 3.29Å; I941-K966 HydrophobicContact CD1-CB 3.71Å; I941-K966 HydrophobicContact CG1-CB 3.84Å; I941-K966 HydrophobicContact CG1-CD 3.92Å; R963-K966 PolarHBondContact O-N 2.87Å; L964-K966 PolarHBondContact O-N 3.19Å; K966-L968 PolarHBondContact O-N 3.43Å; K966-S969 PolarHBondContact O-N 2.84Å; K966-S969 VanDerWaalsContact O-N 3.15Å; K966-S969 PolarHBondContact O-OG 3.34Å |
| 967 | L | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -64.1 | -25.6 | 174.5 | -63.4 | 172.3 | 0 | 0 | 0 | 112.4 | I901 L905 L938 I941 L964 S965 S969 L970 A977 | I901-L967 HydrophobicContact CG2-CD1 3.91Å; I901-L967 HydrophobicContact CG2-CD2 4.06Å; L905-L967 HydrophobicContact CD1-CD1 4.17Å; L938-L967 HydrophobicContact CD2-CD2 3.8Å; I941-L967 HydrophobicContact CD1-CD2 3.82Å; I941-L967 HydrophobicContact CD1-CG 4.29Å; L964-L967 HydrophobicContact CB-CD1 4.24Å; L964-L967 HydrophobicContact CD2-CD1 3.77Å; L964-L967 VanDerWaalsContact O-CB 3.23Å; L964-L967 WeakPolarHBondContact O-CB 3.25Å; L964-L967 WeakPolarHBondContact O-CG 3.37Å; L964-L967 PolarHBondContact O-N 2.84Å; S965-L967 PolarHBondContact O-N 3.46Å; L967-S969 PolarHBondContact O-N 3.49Å; L967-L970 HydrophobicContact CD2-CD1 4.17Å; L967-L970 PolarHBondContact O-N 3.42Å; L967-L970 VanDerWaalsContact O-N 3.15Å; L967-A977 HydrophobicContact CB-CB 3.9Å |
| 968 | L | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -65.9 | -20.9 | 176.8 | -60.8 | 168.3 | 0 | 0 | 0 | 112.2 | S965 K966 Q974 A977 L978 Y981 Y1003 | S965-L968 VanDerWaalsContact O-CB 3.22Å; S965-L968 WeakPolarHBondContact O-CB 3.35Å; S965-L968 WeakPolarHBondContact O-CG 3.33Å; S965-L968 PolarHBondContact O-N 2.98Å; K966-L968 PolarHBondContact O-N 3.43Å; L968-Q974 WeakPolarHBondContact O-CG 3.27Å; L968-A977 HydrophobicContact CD2-CB 3.78Å; L968-A977 HydrophobicContact CG-CB 4.4Å; L968-L978 HydrophobicContact CD2-CD2 3.86Å; L968-L978 HydrophobicContact CD2-CG 4.09Å; L968-Y981 HydrophobicContact CD1-CD2 4.19Å; L968-Y981 HydrophobicContact CD1-CE2 4.05Å; L968-Y981 HydrophobicContact CD2-CD2 3.84Å; L968-Y981 HydrophobicContact CD2-CE2 4.28Å; L968-Y981 HydrophobicContact CD2-CG 4.43Å; L968-Y981 HydrophobicContact CG-CD2 4.15Å; L968-Y981 HydrophobicContact CG-CE2 4.08Å; L968-Y1003 HydrophobicContact CB-CD1 4.48Å; L968-Y1003 HydrophobicContact CB-CD2 3.55Å; L968-Y1003 HydrophobicContact CB-CE1 4.35Å; L968-Y1003 HydrophobicContact CB-CE2 3.36Å; L968-Y1003 HydrophobicContact CB-CG 4.1Å; L968-Y1003 HydrophobicContact CD1-CD1 4.35Å; L968-Y1003 HydrophobicContact CD1-CD2 4.03Å; L968-Y1003 HydrophobicContact CD1-CG 3.86Å; L968-Y1003 HydrophobicContact CG-CD2 4.43Å; L968-Y1003 VanDerWaalsContact O-CE2 3.29Å; L968-Y1003 WeakPolarHBondContact O-CE2 3.41Å; L968-Y1003 VanDerWaalsContact O-CZ 3.29Å; L968-Y1003 PolarHBondContact O-OH 3.39Å |
| 969 | S | 90.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 28.1 Ų | 28.1 | 48% | 0.476 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -91.1 | -6.6 | 174.7 | 40.4 | 0 | 0 | 0 | 0 | 114.6 | K966 L967 | K966-S969 PolarHBondContact O-N 2.84Å; K966-S969 VanDerWaalsContact O-N 3.15Å; K966-S969 PolarHBondContact O-OG 3.34Å; L967-S969 PolarHBondContact O-N 3.49Å |
| 970 | L | 94.1 | Very high | 94.6 | Very high | 17 Ų | 17 | 25.9 Ų | 25.9 | 9% | 0.089 | 14% | 0.14 | C | C | . | . | trans | -96.2 | 102.5 | 179.5 | -57.8 | -177.4 | 0 | 0 | 0 | 109.8 | C934 D937 L938 I941 L967 Y972 Y973 Q974 | C934-L970 HydrophobicContact CB-CD1 4.21Å; C934-L970 HydrophobicContact CB-CD2 4.4Å; D937-L970 HydrophobicContact CB-CD1 3.94Å; D937-L970 HydrophobicContact CB-CD2 3.9Å; L938-L970 HydrophobicContact CD2-CD1 4.34Å; I941-L970 HydrophobicContact CD1-CD1 4.01Å; L967-L970 HydrophobicContact CD2-CD1 4.17Å; L967-L970 PolarHBondContact O-N 3.42Å; L967-L970 VanDerWaalsContact O-N 3.15Å; L970-Y972 PolarHBondContact O-N 3.03Å; L970-Y972 VanDerWaalsContact O-N 3.07Å; L970-Y973 HydrophobicContact CB-CD2 4.05Å; L970-Y973 HydrophobicContact CD1-CD2 4.05Å; L970-Y973 CarbonylContact O-C 3.52Å; L970-Y973 PolarHBondContact O-N 2.68Å; L970-Q974 WeakPolarHBondContact O-CB 3.47Å; L970-Q974 PolarHBondContact O-N 2.88Å | ||
| 971 | S | 91.3 | Very high | 94.8 | Very high | 86 Ų | 86 | 25.9 Ų | 25.9 | 60% | 0.601 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -50.2 | -39 | -173.9 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | Y973 | S971-Y973 VanDerWaalsContact C-N 3.35Å; S971-Y973 PolarHBondContact O-N 3.08Å |
| 972 | Y | 93.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 25.9 Ų | 25.9 | 29% | 0.286 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.2 | -34.5 | 179.1 | -169.7 | -94.6 | 0 | 0 | 0 | 113.8 | K898 P933 L970 | K898-Y972 HydrophobicContact CB-CE1 4.09Å; K898-Y972 HydrophobicContact CD-CD1 4.26Å; K898-Y972 HydrophobicContact CD-CE1 3.74Å; K898-Y972 WeakPolarHBondContact CE-O 3.42Å; K898-Y972 HydrophobicContact CG-CE1 4.24Å; K898-Y972 PolarHBondContact NZ-O 2.89Å; P933-Y972 HydrophobicContact CB-CD1 3.95Å; P933-Y972 HydrophobicContact CB-CD2 4.15Å; P933-Y972 HydrophobicContact CB-CE1 4.25Å; P933-Y972 HydrophobicContact CB-CE2 4.45Å; P933-Y972 HydrophobicContact CB-CG 3.9Å; P933-Y972 HydrophobicContact CG-CD1 4.06Å; P933-Y972 HydrophobicContact CG-CD2 4.08Å; P933-Y972 HydrophobicContact CG-CE1 3.84Å; P933-Y972 HydrophobicContact CG-CE2 3.88Å; P933-Y972 HydrophobicContact CG-CG 4.18Å; L970-Y972 PolarHBondContact O-N 3.03Å; L970-Y972 VanDerWaalsContact O-N 3.07Å |
| 973 | Y | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -102.7 | -11.7 | -177.8 | -59.4 | -70.6 | 0 | 0 | 0 | 113.5 | K898 I901 P933 C934 L938 L970 S971 Y975 G976 A977 | K898-Y973 HydrophobicContact CB-CD1 4.44Å; K898-Y973 HydrophobicContact CB-CE1 4.17Å; K898-Y973 HydrophobicContact CG-CD1 4.15Å; K898-Y973 HydrophobicContact CG-CE1 4.36Å; I901-Y973 HydrophobicContact CB-CD1 3.99Å; I901-Y973 HydrophobicContact CB-CE1 4.33Å; I901-Y973 HydrophobicContact CG1-CD1 4.05Å; I901-Y973 HydrophobicContact CG1-CE1 3.93Å; I901-Y973 HydrophobicContact CG2-CD1 3.76Å; I901-Y973 HydrophobicContact CG2-CE1 4.49Å; I901-Y973 HydrophobicContact CG2-CG 4.1Å; P933-Y973 VanDerWaalsContact O-CE2 3.3Å; P933-Y973 WeakPolarHBondContact O-CE2 3.41Å; P933-Y973 PolarHBondContact O-OH 3.17Å; C934-Y973 HydrophobicContact CB-CE2 4.14Å; L938-Y973 HydrophobicContact CD1-CE2 3.71Å; L938-Y973 WeakPolarHBondContact CD1-OH 3.19Å; L938-Y973 HydrophobicContact CD2-CD2 4.34Å; L938-Y973 HydrophobicContact CD2-CE2 4.1Å; L938-Y973 HydrophobicContact CG-CE2 4.11Å; L970-Y973 HydrophobicContact CB-CD2 4.05Å; L970-Y973 HydrophobicContact CD1-CD2 4.05Å; L970-Y973 CarbonylContact O-C 3.52Å; L970-Y973 PolarHBondContact O-N 2.68Å; S971-Y973 VanDerWaalsContact C-N 3.35Å; S971-Y973 PolarHBondContact O-N 3.08Å; Y973-Y975 VanDerWaalsContact C-N 3.34Å; Y973-Y975 PolarHBondContact O-N 3.45Å; Y973-G976 PolarHBondContact O-N 2.94Å; Y973-G976 VanDerWaalsContact O-N 3.12Å; Y973-A977 PolarHBondContact O-N 3.44Å |
| 974 | Q | 94.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.2 | -43.1 | -169.7 | -170.1 | -163.4 | 18.5 | 0 | 0 | 113.4 | L968 L970 G976 A977 L978 Y1003 N1020 | L968-Q974 WeakPolarHBondContact O-CG 3.27Å; L970-Q974 WeakPolarHBondContact O-CB 3.47Å; L970-Q974 PolarHBondContact O-N 2.88Å; Q974-G976 VanDerWaalsContact C-N 3.34Å; Q974-G976 PolarHBondContact O-N 2.91Å; Q974-A977 CarbonylContact O-C 3.55Å; Q974-A977 WeakPolarHBondContact O-CA 3.28Å; Q974-A977 WeakPolarHBondContact O-CB 3.46Å; Q974-A977 PolarHBondContact O-N 3.5Å; Q974-A977 VanDerWaalsContact O-N 3.08Å; Q974-L978 HydrophobicContact CG-CD1 3.86Å; Q974-L978 HydrophobicContact CG-CG 4.17Å; Q974-L978 WeakPolarHBondContact O-CB 3.46Å; Q974-L978 WeakPolarHBondContact O-CG 3.37Å; Q974-L978 PolarHBondContact O-N 3.08Å; Q974-Y1003 PolarHBondContact NE2-OH 3.17Å; Q974-N1020 PolarHBondContact OE1-ND2 3.18Å |
| 975 | Y | 95.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 22.2 Ų | 22.2 | 29% | 0.29 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 179.7 | -178.2 | -80.9 | 0 | 0 | 0 | 111.8 | Y973 A977 F979 Q1023 V1024 D1027 Y1028 | Y973-Y975 VanDerWaalsContact C-N 3.34Å; Y973-Y975 PolarHBondContact O-N 3.45Å; Y975-A977 VanDerWaalsContact C-N 3.3Å; Y975-A977 PolarHBondContact O-N 3.45Å; Y975-F979 WeakPolarHBondContact O-CB 3.27Å; Y975-F979 PolarHBondContact O-N 3.33Å; Y975-Q1023 HydrophobicContact CE2-CG 4.41Å; Y975-V1024 HydrophobicContact CD1-CG2 4.28Å; Y975-V1024 HydrophobicContact CD2-CG2 3.51Å; Y975-V1024 HydrophobicContact CE1-CG2 4.23Å; Y975-V1024 HydrophobicContact CE2-CB 4.44Å; Y975-V1024 HydrophobicContact CE2-CG2 3.49Å; Y975-V1024 VanDerWaalsContact CE2-CG2 3.49Å; Y975-V1024 HydrophobicContact CG-CG2 3.93Å; Y975-D1027 WeakPolarHBondContact CE2-OD2 3.38Å; Y975-D1027 WeakPolarHBondContact OH-CB 3.25Å; Y975-D1027 PolarHBondContact OH-OD2 3.13Å; Y975-Y1028 HydrophobicContact CE1-CE2 4.28Å; Y975-Y1028 WeakPolarHBondContact OH-CE2 3.36Å |
| 976 | G | 94.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.2 | -34.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y973 Q974 F979 G980 | Y973-G976 PolarHBondContact O-N 2.94Å; Y973-G976 VanDerWaalsContact O-N 3.12Å; Q974-G976 VanDerWaalsContact C-N 3.34Å; Q974-G976 PolarHBondContact O-N 2.91Å; G976-F979 PolarHBondContact O-N 3.3Å; G976-G980 PolarHBondContact O-N 3.47Å |
| 977 | A | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.7 | -55.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L905 L967 L968 Y973 Q974 Y975 F979 G980 Y981 | L905-A977 VanDerWaalsContact CD1-CA 3.45Å; L905-A977 HydrophobicContact CD1-CB 4.12Å; L967-A977 HydrophobicContact CB-CB 3.9Å; L968-A977 HydrophobicContact CD2-CB 3.78Å; L968-A977 HydrophobicContact CG-CB 4.4Å; Y973-A977 PolarHBondContact O-N 3.44Å; Q974-A977 CarbonylContact O-C 3.55Å; Q974-A977 WeakPolarHBondContact O-CA 3.28Å; Q974-A977 WeakPolarHBondContact O-CB 3.46Å; Q974-A977 PolarHBondContact O-N 3.5Å; Q974-A977 VanDerWaalsContact O-N 3.08Å; Y975-A977 VanDerWaalsContact C-N 3.3Å; Y975-A977 PolarHBondContact O-N 3.45Å; A977-F979 VanDerWaalsContact C-N 3.3Å; A977-F979 PolarHBondContact O-N 2.8Å; A977-G980 PolarHBondContact O-N 3.41Å; A977-Y981 VanDerWaalsContact O-CD2 3.3Å; A977-Y981 WeakPolarHBondContact O-CD2 3.49Å; A977-Y981 PolarHBondContact O-N 2.78Å |
| 978 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.2 | -43.7 | 177 | -71.5 | 166.6 | 0 | 0 | 0 | 111.5 | L968 Q974 G980 Y981 I982 L1000 N1020 F1021 V1024 | L968-L978 HydrophobicContact CD2-CD2 3.86Å; L968-L978 HydrophobicContact CD2-CG 4.09Å; Q974-L978 HydrophobicContact CG-CD1 3.86Å; Q974-L978 HydrophobicContact CG-CG 4.17Å; Q974-L978 WeakPolarHBondContact O-CB 3.46Å; Q974-L978 WeakPolarHBondContact O-CG 3.37Å; Q974-L978 PolarHBondContact O-N 3.08Å; L978-G980 PolarHBondContact O-N 2.91Å; L978-Y981 PolarHBondContact O-N 3.29Å; L978-I982 WeakPolarHBondContact O-CB 3.28Å; L978-I982 WeakPolarHBondContact O-CD1 3.18Å; L978-I982 WeakPolarHBondContact O-CG1 3.2Å; L978-I982 PolarHBondContact O-N 2.98Å; L978-L1000 HydrophobicContact CD2-CD1 4.16Å; L978-N1020 HydrophobicContact CD1-CB 3.88Å; L978-F1021 HydrophobicContact CD1-CB 4.3Å; L978-F1021 HydrophobicContact CD2-CB 4.26Å; L978-F1021 HydrophobicContact CD2-CD2 4.35Å; L978-V1024 HydrophobicContact CB-CG2 4.17Å |
| 979 | F | 95.3 | Very high | 93.7 | Very high | 14 Ų | 14 | 25 Ų | 25 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.3 | -49.4 | 175.2 | 172.4 | -101.3 | 0 | 0 | 0 | 112.8 | K854 T902 Y975 G976 A977 I983 V1024 Y1028 W1033 F1034 | K854-F979 HydrophobicContact CD-CZ 4.1Å; T902-F979 HydrophobicContact CG2-CD1 3.99Å; T902-F979 HydrophobicContact CG2-CE1 4.43Å; Y975-F979 WeakPolarHBondContact O-CB 3.27Å; Y975-F979 PolarHBondContact O-N 3.33Å; G976-F979 PolarHBondContact O-N 3.3Å; A977-F979 VanDerWaalsContact C-N 3.3Å; A977-F979 PolarHBondContact O-N 2.8Å; F979-I983 HydrophobicContact CD1-CD1 4.23Å; F979-I983 HydrophobicContact CD2-CD1 4.25Å; F979-I983 HydrophobicContact CE1-CD1 3.81Å; F979-I983 HydrophobicContact CE2-CD1 3.81Å; F979-I983 HydrophobicContact CG-CD1 4.46Å; F979-I983 HydrophobicContact CZ-CD1 3.58Å; F979-I983 WeakPolarHBondContact O-CG1 3.34Å; F979-I983 PolarHBondContact O-N 2.87Å; F979-V1024 HydrophobicContact CB-CG1 3.97Å; F979-V1024 HydrophobicContact CD2-CG1 4.26Å; F979-Y1028 AromaticContact CD2-CD2 3.92Å; F979-Y1028 HydrophobicContact CD2-CD2 3.92Å; F979-Y1028 HydrophobicContact CD2-CE1 4.36Å; F979-Y1028 AromaticContact CD2-CE2 3.62Å; F979-Y1028 HydrophobicContact CD2-CE2 3.62Å; F979-Y1028 HydrophobicContact CD2-CG 4.42Å; F979-Y1028 AromaticContact CD2-CZ 3.87Å; F979-Y1028 AromaticContact CE2-CD1 3.96Å; F979-Y1028 HydrophobicContact CE2-CD1 3.96Å; F979-Y1028 HydrophobicContact CE2-CD2 4.05Å; F979-Y1028 AromaticContact CE2-CE1 3.66Å; F979-Y1028 HydrophobicContact CE2-CE1 3.66Å; F979-Y1028 AromaticContact CE2-CE2 3.78Å; F979-Y1028 HydrophobicContact CE2-CE2 3.78Å; F979-Y1028 HydrophobicContact CE2-CG 4.14Å; F979-Y1028 AromaticContact CE2-CZ 3.58Å; F979-Y1028 HydrophobicContact CZ-CE1 4.35Å; F979-W1033 AromaticContact CE2-CH2 3.77Å; F979-W1033 HydrophobicContact CE2-CH2 3.77Å; F979-W1033 HydrophobicContact CE2-CZ3 4.37Å; F979-W1033 AromaticContact CZ-CH2 3.81Å; F979-W1033 HydrophobicContact CZ-CH2 3.81Å; F979-W1033 HydrophobicContact CZ-CZ3 4.38Å; F979-F1034 HydrophobicContact CD2-CE2 4.02Å; F979-F1034 HydrophobicContact CE2-CD2 4.37Å; F979-F1034 HydrophobicContact CE2-CE2 4.12Å |
| 980 | G | 94.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G976 A977 L978 I983 A984 | G976-G980 PolarHBondContact O-N 3.47Å; A977-G980 PolarHBondContact O-N 3.41Å; L978-G980 PolarHBondContact O-N 2.91Å; G980-I983 PolarHBondContact O-N 3.4Å; G980-A984 WeakPolarHBondContact O-CB 3.17Å; G980-A984 PolarHBondContact O-N 3.27Å |
| 981 | Y | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 178.2 | -92.8 | -83.4 | 0 | 0 | 0 | 113.5 | L905 Y961 S965 L968 A977 L978 I983 A984 A985 T996 E999 L1000 | L905-Y981 HydrophobicContact CD2-CD2 3.97Å; L905-Y981 HydrophobicContact CD2-CE2 3.64Å; Y961-Y981 HydrophobicContact CD1-CE1 4.03Å; Y961-Y981 HydrophobicContact CD1-CE2 4.47Å; Y961-Y981 AromaticContact CD1-CZ 3.98Å; Y961-Y981 PolarHBondContact O-OH 2.87Å; S965-Y981 WeakPolarHBondContact CA-OH 3.5Å; S965-Y981 VanDerWaalsContact CB-OH 3.31Å; S965-Y981 WeakPolarHBondContact CB-OH 3.46Å; S965-Y981 PolarHBondContact N-OH 3.32Å; L968-Y981 HydrophobicContact CD1-CD2 4.19Å; L968-Y981 HydrophobicContact CD1-CE2 4.05Å; L968-Y981 HydrophobicContact CD2-CD2 3.84Å; L968-Y981 HydrophobicContact CD2-CE2 4.28Å; L968-Y981 HydrophobicContact CD2-CG 4.43Å; L968-Y981 HydrophobicContact CG-CD2 4.15Å; L968-Y981 HydrophobicContact CG-CE2 4.08Å; A977-Y981 VanDerWaalsContact O-CD2 3.3Å; A977-Y981 WeakPolarHBondContact O-CD2 3.49Å; A977-Y981 PolarHBondContact O-N 2.78Å; L978-Y981 PolarHBondContact O-N 3.29Å; Y981-I983 VanDerWaalsContact C-N 3.33Å; Y981-I983 PolarHBondContact O-N 3.13Å; Y981-A984 PolarHBondContact O-N 3.45Å; Y981-A985 WeakPolarHBondContact O-CB 3.04Å; Y981-A985 PolarHBondContact O-N 3.45Å; Y981-T996 HydrophobicContact CD1-CG2 4.36Å; Y981-T996 HydrophobicContact CE1-CG2 4.26Å; Y981-E999 HydrophobicContact CE1-CB 3.99Å; Y981-L1000 HydrophobicContact CD1-CB 4.24Å |
| 982 | I | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 178.1 | -70.9 | 160.2 | 0 | 0 | 0 | 110.5 | L978 G986 F1021 V1024 F1034 M1038 V1041 | L978-I982 WeakPolarHBondContact O-CB 3.28Å; L978-I982 WeakPolarHBondContact O-CD1 3.18Å; L978-I982 WeakPolarHBondContact O-CG1 3.2Å; L978-I982 PolarHBondContact O-N 2.98Å; I982-G986 PolarHBondContact O-N 3.35Å; I982-F1021 HydrophobicContact CD1-CD2 3.84Å; I982-F1021 HydrophobicContact CD1-CE2 3.78Å; I982-F1021 HydrophobicContact CG1-CD2 4.15Å; I982-F1021 HydrophobicContact CG1-CE2 3.74Å; I982-V1024 HydrophobicContact CD1-CB 4.17Å; I982-V1024 HydrophobicContact CD1-CG1 3.69Å; I982-F1034 HydrophobicContact CB-CE2 4.45Å; I982-F1034 HydrophobicContact CB-CZ 4.15Å; I982-F1034 HydrophobicContact CD1-CZ 4.24Å; I982-F1034 HydrophobicContact CG2-CE1 4.17Å; I982-F1034 HydrophobicContact CG2-CE2 3.95Å; I982-F1034 HydrophobicContact CG2-CZ 3.49Å; I982-F1034 VanDerWaalsContact CG2-CZ 3.49Å; I982-M1038 HydrophobicContact CG2-CB 4.45Å; I982-V1041 HydrophobicContact CG2-CG2 4.43Å; I982-V1041 WeakPolarHBondContact O-CG2 3.38Å |
| 983 | I | 93.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 8% | 0.082 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | -180 | -64.5 | 168.9 | 0 | 0 | 0 | 110.9 | F979 G980 Y981 S987 W1033 F1034 | F979-I983 HydrophobicContact CD1-CD1 4.23Å; F979-I983 HydrophobicContact CD2-CD1 4.25Å; F979-I983 HydrophobicContact CE1-CD1 3.81Å; F979-I983 HydrophobicContact CE2-CD1 3.81Å; F979-I983 HydrophobicContact CG-CD1 4.46Å; F979-I983 HydrophobicContact CZ-CD1 3.58Å; F979-I983 WeakPolarHBondContact O-CG1 3.34Å; F979-I983 PolarHBondContact O-N 2.87Å; G980-I983 PolarHBondContact O-N 3.4Å; Y981-I983 VanDerWaalsContact C-N 3.33Å; Y981-I983 PolarHBondContact O-N 3.13Å; I983-S987 PolarHBondContact O-N 2.9Å; I983-S987 VanDerWaalsContact O-N 3.17Å; I983-W1033 HydrophobicContact CD1-CH2 4.42Å; I983-W1033 HydrophobicContact CD1-CZ3 3.77Å; I983-W1033 HydrophobicContact CG1-CZ3 4.36Å; I983-F1034 HydrophobicContact CD1-CD2 4.34Å; I983-F1034 HydrophobicContact CD1-CE2 4.29Å; I983-F1034 HydrophobicContact CG1-CD2 3.98Å; I983-F1034 HydrophobicContact CG1-CE2 3.82Å |
| 984 | A | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.4 | -44.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y961 G980 Y981 G986 S987 L992 T996 | Y961-A984 HydrophobicContact CE1-CB 3.93Å; G980-A984 WeakPolarHBondContact O-CB 3.17Å; G980-A984 PolarHBondContact O-N 3.27Å; Y981-A984 PolarHBondContact O-N 3.45Å; A984-G986 VanDerWaalsContact C-N 3.31Å; A984-G986 PolarHBondContact O-N 2.99Å; A984-S987 WeakPolarHBondContact O-CB 3.44Å; A984-S987 PolarHBondContact O-N 3.24Å; A984-S987 VanDerWaalsContact O-N 3.11Å; A984-S987 PolarHBondContact O-OG 3.37Å; A984-L992 HydrophobicContact CB-CD1 4.03Å; A984-L992 HydrophobicContact CB-CD2 4.12Å; A984-L992 HydrophobicContact CB-CG 3.99Å; A984-T996 VanDerWaalsContact C-OG1 3.27Å; A984-T996 HydrophobicContact CB-CG2 3.72Å |
| 985 | A | 95.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.1 | -30.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y981 S987 S993 T996 L1000 V1041 K1044 | Y981-A985 WeakPolarHBondContact O-CB 3.04Å; Y981-A985 PolarHBondContact O-N 3.45Å; A985-S987 VanDerWaalsContact C-N 3.35Å; A985-S993 PolarHBondContact O-OG 3.35Å; A985-T996 WeakPolarHBondContact CA-OG1 3.47Å; A985-T996 PolarHBondContact N-OG1 3.22Å; A985-L1000 HydrophobicContact CB-CD2 4.5Å; A985-V1041 HydrophobicContact CB-CG2 3.64Å; A985-K1044 PolarHBondContact O-NZ 2.93Å |
| 986 | G | 92.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 0.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I982 A984 P1037 R1040 | I982-G986 PolarHBondContact O-N 3.35Å; A984-G986 VanDerWaalsContact C-N 3.31Å; A984-G986 PolarHBondContact O-N 2.99Å; G986-P1037 WeakPolarHBondContact CA-O 3.25Å; G986-R1040 VanDerWaalsContact O-CD 3.29Å; G986-R1040 WeakPolarHBondContact O-CD 3.23Å; G986-R1040 PolarHBondContact O-NH1 3.09Å |
| 987 | S | 90.5 | Very high | 93.5 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 19% | 0.189 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -67.9 | 163 | -176.5 | 77 | 0 | 0 | 0 | 0 | 112.8 | I983 A984 A985 S989 R1040 | I983-S987 PolarHBondContact O-N 2.9Å; I983-S987 VanDerWaalsContact O-N 3.17Å; A984-S987 WeakPolarHBondContact O-CB 3.44Å; A984-S987 PolarHBondContact O-N 3.24Å; A984-S987 VanDerWaalsContact O-N 3.11Å; A984-S987 PolarHBondContact O-OG 3.37Å; A985-S987 VanDerWaalsContact C-N 3.35Å; S987-S989 VanDerWaalsContact C-N 3.32Å; S987-S989 PolarHBondContact OG-N 2.89Å; S987-R1040 PolarHBondContact O-NH1 3.37Å |
| 988 | A | 86.2 | Confident | 93.4 | Very high | 86 Ų | 86 | 30.4 Ų | 30.4 | 71% | 0.711 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -79.4 | -13.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V990 | A988-V990 PolarHBondContact O-N 2.98Š|
| 989 | S | 88.6 | Confident | 93.4 | Very high | 48 Ų | 48 | 31.5 Ų | 31.5 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | trans | -73.6 | 115.3 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 109.1 | S987 S991 L992 S993 | S987-S989 VanDerWaalsContact C-N 3.32Å; S987-S989 PolarHBondContact OG-N 2.89Å; S989-S991 PolarHBondContact O-N 3.08Å; S989-S991 PolarHBondContact OG-OG 2.82Å; S989-L992 PolarHBondContact O-N 3.42Å; S989-S993 WeakPolarHBondContact O-CB 3.03Å; S989-S993 PolarHBondContact O-N 3.18Å | ||
| 990 | V | 89.1 | Confident | 93.3 | Very high | 114 Ų | 114 | 31 Ų | 31 | 69% | 0.691 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -61.9 | -43.5 | -175.6 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | A988 T994 | A988-V990 PolarHBondContact O-N 2.98Å; V990-T994 VanDerWaalsContact O-CB 3.25Å; V990-T994 WeakPolarHBondContact O-CB 3.36Å; V990-T994 PolarHBondContact O-N 3.11Å; V990-T994 PolarHBondContact O-OG1 2.66Å |
| 991 | S | 89.3 | Confident | 93.2 | Very high | 66 Ų | 66 | 32.8 Ų | 32.8 | 46% | 0.462 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.3 | -51.6 | 179.8 | 53 | 0 | 0 | 0 | 0 | 111.3 | E957 S989 S993 T994 V995 | E957-S991 WeakPolarHBondContact OE2-CB 3.28Å; E957-S991 PolarHBondContact OE2-OG 3.08Å; S989-S991 PolarHBondContact O-N 3.08Å; S989-S991 PolarHBondContact OG-OG 2.82Å; S991-S993 PolarHBondContact O-N 2.91Å; S991-T994 PolarHBondContact O-N 3.12Å; S991-V995 PolarHBondContact O-N 3.39Å; S991-V995 VanDerWaalsContact O-N 3.16Å |
| 992 | L | 92.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 179.5 | -177.8 | 59.8 | 0 | 0 | 0 | 110.6 | E957 Y961 A984 S989 T994 T996 | E957-L992 HydrophobicContact CB-CD1 4.37Å; E957-L992 HydrophobicContact CG-CD1 4.28Å; E957-L992 WeakPolarHBondContact OE2-CA 3.39Å; E957-L992 PolarHBondContact OE2-N 3.46Å; Y961-L992 HydrophobicContact CD2-CD1 3.72Å; Y961-L992 HydrophobicContact CE2-CD1 3.2Å; A984-L992 HydrophobicContact CB-CD1 4.03Å; A984-L992 HydrophobicContact CB-CD2 4.12Å; A984-L992 HydrophobicContact CB-CG 3.99Å; S989-L992 PolarHBondContact O-N 3.42Å; L992-T994 VanDerWaalsContact C-N 3.32Å; L992-T994 PolarHBondContact O-N 2.83Å; L992-T996 HydrophobicContact CD1-CG2 3.94Å; L992-T996 WeakPolarHBondContact O-CB 3.09Å; L992-T996 WeakPolarHBondContact O-CG2 3.27Å; L992-T996 PolarHBondContact O-N 2.96Å; L992-T996 PolarHBondContact O-OG1 3.34Å |
| 993 | S | 94.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 179.7 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | A985 S989 S991 T996 S997 K1044 | A985-S993 PolarHBondContact O-OG 3.35Å; S989-S993 WeakPolarHBondContact O-CB 3.03Å; S989-S993 PolarHBondContact O-N 3.18Å; S991-S993 PolarHBondContact O-N 2.91Å; S993-T996 PolarHBondContact O-OG1 3.47Å; S993-S997 WeakPolarHBondContact O-CB 3.21Å; S993-S997 PolarHBondContact O-N 2.81Å; S993-S997 PolarHBondContact O-OG 3.29Å; S993-K1044 PolarHBondContact OG-NZ 3.11Å |
| 994 | T | 94.6 | Very high | 92.3 | Very high | 87 Ų | 87 | 35 Ų | 35 | 53% | 0.534 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.6 | -54.5 | -178.6 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | V990 S991 L992 K998 | V990-T994 VanDerWaalsContact O-CB 3.25Å; V990-T994 WeakPolarHBondContact O-CB 3.36Å; V990-T994 PolarHBondContact O-N 3.11Å; V990-T994 PolarHBondContact O-OG1 2.66Å; S991-T994 PolarHBondContact O-N 3.12Å; L992-T994 VanDerWaalsContact C-N 3.32Å; L992-T994 PolarHBondContact O-N 2.83Å; T994-K998 WeakPolarHBondContact O-CB 3.44Å; T994-K998 PolarHBondContact O-N 3.21Å |
| 995 | V | 95.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.3 | -43.4 | -176.7 | 64.8 | 0 | 0 | 0 | 0 | 112 | E957 T958 S991 S997 K998 E999 | E957-V995 HydrophobicContact CB-CG1 4.42Å; T958-V995 HydrophobicContact CG2-CB 4.26Å; T958-V995 HydrophobicContact CG2-CG2 4.35Å; S991-V995 PolarHBondContact O-N 3.39Å; S991-V995 VanDerWaalsContact O-N 3.16Å; V995-S997 PolarHBondContact O-N 2.91Å; V995-K998 WeakPolarHBondContact O-CB 3.47Å; V995-K998 PolarHBondContact O-N 3.46Å; V995-E999 HydrophobicContact CG2-CG 4.36Å; V995-E999 WeakPolarHBondContact O-CG 3.16Å; V995-E999 PolarHBondContact O-N 3.48Å |
| 996 | T | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.1 | -34 | -178.4 | 54 | 0 | 0 | 0 | 0 | 112.7 | Y961 Y981 A984 A985 L992 S993 L1000 | Y961-T996 HydrophobicContact CD1-CG2 3.28Å; Y961-T996 HydrophobicContact CD2-CG2 3.84Å; Y961-T996 HydrophobicContact CE1-CG2 3.71Å; Y961-T996 HydrophobicContact CE2-CG2 4.23Å; Y961-T996 HydrophobicContact CG-CG2 3.34Å; Y981-T996 HydrophobicContact CD1-CG2 4.36Å; Y981-T996 HydrophobicContact CE1-CG2 4.26Å; A984-T996 VanDerWaalsContact C-OG1 3.27Å; A984-T996 HydrophobicContact CB-CG2 3.72Å; A985-T996 WeakPolarHBondContact CA-OG1 3.47Å; A985-T996 PolarHBondContact N-OG1 3.22Å; L992-T996 HydrophobicContact CD1-CG2 3.94Å; L992-T996 WeakPolarHBondContact O-CB 3.09Å; L992-T996 WeakPolarHBondContact O-CG2 3.27Å; L992-T996 PolarHBondContact O-N 2.96Å; L992-T996 PolarHBondContact O-OG1 3.34Å; S993-T996 PolarHBondContact O-OG1 3.47Å; T996-L1000 WeakPolarHBondContact O-CB 3.5Å; T996-L1000 PolarHBondContact O-N 2.9Å |
| 997 | S | 95 | Very high | 90.4 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 172.1 | -56.5 | 0 | 0 | 0 | 0 | 111 | S993 V995 E999 L1000 L1001 K1044 | S993-S997 WeakPolarHBondContact O-CB 3.21Å; S993-S997 PolarHBondContact O-N 2.81Å; S993-S997 PolarHBondContact O-OG 3.29Å; V995-S997 PolarHBondContact O-N 2.91Å; S997-E999 PolarHBondContact O-N 3.1Å; S997-L1000 PolarHBondContact O-N 2.82Å; S997-L1001 VanDerWaalsContact O-CB 3.27Å; S997-L1001 WeakPolarHBondContact O-CB 3.42Å; S997-L1001 WeakPolarHBondContact O-CG 3.25Å; S997-L1001 PolarHBondContact O-N 2.93Å; S997-K1044 WeakPolarHBondContact OG-CD 3.23Å; S997-K1044 PolarHBondContact OG-NZ 3.17Å |
| 998 | K | 94.9 | Very high | 89.4 | Confident | 129 Ų | 129 | 50.7 Ų | 50.7 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.1 | -48.8 | 176.7 | 179.7 | -176.7 | 176.4 | -177.3 | 0 | 111.3 | T994 V995 N1002 | T994-K998 WeakPolarHBondContact O-CB 3.44Å; T994-K998 PolarHBondContact O-N 3.21Å; V995-K998 WeakPolarHBondContact O-CB 3.47Å; V995-K998 PolarHBondContact O-N 3.46Å; K998-N1002 WeakPolarHBondContact O-CB 3.36Å; K998-N1002 PolarHBondContact O-N 2.83Å; K998-N1002 PolarHBondContact O-ND2 3.44Å |
| 999 | E | 95.3 | Very high | 88.5 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -41.8 | -179.4 | -66.3 | -49.8 | 118.8 | 0 | 0 | 112.4 | Y981 V995 S997 N1002 Y1003 | Y981-E999 HydrophobicContact CE1-CB 3.99Å; V995-E999 HydrophobicContact CG2-CG 4.36Å; V995-E999 WeakPolarHBondContact O-CG 3.16Å; V995-E999 PolarHBondContact O-N 3.48Å; S997-E999 PolarHBondContact O-N 3.1Å; E999-N1002 PolarHBondContact O-N 3.19Å; E999-Y1003 WeakPolarHBondContact O-CB 3.42Å; E999-Y1003 PolarHBondContact O-N 2.98Å |
| 1000 | L | 94.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 177.1 | -175.9 | 63.5 | 0 | 0 | 0 | 112.2 | L978 Y981 A985 T996 S997 Y1003 F1004 V1041 | L978-L1000 HydrophobicContact CD2-CD1 4.16Å; Y981-L1000 HydrophobicContact CD1-CB 4.24Å; A985-L1000 HydrophobicContact CB-CD2 4.5Å; T996-L1000 WeakPolarHBondContact O-CB 3.5Å; T996-L1000 PolarHBondContact O-N 2.9Å; S997-L1000 PolarHBondContact O-N 2.82Å; L1000-Y1003 WeakPolarHBondContact O-CB 3.43Å; L1000-Y1003 PolarHBondContact O-N 3.45Å; L1000-F1004 HydrophobicContact CD1-CE2 3.75Å; L1000-F1004 HydrophobicContact CD1-CZ 3.89Å; L1000-F1004 HydrophobicContact CD2-CE2 4.27Å; L1000-F1004 HydrophobicContact CG-CD2 4.28Å; L1000-F1004 HydrophobicContact CG-CE2 3.66Å; L1000-F1004 HydrophobicContact CG-CZ 4.31Å; L1000-F1004 VanDerWaalsContact O-CD2 3.24Å; L1000-F1004 WeakPolarHBondContact O-CD2 3.42Å; L1000-F1004 PolarHBondContact O-N 3.17Å; L1000-F1004 VanDerWaalsContact O-N 3.13Å; L1000-V1041 HydrophobicContact CD2-CG1 3.71Å |
| 1001 | L | 91.9 | Very high | 86.7 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 176.3 | -67.4 | 176.3 | 0 | 0 | 0 | 111.7 | S997 Y1003 F1004 R1005 L1045 | S997-L1001 VanDerWaalsContact O-CB 3.27Å; S997-L1001 WeakPolarHBondContact O-CB 3.42Å; S997-L1001 WeakPolarHBondContact O-CG 3.25Å; S997-L1001 PolarHBondContact O-N 2.93Å; L1001-Y1003 VanDerWaalsContact C-N 3.27Å; L1001-Y1003 PolarHBondContact O-N 3.22Å; L1001-F1004 PolarHBondContact O-N 3.4Å; L1001-R1005 WeakPolarHBondContact O-CB 3.43Å; L1001-R1005 PolarHBondContact O-N 2.92Å; L1001-L1045 HydrophobicContact CD2-CB 4.49Å; L1001-L1045 HydrophobicContact CD2-CD1 3.93Å |
| 1002 | N | 90.3 | Very high | 85.9 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 172.6 | -82.5 | -21 | 0 | 0 | 0 | 112 | K998 E999 R1005 K1006 | K998-N1002 WeakPolarHBondContact O-CB 3.36Å; K998-N1002 PolarHBondContact O-N 2.83Å; K998-N1002 PolarHBondContact O-ND2 3.44Å; E999-N1002 PolarHBondContact O-N 3.19Å; N1002-R1005 PolarHBondContact O-N 3.26Å; N1002-R1005 PolarHBondContact OD1-NH1 3.49Å; N1002-K1006 WeakPolarHBondContact O-CG 3.18Å; N1002-K1006 PolarHBondContact O-N 3.37Å |
| 1003 | Y | 89.5 | Confident | 85 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 174.2 | 173.6 | -98.1 | 0 | 0 | 0 | 111.5 | L968 Q974 E999 L1000 L1001 R1005 K1006 M1007 Y1017 | L968-Y1003 HydrophobicContact CB-CD1 4.48Å; L968-Y1003 HydrophobicContact CB-CD2 3.55Å; L968-Y1003 HydrophobicContact CB-CE1 4.35Å; L968-Y1003 HydrophobicContact CB-CE2 3.36Å; L968-Y1003 HydrophobicContact CB-CG 4.1Å; L968-Y1003 HydrophobicContact CD1-CD1 4.35Å; L968-Y1003 HydrophobicContact CD1-CD2 4.03Å; L968-Y1003 HydrophobicContact CD1-CG 3.86Å; L968-Y1003 HydrophobicContact CG-CD2 4.43Å; L968-Y1003 VanDerWaalsContact O-CE2 3.29Å; L968-Y1003 WeakPolarHBondContact O-CE2 3.41Å; L968-Y1003 VanDerWaalsContact O-CZ 3.29Å; L968-Y1003 PolarHBondContact O-OH 3.39Å; Q974-Y1003 PolarHBondContact NE2-OH 3.17Å; E999-Y1003 WeakPolarHBondContact O-CB 3.42Å; E999-Y1003 PolarHBondContact O-N 2.98Å; L1000-Y1003 WeakPolarHBondContact O-CB 3.43Å; L1000-Y1003 PolarHBondContact O-N 3.45Å; L1001-Y1003 VanDerWaalsContact C-N 3.27Å; L1001-Y1003 PolarHBondContact O-N 3.22Å; Y1003-R1005 PolarHBondContact O-N 3.46Å; Y1003-K1006 PolarHBondContact O-N 3.08Å; Y1003-M1007 HydrophobicContact CD1-SD 4.3Å; Y1003-M1007 HydrophobicContact CD2-CE 3.92Å; Y1003-M1007 HydrophobicContact CE1-CE 3.91Å; Y1003-M1007 HydrophobicContact CE1-SD 3.69Å; Y1003-M1007 HydrophobicContact CE2-CE 3.14Å; Y1003-M1007 HydrophobicContact CE2-SD 4.04Å; Y1003-M1007 VanDerWaalsContact CZ-SD 3.56Å; Y1003-M1007 WeakPolarHBondContact O-CG 3.35Å; Y1003-M1007 PolarHBondContact O-N 3.13Å; Y1003-M1007 VanDerWaalsContact OH-CE 3.22Å; Y1003-M1007 WeakPolarHBondContact OH-CE 3.39Å; Y1003-Y1017 WeakPolarHBondContact OH-CD1 3.19Å |
| 1004 | F | 86.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 175.6 | -64.2 | -48.8 | 0 | 0 | 0 | 112.8 | L1000 L1001 K1006 M1007 R1008 F1018 F1021 L1045 F1050 | L1000-F1004 HydrophobicContact CD1-CE2 3.75Å; L1000-F1004 HydrophobicContact CD1-CZ 3.89Å; L1000-F1004 HydrophobicContact CD2-CE2 4.27Å; L1000-F1004 HydrophobicContact CG-CD2 4.28Å; L1000-F1004 HydrophobicContact CG-CE2 3.66Å; L1000-F1004 HydrophobicContact CG-CZ 4.31Å; L1000-F1004 VanDerWaalsContact O-CD2 3.24Å; L1000-F1004 WeakPolarHBondContact O-CD2 3.42Å; L1000-F1004 PolarHBondContact O-N 3.17Å; L1000-F1004 VanDerWaalsContact O-N 3.13Å; L1001-F1004 PolarHBondContact O-N 3.4Å; F1004-K1006 PolarHBondContact O-N 3.39Å; F1004-M1007 PolarHBondContact O-N 3.35Å; F1004-M1007 VanDerWaalsContact O-N 3.11Å; F1004-R1008 PolarHBondContact O-N 3.45Å; F1004-F1018 AromaticContact CD1-CD2 3.93Å; F1004-F1018 HydrophobicContact CD1-CD2 3.93Å; F1004-F1018 HydrophobicContact CD1-CE2 4.39Å; F1004-F1018 AromaticContact CE1-CD2 3.8Å; F1004-F1018 HydrophobicContact CE1-CD2 3.8Å; F1004-F1018 HydrophobicContact CE1-CE2 4.24Å; F1004-F1018 HydrophobicContact CZ-CD2 4.4Å; F1004-F1018 HydrophobicContact CZ-CE2 4.43Å; F1004-F1021 HydrophobicContact CE1-CB 4.22Å; F1004-F1021 HydrophobicContact CE1-CG 4.35Å; F1004-F1021 HydrophobicContact CE2-CD2 4.4Å; F1004-F1021 HydrophobicContact CE2-CE2 4.45Å; F1004-F1021 HydrophobicContact CZ-CB 4.03Å; F1004-F1021 HydrophobicContact CZ-CD1 4.21Å; F1004-F1021 AromaticContact CZ-CD2 3.7Å; F1004-F1021 HydrophobicContact CZ-CD2 3.7Å; F1004-F1021 HydrophobicContact CZ-CE2 4.17Å; F1004-F1021 AromaticContact CZ-CG 3.71Å; F1004-F1021 HydrophobicContact CZ-CG 3.71Å; F1004-L1045 HydrophobicContact CD2-CD1 3.8Å; F1004-L1045 HydrophobicContact CE2-CD1 4.3Å; F1004-L1045 HydrophobicContact CG-CD1 4.46Å; F1004-F1050 HydrophobicContact CB-CD2 4.34Å |
| 1005 | R | 83.7 | Confident | 83.5 | Confident | 120 Ų | 120 | 61.4 Ų | 61.4 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 176 | -177.9 | -174.2 | -79.7 | 144.1 | -13.2 | 111.9 | L1001 N1002 Y1003 M1007 R1008 E1049 | L1001-R1005 WeakPolarHBondContact O-CB 3.43Å; L1001-R1005 PolarHBondContact O-N 2.92Å; N1002-R1005 PolarHBondContact O-N 3.26Å; N1002-R1005 PolarHBondContact OD1-NH1 3.49Å; Y1003-R1005 PolarHBondContact O-N 3.46Å; R1005-M1007 PolarHBondContact O-N 3.44Å; R1005-R1008 VanDerWaalsContact O-CB 3.23Å; R1005-R1008 WeakPolarHBondContact O-CB 3.37Å; R1005-R1008 PolarHBondContact O-N 3.27Å; R1005-E1049 IonicContact CZ-OE1 2.92Å; R1005-E1049 IonicContact CZ-OE2 2.75Å; R1005-E1049 IonicContact NE-OE2 2.63Å; R1005-E1049 PolarHBondContact NE-OE2 3.44Å; R1005-E1049 IonicContact NH2-OE1 3.81Å; R1005-E1049 PolarHBondContact NH2-OE1 3.42Å; R1005-E1049 IonicContact NH2-OE2 3.1Å; R1005-E1049 PolarHBondContact NH2-OE2 2.82Å; R1005-E1049 VanDerWaalsContact NH2-OE2 3.12Å |
| 1006 | K | 82.7 | Confident | 82.7 | Confident | 165 Ų | 165 | 65 Ų | 65 | 72% | 0.717 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.7 | -25 | 177.9 | -75.4 | 173.5 | -177.7 | 175.4 | 0 | 113.1 | N1002 Y1003 F1004 | N1002-K1006 WeakPolarHBondContact O-CG 3.18Å; N1002-K1006 PolarHBondContact O-N 3.37Å; Y1003-K1006 PolarHBondContact O-N 3.08Å; F1004-K1006 PolarHBondContact O-N 3.39Å |
| 1007 | M | 76.3 | Confident | 82 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -92.4 | -12.1 | -178.2 | -64.4 | -177.1 | 168.1 | 0 | 0 | 113.8 | Y1003 F1004 R1005 S1009 I1010 Y1017 | Y1003-M1007 HydrophobicContact CD1-SD 4.3Å; Y1003-M1007 HydrophobicContact CD2-CE 3.92Å; Y1003-M1007 HydrophobicContact CE1-CE 3.91Å; Y1003-M1007 HydrophobicContact CE1-SD 3.69Å; Y1003-M1007 HydrophobicContact CE2-CE 3.14Å; Y1003-M1007 HydrophobicContact CE2-SD 4.04Å; Y1003-M1007 VanDerWaalsContact CZ-SD 3.56Å; Y1003-M1007 WeakPolarHBondContact O-CG 3.35Å; Y1003-M1007 PolarHBondContact O-N 3.13Å; Y1003-M1007 VanDerWaalsContact OH-CE 3.22Å; Y1003-M1007 WeakPolarHBondContact OH-CE 3.39Å; F1004-M1007 PolarHBondContact O-N 3.35Å; F1004-M1007 VanDerWaalsContact O-N 3.11Å; R1005-M1007 PolarHBondContact O-N 3.44Å; M1007-S1009 PolarHBondContact O-N 3.39Å; M1007-S1009 VanDerWaalsContact O-N 3.13Å; M1007-I1010 PolarHBondContact O-N 3.48Å; M1007-I1010 VanDerWaalsContact O-N 3.13Å; M1007-Y1017 HydrophobicContact CE-CD1 4.43Å; M1007-Y1017 HydrophobicContact CE-CD2 3.34Å; M1007-Y1017 HydrophobicContact CE-CE2 3.71Å; M1007-Y1017 HydrophobicContact CE-CG 3.76Å; M1007-Y1017 VanDerWaalsContact SD-CB 3.57Å; M1007-Y1017 HydrophobicContact SD-CD2 3.41Å; M1007-Y1017 WeakPolarHBondContact SD-CD2 3.32Å; M1007-Y1017 HydrophobicContact SD-CE2 4.32Å; M1007-Y1017 HydrophobicContact SD-CG 3.7Å |
| 1008 | R | 70.5 | Confident | 81.6 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.2 | -176.7 | -172.6 | 177.4 | 172.7 | -170.5 | -3.8 | 113.6 | F1004 R1005 E1049 D1052 L1055 | F1004-R1008 PolarHBondContact O-N 3.45Å; R1005-R1008 VanDerWaalsContact O-CB 3.23Å; R1005-R1008 WeakPolarHBondContact O-CB 3.37Å; R1005-R1008 PolarHBondContact O-N 3.27Å; R1008-E1049 PolarHBondContact NH1-O 3.49Å; R1008-D1052 IonicContact CZ-OD2 2.77Å; R1008-D1052 IonicContact NH1-OD2 3.4Å; R1008-D1052 PolarHBondContact NH1-OD2 3.39Å; R1008-D1052 VanDerWaalsContact NH2-CG 3.28Å; R1008-D1052 IonicContact NH2-OD2 3.92Å; R1008-D1052 PolarHBondContact NH2-OD2 2.85Å; R1008-L1055 HydrophobicContact CG-CD1 4.06Å; R1008-L1055 HydrophobicContact CG-CD2 4.1Å |
| 1009 | S | 67.7 | Low | 81.3 | Confident | 104 Ų | 104 | 62.7 Ų | 62.7 | 73% | 0.727 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15 | -176.8 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | M1007 | M1007-S1009 PolarHBondContact O-N 3.39Å; M1007-S1009 VanDerWaalsContact O-N 3.13Å |
| 1010 | I | 69.7 | Low | 81.2 | Confident | 58 Ų | 58 | 64.2 Ų | 64.2 | 30% | 0.297 | 30% | 0.296 | S | S | . | . | trans | -121 | 95.1 | -172.5 | -55.2 | 171.5 | 0 | 0 | 0 | 109.5 | M1007 W1012 K1013 L1014 | M1007-I1010 PolarHBondContact O-N 3.48Å; M1007-I1010 VanDerWaalsContact O-N 3.13Å; I1010-W1012 VanDerWaalsContact C-N 3.33Å; I1010-W1012 HydrophobicContact CG2-CD2 4.31Å; I1010-W1012 HydrophobicContact CG2-CG 4.17Å; I1010-W1012 HydrophobicContact CG2-CZ2 4.48Å; I1010-W1012 VanDerWaalsContact CG2-NE1 3.31Å; I1010-W1012 PolarHBondContact O-N 3.46Å; I1010-K1013 HydrophobicContact CB-CB 4.11Å; I1010-K1013 HydrophobicContact CB-CD 4.33Å; I1010-K1013 HydrophobicContact CB-CG 4.36Å; I1010-K1013 HydrophobicContact CD1-CD 3.94Å; I1010-K1013 HydrophobicContact CG2-CB 3.89Å; I1010-K1013 HydrophobicContact CG2-CD 4.03Å; I1010-K1013 HydrophobicContact CG2-CG 3.77Å; I1010-K1013 PolarHBondContact O-N 3.48Å; I1010-K1013 VanDerWaalsContact O-N 3.13Å; I1010-L1014 PolarHBondContact O-N 3.08Å | ||
| 1011 | Q | 68.5 | Low | 81.2 | Confident | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.593 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -54.7 | -39.6 | -171.9 | -72 | -169 | -14.1 | 0 | 0 | 114.8 | K1015 | Q1011-K1015 PolarHBondContact O-N 3.2Å |
| 1012 | W | 73.8 | Confident | 81.3 | Confident | 165 Ų | 165 | 62.2 Ų | 62.2 | 63% | 0.625 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -71.9 | -37.7 | -180 | 70.3 | -98.5 | 0 | 0 | 0 | 112.6 | I1010 K1015 E1016 | I1010-W1012 VanDerWaalsContact C-N 3.33Å; I1010-W1012 HydrophobicContact CG2-CD2 4.31Å; I1010-W1012 HydrophobicContact CG2-CG 4.17Å; I1010-W1012 HydrophobicContact CG2-CZ2 4.48Å; I1010-W1012 VanDerWaalsContact CG2-NE1 3.31Å; I1010-W1012 PolarHBondContact O-N 3.46Å; W1012-K1015 WeakPolarHBondContact O-CB 3.31Å; W1012-K1015 PolarHBondContact O-N 2.72Å; W1012-E1016 PolarHBondContact O-N 3.44Å |
| 1013 | K | 73.6 | Confident | 81.5 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 173.6 | -77.1 | -172 | -179.8 | -178.8 | 0 | 110.5 | I1010 K1015 E1016 Y1017 | I1010-K1013 HydrophobicContact CB-CB 4.11Å; I1010-K1013 HydrophobicContact CB-CD 4.33Å; I1010-K1013 HydrophobicContact CB-CG 4.36Å; I1010-K1013 HydrophobicContact CD1-CD 3.94Å; I1010-K1013 HydrophobicContact CG2-CB 3.89Å; I1010-K1013 HydrophobicContact CG2-CD 4.03Å; I1010-K1013 HydrophobicContact CG2-CG 3.77Å; I1010-K1013 PolarHBondContact O-N 3.48Å; I1010-K1013 VanDerWaalsContact O-N 3.13Å; K1013-K1015 PolarHBondContact O-N 3.18Å; K1013-E1016 PolarHBondContact O-N 3.37Å; K1013-Y1017 HydrophobicContact CB-CD2 3.91Å; K1013-Y1017 HydrophobicContact CB-CE2 3.92Å; K1013-Y1017 HydrophobicContact CD-CE2 4.24Å; K1013-Y1017 HydrophobicContact CG-CD2 4.47Å; K1013-Y1017 HydrophobicContact CG-CE2 3.97Å; K1013-Y1017 WeakPolarHBondContact O-CB 3.45Å; K1013-Y1017 WeakPolarHBondContact O-CD2 3.42Å; K1013-Y1017 PolarHBondContact O-N 3.21Å |
| 1014 | L | 76.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56 | -42.1 | 174.1 | -179 | 66.2 | 0 | 0 | 0 | 110.6 | I1010 F1018 F1050 L1059 H1060 Y1063 | I1010-L1014 PolarHBondContact O-N 3.08Å; L1014-F1018 HydrophobicContact CD1-CB 4.11Å; L1014-F1018 WeakPolarHBondContact O-CB 3.48Å; L1014-F1018 PolarHBondContact O-N 3.28Å; L1014-F1050 HydrophobicContact CD1-CE2 3.91Å; L1014-F1050 HydrophobicContact CD1-CZ 4.35Å; L1014-L1059 HydrophobicContact CD2-CD2 4.22Å; L1014-H1060 WeakPolarHBondContact CD2-NE2 3.39Å; L1014-Y1063 HydrophobicContact CD2-CE2 4.45Å; L1014-Y1063 HydrophobicContact CG-CE2 4.28Å |
| 1015 | K | 80 | Confident | 82.2 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.9 | -56.1 | 174.3 | -170.4 | 179.7 | 178.8 | -177.5 | 0 | 112.6 | Q1011 W1012 K1013 Y1017 E1019 L1059 Y1063 | Q1011-K1015 PolarHBondContact O-N 3.2Å; W1012-K1015 WeakPolarHBondContact O-CB 3.31Å; W1012-K1015 PolarHBondContact O-N 2.72Å; K1013-K1015 PolarHBondContact O-N 3.18Å; K1015-Y1017 PolarHBondContact O-N 3.18Å; K1015-E1019 HydrophobicContact CG-CG 4.4Å; K1015-E1019 WeakPolarHBondContact O-CB 3.42Å; K1015-E1019 WeakPolarHBondContact O-CG 3.13Å; K1015-E1019 PolarHBondContact O-N 3.48Å; K1015-L1059 HydrophobicContact CB-CD2 4.43Å; K1015-L1059 HydrophobicContact CD-CD1 4.33Å; K1015-L1059 HydrophobicContact CG-CD1 4.33Å; K1015-Y1063 VanDerWaalsContact CA-OH 3.29Å; K1015-Y1063 WeakPolarHBondContact CA-OH 3.17Å |
| 1016 | E | 78.8 | Confident | 82.8 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | -178.1 | -172.9 | 179 | -179 | 0 | 0 | 112.9 | W1012 K1013 N1020 | W1012-E1016 PolarHBondContact O-N 3.44Å; K1013-E1016 PolarHBondContact O-N 3.37Å; E1016-N1020 PolarHBondContact O-N 2.97Å |
| 1017 | Y | 81.7 | Confident | 83.3 | Confident | 33 Ų | 33 | 55 Ų | 55 | 13% | 0.129 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -82.6 | -35.6 | -170.6 | -63.8 | -58 | 0 | 0 | 0 | 113.8 | Y1003 M1007 K1013 K1015 E1019 N1020 F1021 | Y1003-Y1017 WeakPolarHBondContact OH-CD1 3.19Å; M1007-Y1017 HydrophobicContact CE-CD1 4.43Å; M1007-Y1017 HydrophobicContact CE-CD2 3.34Å; M1007-Y1017 HydrophobicContact CE-CE2 3.71Å; M1007-Y1017 HydrophobicContact CE-CG 3.76Å; M1007-Y1017 VanDerWaalsContact SD-CB 3.57Å; M1007-Y1017 HydrophobicContact SD-CD2 3.41Å; M1007-Y1017 WeakPolarHBondContact SD-CD2 3.32Å; M1007-Y1017 HydrophobicContact SD-CE2 4.32Å; M1007-Y1017 HydrophobicContact SD-CG 3.7Å; K1013-Y1017 HydrophobicContact CB-CD2 3.91Å; K1013-Y1017 HydrophobicContact CB-CE2 3.92Å; K1013-Y1017 HydrophobicContact CD-CE2 4.24Å; K1013-Y1017 HydrophobicContact CG-CD2 4.47Å; K1013-Y1017 HydrophobicContact CG-CE2 3.97Å; K1013-Y1017 WeakPolarHBondContact O-CB 3.45Å; K1013-Y1017 WeakPolarHBondContact O-CD2 3.42Å; K1013-Y1017 PolarHBondContact O-N 3.21Å; K1015-Y1017 PolarHBondContact O-N 3.18Å; Y1017-E1019 VanDerWaalsContact C-N 3.34Å; Y1017-N1020 PolarHBondContact O-N 3.11Å; Y1017-F1021 PolarHBondContact O-N 2.75Å |
| 1018 | F | 87.1 | Confident | 84 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.1 | -30.8 | 176.5 | -160.9 | -97.6 | 0 | 0 | 0 | 111.5 | F1004 L1014 N1020 F1021 L1022 L1045 F1050 Y1063 I1067 | F1004-F1018 AromaticContact CD1-CD2 3.93Å; F1004-F1018 HydrophobicContact CD1-CD2 3.93Å; F1004-F1018 HydrophobicContact CD1-CE2 4.39Å; F1004-F1018 AromaticContact CE1-CD2 3.8Å; F1004-F1018 HydrophobicContact CE1-CD2 3.8Å; F1004-F1018 HydrophobicContact CE1-CE2 4.24Å; F1004-F1018 HydrophobicContact CZ-CD2 4.4Å; F1004-F1018 HydrophobicContact CZ-CE2 4.43Å; L1014-F1018 HydrophobicContact CD1-CB 4.11Å; L1014-F1018 WeakPolarHBondContact O-CB 3.48Å; L1014-F1018 PolarHBondContact O-N 3.28Å; F1018-N1020 VanDerWaalsContact C-N 3.33Å; F1018-N1020 PolarHBondContact O-N 3.03Å; F1018-F1021 HydrophobicContact CD2-CD1 4.34Å; F1018-F1021 HydrophobicContact CE1-CD1 4.46Å; F1018-F1021 AromaticContact CE2-CD1 3.91Å; F1018-F1021 HydrophobicContact CE2-CD1 3.91Å; F1018-F1021 HydrophobicContact CE2-CE1 4.28Å; F1018-F1021 AromaticContact CZ-CD1 3.98Å; F1018-F1021 HydrophobicContact CZ-CD1 3.98Å; F1018-F1021 HydrophobicContact CZ-CE1 4.17Å; F1018-F1021 WeakPolarHBondContact O-CB 3.46Å; F1018-F1021 PolarHBondContact O-N 3.04Å; F1018-L1022 HydrophobicContact CD1-CD1 3.82Å; F1018-L1022 HydrophobicContact CD1-CG 3.93Å; F1018-L1022 HydrophobicContact CE1-CD1 3.71Å; F1018-L1022 HydrophobicContact CE1-CD2 3.9Å; F1018-L1022 HydrophobicContact CE1-CG 3.73Å; F1018-L1022 HydrophobicContact CZ-CD2 4.42Å; F1018-L1022 PolarHBondContact O-N 3.34Å; F1018-L1045 HydrophobicContact CE2-CD2 3.66Å; F1018-L1045 HydrophobicContact CZ-CD2 3.61Å; F1018-F1050 HydrophobicContact CD2-CE2 4.12Å; F1018-F1050 AromaticContact CD2-CZ 3.78Å; F1018-F1050 HydrophobicContact CD2-CZ 3.78Å; F1018-F1050 HydrophobicContact CE1-CZ 4.27Å; F1018-F1050 AromaticContact CE2-CE1 3.94Å; F1018-F1050 HydrophobicContact CE2-CE1 3.94Å; F1018-F1050 AromaticContact CE2-CE2 3.99Å; F1018-F1050 HydrophobicContact CE2-CE2 3.99Å; F1018-F1050 AromaticContact CE2-CZ 3.44Å; F1018-F1050 HydrophobicContact CE2-CZ 3.44Å; F1018-F1050 VanDerWaalsContact CE2-CZ 3.44Å; F1018-F1050 HydrophobicContact CG-CZ 4.32Å; F1018-F1050 AromaticContact CZ-CE1 3.86Å; F1018-F1050 HydrophobicContact CZ-CE1 3.86Å; F1018-F1050 AromaticContact CZ-CZ 3.73Å; F1018-F1050 HydrophobicContact CZ-CZ 3.73Å; F1018-Y1063 HydrophobicContact CB-CE2 4.25Å; F1018-Y1063 AromaticContact CD1-CD1 3.82Å; F1018-Y1063 HydrophobicContact CD1-CD1 3.82Å; F1018-Y1063 AromaticContact CD1-CD2 3.5Å; F1018-Y1063 HydrophobicContact CD1-CD2 3.5Å; F1018-Y1063 VanDerWaalsContact CD1-CD2 3.5Å; F1018-Y1063 HydrophobicContact CD1-CE1 4.09Å; F1018-Y1063 AromaticContact CD1-CE2 3.77Å; F1018-Y1063 HydrophobicContact CD1-CE2 3.77Å; F1018-Y1063 AromaticContact CD1-CG 3.54Å; F1018-Y1063 HydrophobicContact CD1-CG 3.54Å; F1018-Y1063 HydrophobicContact CE1-CD1 4.12Å; F1018-Y1063 AromaticContact CE1-CD2 3.83Å; F1018-Y1063 HydrophobicContact CE1-CD2 3.83Å; F1018-Y1063 AromaticContact CE1-CG 3.6Å; F1018-Y1063 HydrophobicContact CE1-CG 3.6Å; F1018-Y1063 HydrophobicContact CG-CD2 4.24Å; F1018-Y1063 HydrophobicContact CG-CE2 4.24Å; F1018-I1067 HydrophobicContact CZ-CD1 4.34Å |
| 1019 | E | 89.5 | Confident | 85 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 171.5 | -75.2 | -66.5 | 173.5 | 0 | 0 | 112 | K1015 Y1017 F1021 L1022 Q1023 R1066 | K1015-E1019 HydrophobicContact CG-CG 4.4Å; K1015-E1019 WeakPolarHBondContact O-CB 3.42Å; K1015-E1019 WeakPolarHBondContact O-CG 3.13Å; K1015-E1019 PolarHBondContact O-N 3.48Å; Y1017-E1019 VanDerWaalsContact C-N 3.34Å; E1019-F1021 VanDerWaalsContact C-N 3.31Å; E1019-F1021 PolarHBondContact O-N 3.31Å; E1019-L1022 PolarHBondContact O-N 3.29Å; E1019-Q1023 WeakPolarHBondContact O-CB 3.31Å; E1019-Q1023 PolarHBondContact O-N 3.47Å; E1019-R1066 IonicContact OE1-NH1 3.78Å; E1019-R1066 PolarHBondContact OE1-NH1 3.17Å; E1019-R1066 IonicContact OE2-CZ 2.74Å; E1019-R1066 VanDerWaalsContact OE2-CZ 3.24Å; E1019-R1066 IonicContact OE2-NH1 3.43Å; E1019-R1066 PolarHBondContact OE2-NH1 3.41Å; E1019-R1066 IonicContact OE2-NH2 3.56Å; E1019-R1066 PolarHBondContact OE2-NH2 3.04Å |
| 1020 | N | 92.1 | Very high | 86 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 174.3 | -72.1 | -20.4 | 0 | 0 | 0 | 112.3 | Q974 L978 E1016 Y1017 F1018 Q1023 V1024 | Q974-N1020 PolarHBondContact OE1-ND2 3.18Å; L978-N1020 HydrophobicContact CD1-CB 3.88Å; E1016-N1020 PolarHBondContact O-N 2.97Å; Y1017-N1020 PolarHBondContact O-N 3.11Å; F1018-N1020 VanDerWaalsContact C-N 3.33Å; F1018-N1020 PolarHBondContact O-N 3.03Å; N1020-Q1023 PolarHBondContact O-N 3.25Å; N1020-V1024 WeakPolarHBondContact O-CG2 3.48Å; N1020-V1024 PolarHBondContact O-N 2.95Å |
| 1021 | F | 94.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 173.6 | 167.5 | -100.7 | 0 | 0 | 0 | 111.8 | L978 I982 F1004 Y1017 F1018 E1019 Q1023 V1024 C1025 V1041 L1042 L1045 | L978-F1021 HydrophobicContact CD1-CB 4.3Å; L978-F1021 HydrophobicContact CD2-CB 4.26Å; L978-F1021 HydrophobicContact CD2-CD2 4.35Å; I982-F1021 HydrophobicContact CD1-CD2 3.84Å; I982-F1021 HydrophobicContact CD1-CE2 3.78Å; I982-F1021 HydrophobicContact CG1-CD2 4.15Å; I982-F1021 HydrophobicContact CG1-CE2 3.74Å; F1004-F1021 HydrophobicContact CE1-CB 4.22Å; F1004-F1021 HydrophobicContact CE1-CG 4.35Å; F1004-F1021 HydrophobicContact CE2-CD2 4.4Å; F1004-F1021 HydrophobicContact CE2-CE2 4.45Å; F1004-F1021 HydrophobicContact CZ-CB 4.03Å; F1004-F1021 HydrophobicContact CZ-CD1 4.21Å; F1004-F1021 AromaticContact CZ-CD2 3.7Å; F1004-F1021 HydrophobicContact CZ-CD2 3.7Å; F1004-F1021 HydrophobicContact CZ-CE2 4.17Å; F1004-F1021 AromaticContact CZ-CG 3.71Å; F1004-F1021 HydrophobicContact CZ-CG 3.71Å; Y1017-F1021 PolarHBondContact O-N 2.75Å; F1018-F1021 HydrophobicContact CD2-CD1 4.34Å; F1018-F1021 HydrophobicContact CE1-CD1 4.46Å; F1018-F1021 AromaticContact CE2-CD1 3.91Å; F1018-F1021 HydrophobicContact CE2-CD1 3.91Å; F1018-F1021 HydrophobicContact CE2-CE1 4.28Å; F1018-F1021 AromaticContact CZ-CD1 3.98Å; F1018-F1021 HydrophobicContact CZ-CD1 3.98Å; F1018-F1021 HydrophobicContact CZ-CE1 4.17Å; F1018-F1021 WeakPolarHBondContact O-CB 3.46Å; F1018-F1021 PolarHBondContact O-N 3.04Å; E1019-F1021 VanDerWaalsContact C-N 3.31Å; E1019-F1021 PolarHBondContact O-N 3.31Å; F1021-Q1023 VanDerWaalsContact C-N 3.28Å; F1021-Q1023 PolarHBondContact O-N 2.8Å; F1021-V1024 PolarHBondContact O-N 3.16Å; F1021-C1025 PolarHBondContact O-N 2.95Å; F1021-C1025 PolarHBondContact O-SG 3.41Å; F1021-C1025 VanDerWaalsContact O-SG 3.41Å; F1021-V1041 HydrophobicContact CE2-CG1 4.03Å; F1021-V1041 HydrophobicContact CZ-CG1 4.09Å; F1021-L1042 HydrophobicContact CE1-CD2 3.98Å; F1021-L1042 HydrophobicContact CZ-CD2 3.96Å; F1021-L1045 HydrophobicContact CE1-CD2 4.26Å |
| 1022 | L | 93.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 177.3 | -66.9 | 179.2 | 0 | 0 | 0 | 112.1 | F1018 E1019 C1025 S1026 Y1063 R1066 I1067 L1070 | F1018-L1022 HydrophobicContact CD1-CD1 3.82Å; F1018-L1022 HydrophobicContact CD1-CG 3.93Å; F1018-L1022 HydrophobicContact CE1-CD1 3.71Å; F1018-L1022 HydrophobicContact CE1-CD2 3.9Å; F1018-L1022 HydrophobicContact CE1-CG 3.73Å; F1018-L1022 HydrophobicContact CZ-CD2 4.42Å; F1018-L1022 PolarHBondContact O-N 3.34Å; E1019-L1022 PolarHBondContact O-N 3.29Å; L1022-C1025 PolarHBondContact O-N 2.97Å; L1022-S1026 WeakPolarHBondContact O-CB 3.37Å; L1022-S1026 PolarHBondContact O-N 3.01Å; L1022-Y1063 HydrophobicContact CD1-CD1 3.81Å; L1022-Y1063 HydrophobicContact CD1-CE1 4.39Å; L1022-Y1063 HydrophobicContact CD1-CG 4.48Å; L1022-R1066 HydrophobicContact CD1-CB 4.17Å; L1022-R1066 VanDerWaalsContact CD1-CZ 3.42Å; L1022-I1067 HydrophobicContact CD2-CG1 4.34Å; L1022-L1070 HydrophobicContact CD2-CD1 3.77Å |
| 1023 | Q | 94.9 | Very high | 88.1 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 175.2 | -171.8 | 63.2 | 48.3 | 0 | 0 | 111 | Y975 E1019 N1020 F1021 C1025 S1026 D1027 | Y975-Q1023 HydrophobicContact CE2-CG 4.41Å; E1019-Q1023 WeakPolarHBondContact O-CB 3.31Å; E1019-Q1023 PolarHBondContact O-N 3.47Å; N1020-Q1023 PolarHBondContact O-N 3.25Å; F1021-Q1023 VanDerWaalsContact C-N 3.28Å; F1021-Q1023 PolarHBondContact O-N 2.8Å; Q1023-C1025 VanDerWaalsContact C-N 3.33Å; Q1023-C1025 PolarHBondContact O-N 2.63Å; Q1023-S1026 WeakPolarHBondContact O-CB 3.43Å; Q1023-S1026 PolarHBondContact O-N 3.1Å; Q1023-S1026 VanDerWaalsContact O-N 3.17Å; Q1023-D1027 PolarHBondContact NE2-OD1 3.12Å; Q1023-D1027 WeakPolarHBondContact O-CB 3.32Å; Q1023-D1027 PolarHBondContact O-N 3.38Å |
| 1024 | V | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 174.9 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | Y975 L978 F979 I982 N1020 F1021 S1026 D1027 Y1028 F1034 | Y975-V1024 HydrophobicContact CD1-CG2 4.28Å; Y975-V1024 HydrophobicContact CD2-CG2 3.51Å; Y975-V1024 HydrophobicContact CE1-CG2 4.23Å; Y975-V1024 HydrophobicContact CE2-CB 4.44Å; Y975-V1024 HydrophobicContact CE2-CG2 3.49Å; Y975-V1024 VanDerWaalsContact CE2-CG2 3.49Å; Y975-V1024 HydrophobicContact CG-CG2 3.93Å; L978-V1024 HydrophobicContact CB-CG2 4.17Å; F979-V1024 HydrophobicContact CB-CG1 3.97Å; F979-V1024 HydrophobicContact CD2-CG1 4.26Å; I982-V1024 HydrophobicContact CD1-CB 4.17Å; I982-V1024 HydrophobicContact CD1-CG1 3.69Å; N1020-V1024 WeakPolarHBondContact O-CG2 3.48Å; N1020-V1024 PolarHBondContact O-N 2.95Å; F1021-V1024 PolarHBondContact O-N 3.16Å; V1024-S1026 VanDerWaalsContact C-N 3.32Å; V1024-S1026 PolarHBondContact O-N 3.12Å; V1024-D1027 PolarHBondContact O-N 3.24Å; V1024-Y1028 HydrophobicContact CG1-CD2 4.16Å; V1024-Y1028 HydrophobicContact CG1-CE2 4.48Å; V1024-Y1028 WeakPolarHBondContact O-CD2 3.43Å; V1024-Y1028 PolarHBondContact O-N 3.29Å; V1024-F1034 HydrophobicContact CG1-CZ 4.23Å |
| 1025 | C | 96.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 176.1 | -69 | 0 | 0 | 0 | 0 | 112.2 | F1021 L1022 Q1023 S1029 M1038 L1070 | F1021-C1025 PolarHBondContact O-N 2.95Å; F1021-C1025 PolarHBondContact O-SG 3.41Å; F1021-C1025 VanDerWaalsContact O-SG 3.41Å; L1022-C1025 PolarHBondContact O-N 2.97Å; Q1023-C1025 VanDerWaalsContact C-N 3.33Å; Q1023-C1025 PolarHBondContact O-N 2.63Å; C1025-S1029 WeakPolarHBondContact O-CA 3.32Å; C1025-S1029 VanDerWaalsContact O-CB 3.28Å; C1025-S1029 WeakPolarHBondContact O-CB 3.3Å; C1025-S1029 PolarHBondContact O-N 3.44Å; C1025-M1038 HydrophobicContact CB-CG 4.16Å; C1025-M1038 HydrophobicContact CB-SD 3.7Å; C1025-L1070 HydrophobicContact CB-CD1 3.69Å; C1025-L1070 HydrophobicContact CB-CD2 4.13Å |
| 1026 | S | 95.1 | Very high | 90.2 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 38% | 0.378 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.1 | -49.2 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | L1022 Q1023 V1024 Y1028 S1029 | L1022-S1026 WeakPolarHBondContact O-CB 3.37Å; L1022-S1026 PolarHBondContact O-N 3.01Å; Q1023-S1026 WeakPolarHBondContact O-CB 3.43Å; Q1023-S1026 PolarHBondContact O-N 3.1Å; Q1023-S1026 VanDerWaalsContact O-N 3.17Å; V1024-S1026 VanDerWaalsContact C-N 3.32Å; V1024-S1026 PolarHBondContact O-N 3.12Å; S1026-Y1028 PolarHBondContact O-N 3.49Å; S1026-S1029 PolarHBondContact O-N 2.99Å; S1026-S1029 PolarHBondContact O-OG 2.96Å |
| 1027 | D | 94.3 | Very high | 90.9 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 31% | 0.305 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.6 | -29.2 | -178 | -70.1 | -16 | 0 | 0 | 0 | 112.7 | Y975 Q1023 V1024 H1030 | Y975-D1027 WeakPolarHBondContact CE2-OD2 3.38Å; Y975-D1027 WeakPolarHBondContact OH-CB 3.25Å; Y975-D1027 PolarHBondContact OH-OD2 3.13Å; Q1023-D1027 PolarHBondContact NE2-OD1 3.12Å; Q1023-D1027 WeakPolarHBondContact O-CB 3.32Å; Q1023-D1027 PolarHBondContact O-N 3.38Å; V1024-D1027 PolarHBondContact O-N 3.24Å; D1027-H1030 PolarHBondContact O-CE1 3.46Å |
| 1028 | Y | 91.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 37 Ų | 37 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -110 | -0.4 | -178.3 | -66.6 | -84.9 | 0 | 0 | 0 | 114.8 | Y975 F979 V1024 S1026 H1030 F1031 W1033 F1034 | Y975-Y1028 HydrophobicContact CE1-CE2 4.28Å; Y975-Y1028 WeakPolarHBondContact OH-CE2 3.36Å; F979-Y1028 AromaticContact CD2-CD2 3.92Å; F979-Y1028 HydrophobicContact CD2-CD2 3.92Å; F979-Y1028 HydrophobicContact CD2-CE1 4.36Å; F979-Y1028 AromaticContact CD2-CE2 3.62Å; F979-Y1028 HydrophobicContact CD2-CE2 3.62Å; F979-Y1028 HydrophobicContact CD2-CG 4.42Å; F979-Y1028 AromaticContact CD2-CZ 3.87Å; F979-Y1028 AromaticContact CE2-CD1 3.96Å; F979-Y1028 HydrophobicContact CE2-CD1 3.96Å; F979-Y1028 HydrophobicContact CE2-CD2 4.05Å; F979-Y1028 AromaticContact CE2-CE1 3.66Å; F979-Y1028 HydrophobicContact CE2-CE1 3.66Å; F979-Y1028 AromaticContact CE2-CE2 3.78Å; F979-Y1028 HydrophobicContact CE2-CE2 3.78Å; F979-Y1028 HydrophobicContact CE2-CG 4.14Å; F979-Y1028 AromaticContact CE2-CZ 3.58Å; F979-Y1028 HydrophobicContact CZ-CE1 4.35Å; V1024-Y1028 HydrophobicContact CG1-CD2 4.16Å; V1024-Y1028 HydrophobicContact CG1-CE2 4.48Å; V1024-Y1028 WeakPolarHBondContact O-CD2 3.43Å; V1024-Y1028 PolarHBondContact O-N 3.29Å; S1026-Y1028 PolarHBondContact O-N 3.49Å; Y1028-H1030 PolarHBondContact O-N 3.16Å; Y1028-H1030 VanDerWaalsContact O-N 3.11Å; Y1028-F1031 AromaticContact CD1-CD2 3.9Å; Y1028-F1031 HydrophobicContact CD1-CD2 3.9Å; Y1028-F1031 HydrophobicContact CD1-CE2 4.04Å; Y1028-F1031 PolarHBondContact O-N 2.93Å; Y1028-W1033 HydrophobicContact CD1-CH2 4.05Å; Y1028-W1033 HydrophobicContact CD1-CZ2 4.07Å; Y1028-W1033 HydrophobicContact CE1-CH2 4.39Å; Y1028-W1033 HydrophobicContact CE1-CZ2 4.42Å; Y1028-F1034 HydrophobicContact CG-CD2 4.41Å; Y1028-F1034 HydrophobicContact CG-CE2 4.49Å; Y1028-F1034 HydrophobicContact CG-CG 4.45Å |
| 1029 | S | 90.4 | Very high | 92 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -30.3 | -175.2 | 57.7 | 0 | 0 | 0 | 0 | 114.9 | C1025 S1026 W1075 | C1025-S1029 WeakPolarHBondContact O-CA 3.32Å; C1025-S1029 VanDerWaalsContact O-CB 3.28Å; C1025-S1029 WeakPolarHBondContact O-CB 3.3Å; C1025-S1029 PolarHBondContact O-N 3.44Å; S1026-S1029 PolarHBondContact O-N 2.99Å; S1026-S1029 PolarHBondContact O-OG 2.96Å; S1029-W1075 PolarHBondContact O-N 3.14Å |
| 1030 | H | 88.5 | Confident | 92.2 | Very high | 113 Ų | 113 | 37.8 Ų | 37.8 | 52% | 0.523 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.3 | -178.2 | 50.8 | -84.6 | 0 | 0 | 0 | 113.5 | D1027 Y1028 | D1027-H1030 PolarHBondContact O-CE1 3.46Å; Y1028-H1030 PolarHBondContact O-N 3.16Å; Y1028-H1030 VanDerWaalsContact O-N 3.11Å |
| 1031 | F | 86.2 | Confident | 92.4 | Very high | 84 Ų | 84 | 35.5 Ų | 35.5 | 37% | 0.368 | 17% | 0.168 | S | C | . | . | trans | -85.7 | 120.9 | 178 | -68.2 | -84.5 | 0 | 0 | 0 | 111.7 | Y1028 W1033 F1034 A1035 | Y1028-F1031 AromaticContact CD1-CD2 3.9Å; Y1028-F1031 HydrophobicContact CD1-CD2 3.9Å; Y1028-F1031 HydrophobicContact CD1-CE2 4.04Å; Y1028-F1031 PolarHBondContact O-N 2.93Å; F1031-W1033 HydrophobicContact CB-CD2 4.49Å; F1031-W1033 HydrophobicContact CB-CZ2 4.4Å; F1031-W1033 AromaticContact CD1-NE1 3.65Å; F1031-W1033 HydrophobicContact CG-CZ2 4.42Å; F1031-W1033 AromaticContact CG-NE1 3.85Å; F1031-W1033 PolarHBondContact O-N 2.78Å; F1031-F1034 HydrophobicContact CB-CB 4.26Å; F1031-F1034 PolarHBondContact O-N 2.9Å; F1031-A1035 PolarHBondContact O-N 3.46Å | ||
| 1032 | K | 85 | Confident | 92.5 | Very high | 109 Ų | 109 | 35.4 Ų | 35.4 | 47% | 0.474 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -46.1 | -41.4 | 176.5 | 177.8 | 170.6 | -173.8 | 153.9 | 0 | 114 | F1034 W1075 E1077 | K1032-F1034 VanDerWaalsContact C-N 3.34Å; K1032-W1075 HydrophobicContact CB-CD2 3.99Å; K1032-W1075 HydrophobicContact CB-CG 4.28Å; K1032-W1075 HydrophobicContact CB-CH2 4.48Å; K1032-W1075 HydrophobicContact CB-CZ2 3.9Å; K1032-W1075 HydrophobicContact CD-CH2 3.69Å; K1032-W1075 HydrophobicContact CD-CZ2 3.32Å; K1032-W1075 VanDerWaalsContact CE-CH2 3.47Å; K1032-W1075 HydrophobicContact CG-CD2 4.12Å; K1032-W1075 HydrophobicContact CG-CE3 4.34Å; K1032-W1075 HydrophobicContact CG-CH2 3.63Å; K1032-W1075 HydrophobicContact CG-CZ2 3.42Å; K1032-W1075 VanDerWaalsContact CG-CZ2 3.42Å; K1032-W1075 HydrophobicContact CG-CZ3 4.14Å; K1032-E1077 IonicContact NZ-OE2 3.32Å; K1032-E1077 PolarHBondContact NZ-OE2 2.78Å |
| 1033 | W | 84.9 | Confident | 92.5 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -77.7 | -18.1 | -174.6 | 60.8 | -99.7 | 0 | 0 | 0 | 114 | K854 R856 F979 I983 Y1028 F1031 | K854-W1033 HydrophobicContact CB-CZ2 4.08Å; K854-W1033 HydrophobicContact CD-CH2 3.81Å; K854-W1033 HydrophobicContact CD-CZ2 4.22Å; K854-W1033 HydrophobicContact CD-CZ3 4.08Å; R856-W1033 HydrophobicContact CB-CB 4.16Å; R856-W1033 HydrophobicContact CG-CB 4.16Å; F979-W1033 AromaticContact CE2-CH2 3.77Å; F979-W1033 HydrophobicContact CE2-CH2 3.77Å; F979-W1033 HydrophobicContact CE2-CZ3 4.37Å; F979-W1033 AromaticContact CZ-CH2 3.81Å; F979-W1033 HydrophobicContact CZ-CH2 3.81Å; F979-W1033 HydrophobicContact CZ-CZ3 4.38Å; I983-W1033 HydrophobicContact CD1-CH2 4.42Å; I983-W1033 HydrophobicContact CD1-CZ3 3.77Å; I983-W1033 HydrophobicContact CG1-CZ3 4.36Å; Y1028-W1033 HydrophobicContact CD1-CH2 4.05Å; Y1028-W1033 HydrophobicContact CD1-CZ2 4.07Å; Y1028-W1033 HydrophobicContact CE1-CH2 4.39Å; Y1028-W1033 HydrophobicContact CE1-CZ2 4.42Å; F1031-W1033 HydrophobicContact CB-CD2 4.49Å; F1031-W1033 HydrophobicContact CB-CZ2 4.4Å; F1031-W1033 AromaticContact CD1-NE1 3.65Å; F1031-W1033 HydrophobicContact CG-CZ2 4.42Å; F1031-W1033 AromaticContact CG-NE1 3.85Å; F1031-W1033 PolarHBondContact O-N 2.78Å |
| 1034 | F | 90.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -95.6 | -22.6 | -179.3 | -167.7 | -97.4 | 0 | 0 | 0 | 112.5 | F979 I982 I983 V1024 Y1028 F1031 K1032 L1036 P1037 M1038 | F979-F1034 HydrophobicContact CD2-CE2 4.02Å; F979-F1034 HydrophobicContact CE2-CD2 4.37Å; F979-F1034 HydrophobicContact CE2-CE2 4.12Å; I982-F1034 HydrophobicContact CB-CE2 4.45Å; I982-F1034 HydrophobicContact CB-CZ 4.15Å; I982-F1034 HydrophobicContact CD1-CZ 4.24Å; I982-F1034 HydrophobicContact CG2-CE1 4.17Å; I982-F1034 HydrophobicContact CG2-CE2 3.95Å; I982-F1034 HydrophobicContact CG2-CZ 3.49Å; I982-F1034 VanDerWaalsContact CG2-CZ 3.49Å; I983-F1034 HydrophobicContact CD1-CD2 4.34Å; I983-F1034 HydrophobicContact CD1-CE2 4.29Å; I983-F1034 HydrophobicContact CG1-CD2 3.98Å; I983-F1034 HydrophobicContact CG1-CE2 3.82Å; V1024-F1034 HydrophobicContact CG1-CZ 4.23Å; Y1028-F1034 HydrophobicContact CG-CD2 4.41Å; Y1028-F1034 HydrophobicContact CG-CE2 4.49Å; Y1028-F1034 HydrophobicContact CG-CG 4.45Å; F1031-F1034 HydrophobicContact CB-CB 4.26Å; F1031-F1034 PolarHBondContact O-N 2.9Å; K1032-F1034 VanDerWaalsContact C-N 3.34Å; F1034-L1036 PolarHBondContact O-N 2.92Å; F1034-P1037 WeakPolarHBondContact O-CD 3.18Å; F1034-M1038 HydrophobicContact CD1-CB 3.87Å; F1034-M1038 HydrophobicContact CD1-CG 4.42Å; F1034-M1038 HydrophobicContact CD1-SD 4.16Å; F1034-M1038 HydrophobicContact CE1-CB 3.73Å; F1034-M1038 HydrophobicContact CE1-CG 3.97Å; F1034-M1038 HydrophobicContact CE1-SD 3.93Å; F1034-M1038 VanDerWaalsContact O-CB 3.31Å; F1034-M1038 WeakPolarHBondContact O-CB 3.36Å; F1034-M1038 PolarHBondContact O-N 3.13Å |
| 1035 | A | 91.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -50 | -58 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1031 M1038 L1039 C1074 W1075 | F1031-A1035 PolarHBondContact O-N 3.46Å; A1035-M1038 PolarHBondContact O-N 3.43Å; A1035-L1039 VanDerWaalsContact O-CG 3.3Å; A1035-L1039 WeakPolarHBondContact O-CG 3.23Å; A1035-L1039 PolarHBondContact O-N 3.1Å; A1035-C1074 VanDerWaalsContact CA-SG 3.53Å; A1035-C1074 WeakPolarHBondContact CB-SG 3.26Å; A1035-W1075 HydrophobicContact CB-CB 4.14Å; A1035-W1075 HydrophobicContact CB-CE3 4.31Å |
| 1036 | L | 92 | Very high | 91.9 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 19% | 0.194 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -48.2 | -176.6 | 178.7 | 63.3 | 0 | 0 | 0 | 113.1 | F1034 M1038 L1039 R1040 P1082 V1083 A1086 | F1034-L1036 PolarHBondContact O-N 2.92Å; L1036-M1038 VanDerWaalsContact C-N 3.3Å; L1036-M1038 PolarHBondContact O-N 3.39Å; L1036-L1039 PolarHBondContact O-N 2.78Å; L1036-R1040 HydrophobicContact CD1-CG 4.22Å; L1036-R1040 PolarHBondContact O-N 3.36Å; L1036-R1040 VanDerWaalsContact O-N 3.1Å; L1036-P1082 HydrophobicContact CD1-CB 4.27Å; L1036-P1082 VanDerWaalsContact CD1-O 3.3Å; L1036-P1082 WeakPolarHBondContact CD1-O 2.92Å; L1036-P1082 HydrophobicContact CD2-CB 3.92Å; L1036-V1083 HydrophobicContact CB-CG2 3.97Å; L1036-A1086 HydrophobicContact CD1-CB 3.67Å |
| 1037 | P | 93.5 | Very high | 91.5 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.1 | -42.7 | 175.7 | -27.1 | 33.7 | 0 | 0 | 0 | 113.4 | G986 F1034 R1040 V1041 | G986-P1037 WeakPolarHBondContact CA-O 3.25Å; F1034-P1037 WeakPolarHBondContact O-CD 3.18Å; P1037-R1040 PolarHBondContact O-N 2.89Å; P1037-V1041 WeakPolarHBondContact O-CG2 3.37Å; P1037-V1041 PolarHBondContact O-N 3.46Å; P1037-V1041 VanDerWaalsContact O-N 3.14Å |
| 1038 | M | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.3 | -52.6 | 176.8 | -175.9 | -175.6 | 75.1 | 0 | 0 | 111.4 | I982 C1025 F1034 A1035 L1036 R1040 V1041 L1042 C1074 | I982-M1038 HydrophobicContact CG2-CB 4.45Å; C1025-M1038 HydrophobicContact CB-CG 4.16Å; C1025-M1038 HydrophobicContact CB-SD 3.7Å; F1034-M1038 HydrophobicContact CD1-CB 3.87Å; F1034-M1038 HydrophobicContact CD1-CG 4.42Å; F1034-M1038 HydrophobicContact CD1-SD 4.16Å; F1034-M1038 HydrophobicContact CE1-CB 3.73Å; F1034-M1038 HydrophobicContact CE1-CG 3.97Å; F1034-M1038 HydrophobicContact CE1-SD 3.93Å; F1034-M1038 VanDerWaalsContact O-CB 3.31Å; F1034-M1038 WeakPolarHBondContact O-CB 3.36Å; F1034-M1038 PolarHBondContact O-N 3.13Å; A1035-M1038 PolarHBondContact O-N 3.43Å; L1036-M1038 VanDerWaalsContact C-N 3.3Å; L1036-M1038 PolarHBondContact O-N 3.39Å; M1038-R1040 VanDerWaalsContact C-N 3.32Å; M1038-R1040 PolarHBondContact O-N 3.28Å; M1038-V1041 PolarHBondContact O-N 3.23Å; M1038-V1041 VanDerWaalsContact O-N 3.1Å; M1038-L1042 HydrophobicContact CG-CD1 4.14Å; M1038-L1042 HydrophobicContact CG-CG 4.43Å; M1038-L1042 WeakPolarHBondContact O-CG 3.22Å; M1038-L1042 PolarHBondContact O-N 3.43Å; M1038-C1074 HydrophobicContact CE-CB 3.57Å; M1038-C1074 WeakPolarHBondContact CE-SG 3.38Å |
| 1039 | L | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -42 | -178.8 | -70.4 | 169 | 0 | 0 | 0 | 112.4 | A1035 L1036 V1041 L1042 E1043 A1071 C1074 V1083 A1086 R1087 V1090 | A1035-L1039 VanDerWaalsContact O-CG 3.3Å; A1035-L1039 WeakPolarHBondContact O-CG 3.23Å; A1035-L1039 PolarHBondContact O-N 3.1Å; L1036-L1039 PolarHBondContact O-N 2.78Å; L1039-V1041 VanDerWaalsContact C-N 3.34Å; L1039-V1041 PolarHBondContact O-N 3.3Å; L1039-L1042 PolarHBondContact O-N 3.32Å; L1039-E1043 WeakPolarHBondContact O-CB 3.43Å; L1039-E1043 PolarHBondContact O-N 2.86Å; L1039-A1071 HydrophobicContact CD2-CB 4.13Å; L1039-C1074 HydrophobicContact CD2-CB 4.5Å; L1039-V1083 HydrophobicContact CD1-CG1 3.88Å; L1039-V1083 WeakPolarHBondContact CD1-O 3.33Å; L1039-A1086 HydrophobicContact CB-CB 3.73Å; L1039-A1086 HydrophobicContact CD1-CB 4.28Å; L1039-R1087 HydrophobicContact CD1-CB 4.06Å; L1039-R1087 HydrophobicContact CD2-CB 4.37Å; L1039-V1090 HydrophobicContact CB-CG2 4.45Å; L1039-V1090 HydrophobicContact CD2-CG2 4.18Å; L1039-V1090 VanDerWaalsContact O-CG2 3.26Å; L1039-V1090 WeakPolarHBondContact O-CG2 3.19Å |
| 1040 | R | 95.6 | Very high | 89.2 | Confident | 76 Ų | 76 | 39.4 Ų | 39.4 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 176.7 | -75.1 | 176.6 | 168.6 | -176.3 | -4 | 113.4 | G986 S987 L1036 P1037 M1038 K1044 A1086 | G986-R1040 VanDerWaalsContact O-CD 3.29Å; G986-R1040 WeakPolarHBondContact O-CD 3.23Å; G986-R1040 PolarHBondContact O-NH1 3.09Å; S987-R1040 PolarHBondContact O-NH1 3.37Å; L1036-R1040 HydrophobicContact CD1-CG 4.22Å; L1036-R1040 PolarHBondContact O-N 3.36Å; L1036-R1040 VanDerWaalsContact O-N 3.1Å; P1037-R1040 PolarHBondContact O-N 2.89Å; M1038-R1040 VanDerWaalsContact C-N 3.32Å; M1038-R1040 PolarHBondContact O-N 3.28Å; R1040-K1044 VanDerWaalsContact O-CG 3.25Å; R1040-K1044 WeakPolarHBondContact O-CG 3.46Å; R1040-K1044 PolarHBondContact O-N 2.93Å; R1040-K1044 VanDerWaalsContact O-N 3.08Å; R1040-A1086 HydrophobicContact CG-CB 4.37Å |
| 1041 | V | 95.7 | Very high | 88.2 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.3 | -38.5 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I982 A985 L1000 F1021 P1037 M1038 L1039 K1044 L1045 | I982-V1041 HydrophobicContact CG2-CG2 4.43Å; I982-V1041 WeakPolarHBondContact O-CG2 3.38Å; A985-V1041 HydrophobicContact CB-CG2 3.64Å; L1000-V1041 HydrophobicContact CD2-CG1 3.71Å; F1021-V1041 HydrophobicContact CE2-CG1 4.03Å; F1021-V1041 HydrophobicContact CZ-CG1 4.09Å; P1037-V1041 WeakPolarHBondContact O-CG2 3.37Å; P1037-V1041 PolarHBondContact O-N 3.46Å; P1037-V1041 VanDerWaalsContact O-N 3.14Å; M1038-V1041 PolarHBondContact O-N 3.23Å; M1038-V1041 VanDerWaalsContact O-N 3.1Å; L1039-V1041 VanDerWaalsContact C-N 3.34Å; L1039-V1041 PolarHBondContact O-N 3.3Å; V1041-K1044 PolarHBondContact O-N 3.46Å; V1041-L1045 WeakPolarHBondContact O-CB 3.5Å; V1041-L1045 PolarHBondContact O-N 3.07Å |
| 1042 | L | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 173.8 | -65.8 | 178.4 | 0 | 0 | 0 | 111.6 | F1021 M1038 L1039 L1045 L1046 I1067 L1070 V1090 | F1021-L1042 HydrophobicContact CE1-CD2 3.98Å; F1021-L1042 HydrophobicContact CZ-CD2 3.96Å; M1038-L1042 HydrophobicContact CG-CD1 4.14Å; M1038-L1042 HydrophobicContact CG-CG 4.43Å; M1038-L1042 WeakPolarHBondContact O-CG 3.22Å; M1038-L1042 PolarHBondContact O-N 3.43Å; L1039-L1042 PolarHBondContact O-N 3.32Å; L1042-L1045 WeakPolarHBondContact O-CB 3.15Å; L1042-L1045 PolarHBondContact O-N 3.35Å; L1042-L1046 WeakPolarHBondContact O-CG 3.26Å; L1042-L1046 PolarHBondContact O-N 3Å; L1042-I1067 HydrophobicContact CB-CG2 4.19Å; L1042-I1067 HydrophobicContact CD1-CG2 4.33Å; L1042-I1067 HydrophobicContact CD2-CG1 4.07Å; L1042-I1067 HydrophobicContact CD2-CG2 4.14Å; L1042-I1067 HydrophobicContact CG-CG2 4.44Å; L1042-L1070 HydrophobicContact CD1-CB 4.22Å; L1042-V1090 HydrophobicContact CB-CG1 4.43Å; L1042-V1090 HydrophobicContact CB-CG2 3.9Å |
| 1043 | E | 94.3 | Very high | 86 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 21% | 0.206 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.6 | -51.7 | 173.6 | 173.3 | -174.2 | -154.3 | 0 | 0 | 111.3 | L1039 L1045 L1046 L1047 S1089 V1090 | L1039-E1043 WeakPolarHBondContact O-CB 3.43Å; L1039-E1043 PolarHBondContact O-N 2.86Å; E1043-L1045 VanDerWaalsContact C-N 3.25Å; E1043-L1045 PolarHBondContact O-N 3.06Å; E1043-L1046 WeakPolarHBondContact O-CB 3.49Å; E1043-L1046 PolarHBondContact O-N 3.48Å; E1043-L1046 VanDerWaalsContact O-N 3.07Å; E1043-L1047 HydrophobicContact CG-CD1 4.06Å; E1043-L1047 WeakPolarHBondContact O-CG 3.27Å; E1043-L1047 PolarHBondContact O-N 3.42Å; E1043-S1089 WeakPolarHBondContact OE1-CB 3.3Å; E1043-S1089 PolarHBondContact OE1-OG 3.08Å; E1043-V1090 HydrophobicContact CB-CG2 4.11Å |
| 1044 | K | 93.4 | Very high | 84.8 | Confident | 55 Ų | 55 | 41 Ų | 41 | 24% | 0.239 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -34.9 | 178.3 | -73.4 | 171.5 | 178 | -176 | 0 | 113.1 | A985 S993 S997 R1040 V1041 S1048 | A985-K1044 PolarHBondContact O-NZ 2.93Å; S993-K1044 PolarHBondContact OG-NZ 3.11Å; S997-K1044 WeakPolarHBondContact OG-CD 3.23Å; S997-K1044 PolarHBondContact OG-NZ 3.17Å; R1040-K1044 VanDerWaalsContact O-CG 3.25Å; R1040-K1044 WeakPolarHBondContact O-CG 3.46Å; R1040-K1044 PolarHBondContact O-N 2.93Å; R1040-K1044 VanDerWaalsContact O-N 3.08Å; V1041-K1044 PolarHBondContact O-N 3.46Å; K1044-S1048 WeakPolarHBondContact O-CB 3.27Å; K1044-S1048 PolarHBondContact O-N 3.35Å |
| 1045 | L | 90.9 | Very high | 83.3 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -42.3 | 175.1 | -176 | 69.7 | 0 | 0 | 0 | 111 | L1001 F1004 F1018 F1021 V1041 L1042 E1043 L1047 S1048 F1050 I1067 | L1001-L1045 HydrophobicContact CD2-CB 4.49Å; L1001-L1045 HydrophobicContact CD2-CD1 3.93Å; F1004-L1045 HydrophobicContact CD2-CD1 3.8Å; F1004-L1045 HydrophobicContact CE2-CD1 4.3Å; F1004-L1045 HydrophobicContact CG-CD1 4.46Å; F1018-L1045 HydrophobicContact CE2-CD2 3.66Å; F1018-L1045 HydrophobicContact CZ-CD2 3.61Å; F1021-L1045 HydrophobicContact CE1-CD2 4.26Å; V1041-L1045 WeakPolarHBondContact O-CB 3.5Å; V1041-L1045 PolarHBondContact O-N 3.07Å; L1042-L1045 WeakPolarHBondContact O-CB 3.15Å; L1042-L1045 PolarHBondContact O-N 3.35Å; E1043-L1045 VanDerWaalsContact C-N 3.25Å; E1043-L1045 PolarHBondContact O-N 3.06Å; L1045-L1047 VanDerWaalsContact C-N 3.33Å; L1045-L1047 PolarHBondContact O-N 3Å; L1045-S1048 WeakPolarHBondContact O-CB 3.47Å; L1045-S1048 PolarHBondContact O-N 2.91Å; L1045-S1048 PolarHBondContact O-OG 2.98Å; L1045-F1050 HydrophobicContact CD1-CB 3.88Å; L1045-F1050 HydrophobicContact CD1-CD1 4.02Å; L1045-F1050 HydrophobicContact CD1-CD2 4.14Å; L1045-F1050 HydrophobicContact CD1-CG 3.75Å; L1045-F1050 HydrophobicContact CD2-CD1 4.27Å; L1045-F1050 HydrophobicContact CD2-CE1 4.35Å; L1045-F1050 HydrophobicContact CG-CB 4.42Å; L1045-F1050 HydrophobicContact CG-CD1 4.02Å; L1045-F1050 HydrophobicContact CG-CG 4.24Å; L1045-I1067 HydrophobicContact CD2-CD1 3.9Å |
| 1046 | L | 89.8 | Confident | 81.6 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -33.8 | 178 | -69.6 | 167.9 | 0 | 0 | 0 | 112.8 | L1042 E1043 S1048 T1051 L1064 I1067 V1090 | L1042-L1046 WeakPolarHBondContact O-CG 3.26Å; L1042-L1046 PolarHBondContact O-N 3Å; E1043-L1046 WeakPolarHBondContact O-CB 3.49Å; E1043-L1046 PolarHBondContact O-N 3.48Å; E1043-L1046 VanDerWaalsContact O-N 3.07Å; L1046-S1048 VanDerWaalsContact C-N 3.3Å; L1046-T1051 HydrophobicContact CD2-CG2 3.99Å; L1046-T1051 WeakPolarHBondContact O-CG2 3.42Å; L1046-T1051 PolarHBondContact O-OG1 2.9Å; L1046-L1064 HydrophobicContact CD2-CD2 3.61Å; L1046-I1067 HydrophobicContact CD1-CG2 4.06Å; L1046-I1067 HydrophobicContact CD2-CG2 4.44Å; L1046-I1067 HydrophobicContact CG-CG2 4.41Å; L1046-V1090 HydrophobicContact CD1-CB 4.43Å; L1046-V1090 HydrophobicContact CD1-CG1 3.88Å; L1046-V1090 WeakPolarHBondContact CD1-O 3.32Å |
| 1047 | L | 87.1 | Confident | 80.5 | Confident | 101 Ų | 101 | 49 Ų | 49 | 53% | 0.529 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.2 | 174.6 | -65.5 | 174.4 | 0 | 0 | 0 | 113.9 | E1043 L1045 | E1043-L1047 HydrophobicContact CG-CD1 4.06Å; E1043-L1047 WeakPolarHBondContact O-CG 3.27Å; E1043-L1047 PolarHBondContact O-N 3.42Å; L1045-L1047 VanDerWaalsContact C-N 3.33Å; L1045-L1047 PolarHBondContact O-N 3Å |
| 1048 | S | 84.2 | Confident | 79.5 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -89.9 | 167.8 | 179.4 | 79 | 0 | 0 | 0 | 0 | 112 | K1044 L1045 L1046 F1050 T1051 | K1044-S1048 WeakPolarHBondContact O-CB 3.27Å; K1044-S1048 PolarHBondContact O-N 3.35Å; L1045-S1048 WeakPolarHBondContact O-CB 3.47Å; L1045-S1048 PolarHBondContact O-N 2.91Å; L1045-S1048 PolarHBondContact O-OG 2.98Å; L1046-S1048 VanDerWaalsContact C-N 3.3Å; S1048-F1050 PolarHBondContact O-N 3.43Å; S1048-F1050 VanDerWaalsContact OG-CB 3.28Å; S1048-F1050 WeakPolarHBondContact OG-CB 3.44Å; S1048-F1050 PolarHBondContact OG-N 3.45Å; S1048-T1051 PolarHBondContact O-N 3.24Å; S1048-T1051 PolarHBondContact O-OG1 3.36Å; S1048-T1051 VanDerWaalsContact O-OG1 3.07Å |
| 1049 | E | 71.9 | Confident | 78.5 | Confident | 98 Ų | 98 | 59 Ų | 59 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -56.9 | -4.1 | 172.7 | -64.2 | 164.6 | -165.6 | 0 | 0 | 114.8 | R1005 R1008 T1051 D1052 | R1005-E1049 IonicContact CZ-OE1 2.92Å; R1005-E1049 IonicContact CZ-OE2 2.75Å; R1005-E1049 IonicContact NE-OE2 2.63Å; R1005-E1049 PolarHBondContact NE-OE2 3.44Å; R1005-E1049 IonicContact NH2-OE1 3.81Å; R1005-E1049 PolarHBondContact NH2-OE1 3.42Å; R1005-E1049 IonicContact NH2-OE2 3.1Å; R1005-E1049 PolarHBondContact NH2-OE2 2.82Å; R1005-E1049 VanDerWaalsContact NH2-OE2 3.12Å; R1008-E1049 PolarHBondContact NH1-O 3.49Å; E1049-T1051 PolarHBondContact O-N 3.47Å; E1049-D1052 VanDerWaalsContact O-CB 3.28Å; E1049-D1052 WeakPolarHBondContact O-CB 3.44Å; E1049-D1052 PolarHBondContact O-N 2.84Å |
| 1050 | F | 71.1 | Confident | 77.6 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -62.8 | -27.5 | 174.7 | -169 | -96.2 | 0 | 0 | 0 | 112.8 | F1004 L1014 F1018 L1045 S1048 | F1004-F1050 HydrophobicContact CB-CD2 4.34Å; L1014-F1050 HydrophobicContact CD1-CE2 3.91Å; L1014-F1050 HydrophobicContact CD1-CZ 4.35Å; F1018-F1050 HydrophobicContact CD2-CE2 4.12Å; F1018-F1050 AromaticContact CD2-CZ 3.78Å; F1018-F1050 HydrophobicContact CD2-CZ 3.78Å; F1018-F1050 HydrophobicContact CE1-CZ 4.27Å; F1018-F1050 AromaticContact CE2-CE1 3.94Å; F1018-F1050 HydrophobicContact CE2-CE1 3.94Å; F1018-F1050 AromaticContact CE2-CE2 3.99Å; F1018-F1050 HydrophobicContact CE2-CE2 3.99Å; F1018-F1050 AromaticContact CE2-CZ 3.44Å; F1018-F1050 HydrophobicContact CE2-CZ 3.44Å; F1018-F1050 VanDerWaalsContact CE2-CZ 3.44Å; F1018-F1050 HydrophobicContact CG-CZ 4.32Å; F1018-F1050 AromaticContact CZ-CE1 3.86Å; F1018-F1050 HydrophobicContact CZ-CE1 3.86Å; F1018-F1050 AromaticContact CZ-CZ 3.73Å; F1018-F1050 HydrophobicContact CZ-CZ 3.73Å; L1045-F1050 HydrophobicContact CD1-CB 3.88Å; L1045-F1050 HydrophobicContact CD1-CD1 4.02Å; L1045-F1050 HydrophobicContact CD1-CD2 4.14Å; L1045-F1050 HydrophobicContact CD1-CG 3.75Å; L1045-F1050 HydrophobicContact CD2-CD1 4.27Å; L1045-F1050 HydrophobicContact CD2-CE1 4.35Å; L1045-F1050 HydrophobicContact CG-CB 4.42Å; L1045-F1050 HydrophobicContact CG-CD1 4.02Å; L1045-F1050 HydrophobicContact CG-CG 4.24Å; S1048-F1050 PolarHBondContact O-N 3.43Å; S1048-F1050 VanDerWaalsContact OG-CB 3.28Å; S1048-F1050 WeakPolarHBondContact OG-CB 3.44Å; S1048-F1050 PolarHBondContact OG-N 3.45Å |
| 1051 | T | 66.9 | Low | 76.9 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -93.1 | 3.3 | 179.6 | 51.7 | 0 | 0 | 0 | 0 | 114.2 | L1046 S1048 E1049 D1053 L1064 | L1046-T1051 HydrophobicContact CD2-CG2 3.99Å; L1046-T1051 WeakPolarHBondContact O-CG2 3.42Å; L1046-T1051 PolarHBondContact O-OG1 2.9Å; S1048-T1051 PolarHBondContact O-N 3.24Å; S1048-T1051 PolarHBondContact O-OG1 3.36Å; S1048-T1051 VanDerWaalsContact O-OG1 3.07Å; E1049-T1051 PolarHBondContact O-N 3.47Å; T1051-D1053 PolarHBondContact O-N 3.13Å; T1051-L1064 HydrophobicContact CG2-CD2 4.04Å |
| 1052 | D | 68.1 | Low | 76.5 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | trans | -56 | 129.5 | -176.5 | 172.9 | 2.7 | 0 | 0 | 0 | 113 | R1008 E1049 R1054 L1055 | R1008-D1052 IonicContact CZ-OD2 2.77Å; R1008-D1052 IonicContact NH1-OD2 3.4Å; R1008-D1052 PolarHBondContact NH1-OD2 3.39Å; R1008-D1052 VanDerWaalsContact NH2-CG 3.28Å; R1008-D1052 IonicContact NH2-OD2 3.92Å; R1008-D1052 PolarHBondContact NH2-OD2 2.85Å; E1049-D1052 VanDerWaalsContact O-CB 3.28Å; E1049-D1052 WeakPolarHBondContact O-CB 3.44Å; E1049-D1052 PolarHBondContact O-N 2.84Å; D1052-R1054 PolarHBondContact O-N 3.39Å; D1052-R1054 PolarHBondContact OD1-N 2.92Å; D1052-L1055 WeakPolarHBondContact O-CB 3.4Å; D1052-L1055 PolarHBondContact O-N 3.48Å | ||
| 1053 | D | 58.8 | Low | 76.1 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -24.4 | -173 | -55.1 | -38.6 | 0 | 0 | 0 | 114.6 | T1051 L1055 F1098 | T1051-D1053 PolarHBondContact O-N 3.13Å; D1053-L1055 PolarHBondContact O-N 3.49Å; D1053-F1098 HydrophobicContact CB-CD2 3.79Å; D1053-F1098 HydrophobicContact CB-CE2 3.7Å; D1053-F1098 HydrophobicContact CB-CZ 4.37Å; D1053-F1098 WeakPolarHBondContact OD1-CD2 3.48Å; D1053-F1098 VanDerWaalsContact OD1-CE2 3.28Å; D1053-F1098 WeakPolarHBondContact OD1-CE2 3.49Å; D1053-F1098 WeakPolarHBondContact OD2-CE2 3.37Å |
| 1054 | R | 59.1 | Low | 75.9 | Confident | 221 Ų | 221 | 57.5 Ų | 57.5 | 83% | 0.834 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.7 | 176.6 | -62.4 | 177.9 | -174 | -179.1 | 3.6 | 113 | D1052 Q1056 | D1052-R1054 PolarHBondContact O-N 3.39Å; D1052-R1054 PolarHBondContact OD1-N 2.92Å; R1054-Q1056 PolarHBondContact O-N 2.89Å |
| 1055 | L | 59.5 | Low | 75.7 | Confident | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | trans | -92.6 | 67.1 | 179.5 | -65.1 | 169 | 0 | 0 | 0 | 112.1 | R1008 D1052 D1053 S1057 | R1008-L1055 HydrophobicContact CG-CD1 4.06Å; R1008-L1055 HydrophobicContact CG-CD2 4.1Å; D1052-L1055 WeakPolarHBondContact O-CB 3.4Å; D1052-L1055 PolarHBondContact O-N 3.48Å; D1053-L1055 PolarHBondContact O-N 3.49Å; L1055-S1057 PolarHBondContact O-N 3.43Å | ||
| 1056 | Q | 55.1 | Low | 75.8 | Confident | 143 Ų | 143 | 62.5 Ų | 62.5 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | trans | -72.6 | 11.3 | -177.8 | -69.8 | -164.9 | -11 | 0 | 0 | 115.8 | R1054 R1099 | R1054-Q1056 PolarHBondContact O-N 2.89Å; Q1056-R1099 PolarHBondContact O-NH2 3.38Å | ||
| 1057 | S | 69.3 | Low | 76 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -68.8 | 144.3 | -175 | 94.3 | 0 | 0 | 0 | 0 | 113.3 | L1055 L1059 H1060 | L1055-S1057 PolarHBondContact O-N 3.43Å; S1057-L1059 PolarHBondContact O-N 2.97Å; S1057-L1059 PolarHBondContact OG-N 3.45Å; S1057-H1060 PolarHBondContact O-N 3.43Å; S1057-H1060 PolarHBondContact OG-N 3.31Å; S1057-H1060 PolarHBondContact OG-ND1 3.02Å | ||
| 1058 | Q | 71.2 | Confident | 76.3 | Confident | 179 Ų | 179 | 58 Ų | 58 | 84% | 0.836 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -56.6 | -33 | 174.3 | -75 | -178.2 | -13.8 | 0 | 0 | 112.1 | H1060 T1061 S1062 | Q1058-H1060 PolarHBondContact O-N 3.36Å; Q1058-T1061 WeakPolarHBondContact O-CB 3.5Å; Q1058-T1061 PolarHBondContact O-N 3.4Å; Q1058-S1062 PolarHBondContact O-N 3.35Å; Q1058-S1062 VanDerWaalsContact O-N 3.12Å |
| 1059 | L | 75.1 | Confident | 76.8 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 23% | 0.225 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 178.1 | -162.8 | 89.9 | 0 | 0 | 0 | 111.7 | L1014 K1015 S1057 T1061 S1062 Y1063 | L1014-L1059 HydrophobicContact CD2-CD2 4.22Å; K1015-L1059 HydrophobicContact CB-CD2 4.43Å; K1015-L1059 HydrophobicContact CD-CD1 4.33Å; K1015-L1059 HydrophobicContact CG-CD1 4.33Å; S1057-L1059 PolarHBondContact O-N 2.97Å; S1057-L1059 PolarHBondContact OG-N 3.45Å; L1059-T1061 VanDerWaalsContact C-N 3.29Å; L1059-T1061 PolarHBondContact O-N 3.03Å; L1059-S1062 PolarHBondContact O-N 3.4Å; L1059-S1062 PolarHBondContact O-OG 3.34Å; L1059-Y1063 HydrophobicContact CD2-CE2 3.63Å; L1059-Y1063 WeakPolarHBondContact CD2-OH 3.15Å; L1059-Y1063 HydrophobicContact CG-CE1 4.43Å; L1059-Y1063 HydrophobicContact CG-CE2 3.71Å; L1059-Y1063 WeakPolarHBondContact CG-OH 3.43Å; L1059-Y1063 PolarHBondContact O-N 2.98Å |
| 1060 | H | 78.2 | Confident | 77.9 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 179.5 | -67.9 | 86.1 | 0 | 0 | 0 | 111.9 | L1014 S1057 Q1058 S1062 Y1063 L1064 | L1014-H1060 WeakPolarHBondContact CD2-NE2 3.39Å; S1057-H1060 PolarHBondContact O-N 3.43Å; S1057-H1060 PolarHBondContact OG-N 3.31Å; S1057-H1060 PolarHBondContact OG-ND1 3.02Å; Q1058-H1060 PolarHBondContact O-N 3.36Å; H1060-S1062 PolarHBondContact O-N 2.99Å; H1060-Y1063 PolarHBondContact O-N 3.46Å; H1060-L1064 WeakPolarHBondContact O-CG 3.3Å; H1060-L1064 PolarHBondContact O-N 3.12Å |
| 1061 | T | 80.4 | Confident | 79 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 18% | 0.184 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.2 | -51 | 0 | 0 | 0 | 0 | 110.9 | Q1058 L1059 Y1063 L1064 E1065 R1099 | Q1058-T1061 WeakPolarHBondContact O-CB 3.5Å; Q1058-T1061 PolarHBondContact O-N 3.4Å; L1059-T1061 VanDerWaalsContact C-N 3.29Å; L1059-T1061 PolarHBondContact O-N 3.03Å; T1061-Y1063 PolarHBondContact O-N 3.46Å; T1061-L1064 PolarHBondContact O-N 2.84Å; T1061-E1065 WeakPolarHBondContact O-CG 3.44Å; T1061-E1065 PolarHBondContact O-N 3.05Å; T1061-R1099 PolarHBondContact OG1-NE 2.92Å; T1061-R1099 PolarHBondContact OG1-NH2 2.99Å |
| 1062 | S | 85.8 | Confident | 80.2 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 31% | 0.308 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.4 | -32.9 | 177.6 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | Q1058 L1059 H1060 R1066 | Q1058-S1062 PolarHBondContact O-N 3.35Å; Q1058-S1062 VanDerWaalsContact O-N 3.12Å; L1059-S1062 PolarHBondContact O-N 3.4Å; L1059-S1062 PolarHBondContact O-OG 3.34Å; H1060-S1062 PolarHBondContact O-N 2.99Å; S1062-R1066 WeakPolarHBondContact O-CG 3.26Å; S1062-R1066 PolarHBondContact O-N 3.18Å; S1062-R1066 VanDerWaalsContact O-N 3.1Å |
| 1063 | Y | 88.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.4 | -42.5 | 176.2 | -65.8 | -22.5 | 0 | 0 | 0 | 112.5 | L1014 K1015 F1018 L1022 L1059 H1060 T1061 E1065 R1066 I1067 | L1014-Y1063 HydrophobicContact CD2-CE2 4.45Å; L1014-Y1063 HydrophobicContact CG-CE2 4.28Å; K1015-Y1063 VanDerWaalsContact CA-OH 3.29Å; K1015-Y1063 WeakPolarHBondContact CA-OH 3.17Å; F1018-Y1063 HydrophobicContact CB-CE2 4.25Å; F1018-Y1063 AromaticContact CD1-CD1 3.82Å; F1018-Y1063 HydrophobicContact CD1-CD1 3.82Å; F1018-Y1063 AromaticContact CD1-CD2 3.5Å; F1018-Y1063 HydrophobicContact CD1-CD2 3.5Å; F1018-Y1063 VanDerWaalsContact CD1-CD2 3.5Å; F1018-Y1063 HydrophobicContact CD1-CE1 4.09Å; F1018-Y1063 AromaticContact CD1-CE2 3.77Å; F1018-Y1063 HydrophobicContact CD1-CE2 3.77Å; F1018-Y1063 AromaticContact CD1-CG 3.54Å; F1018-Y1063 HydrophobicContact CD1-CG 3.54Å; F1018-Y1063 HydrophobicContact CE1-CD1 4.12Å; F1018-Y1063 AromaticContact CE1-CD2 3.83Å; F1018-Y1063 HydrophobicContact CE1-CD2 3.83Å; F1018-Y1063 AromaticContact CE1-CG 3.6Å; F1018-Y1063 HydrophobicContact CE1-CG 3.6Å; F1018-Y1063 HydrophobicContact CG-CD2 4.24Å; F1018-Y1063 HydrophobicContact CG-CE2 4.24Å; L1022-Y1063 HydrophobicContact CD1-CD1 3.81Å; L1022-Y1063 HydrophobicContact CD1-CE1 4.39Å; L1022-Y1063 HydrophobicContact CD1-CG 4.48Å; L1059-Y1063 HydrophobicContact CD2-CE2 3.63Å; L1059-Y1063 WeakPolarHBondContact CD2-OH 3.15Å; L1059-Y1063 HydrophobicContact CG-CE1 4.43Å; L1059-Y1063 HydrophobicContact CG-CE2 3.71Å; L1059-Y1063 WeakPolarHBondContact CG-OH 3.43Å; L1059-Y1063 PolarHBondContact O-N 2.98Å; H1060-Y1063 PolarHBondContact O-N 3.46Å; T1061-Y1063 PolarHBondContact O-N 3.46Å; Y1063-E1065 VanDerWaalsContact C-N 3.33Å; Y1063-E1065 PolarHBondContact O-N 3.31Å; Y1063-R1066 CarbonylContact O-C 3.6Å; Y1063-R1066 PolarHBondContact O-N 3.02Å; Y1063-R1066 VanDerWaalsContact O-N 3.17Å; Y1063-I1067 VanDerWaalsContact O-CG1 3.3Å; Y1063-I1067 WeakPolarHBondContact O-CG1 3.37Å; Y1063-I1067 PolarHBondContact O-N 3.3Å |
| 1064 | L | 88.8 | Confident | 82.6 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176 | -65.1 | 169.2 | 0 | 0 | 0 | 111.6 | L1046 T1051 H1060 T1061 R1066 I1067 L1068 L1096 L1102 | L1046-L1064 HydrophobicContact CD2-CD2 3.61Å; T1051-L1064 HydrophobicContact CG2-CD2 4.04Å; H1060-L1064 WeakPolarHBondContact O-CG 3.3Å; H1060-L1064 PolarHBondContact O-N 3.12Å; T1061-L1064 PolarHBondContact O-N 2.84Å; L1064-R1066 VanDerWaalsContact C-N 3.3Å; L1064-R1066 PolarHBondContact O-N 3Å; L1064-I1067 HydrophobicContact CD2-CD1 4.45Å; L1064-I1067 PolarHBondContact O-N 3.18Å; L1064-L1068 PolarHBondContact O-N 3.32Å; L1064-L1096 HydrophobicContact CD1-CD1 3.72Å; L1064-L1096 HydrophobicContact CD2-CD1 4.49Å; L1064-L1102 HydrophobicContact CB-CD2 3.6Å; L1064-L1102 HydrophobicContact CD1-CD2 4.14Å; L1064-L1102 HydrophobicContact CG-CD2 4.43Å |
| 1065 | E | 90.8 | Very high | 83.6 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 40% | 0.397 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61 | -38.9 | 172.8 | -71.5 | 178.2 | 168.5 | 0 | 0 | 111.9 | T1061 Y1063 L1068 Y1069 L1102 | T1061-E1065 WeakPolarHBondContact O-CG 3.44Å; T1061-E1065 PolarHBondContact O-N 3.05Å; Y1063-E1065 VanDerWaalsContact C-N 3.33Å; Y1063-E1065 PolarHBondContact O-N 3.31Å; E1065-L1068 PolarHBondContact O-N 3.26Å; E1065-Y1069 WeakPolarHBondContact O-CB 3.22Å; E1065-Y1069 PolarHBondContact O-N 2.93Å; E1065-L1102 HydrophobicContact CG-CD1 4.19Å |
| 1066 | R | 92.8 | Very high | 84.3 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.7 | -33.2 | 175.1 | -76.5 | 174.2 | 68.4 | -171.9 | -0.5 | 113.4 | E1019 L1022 S1062 Y1063 L1064 Y1069 L1070 | E1019-R1066 IonicContact OE1-NH1 3.78Å; E1019-R1066 PolarHBondContact OE1-NH1 3.17Å; E1019-R1066 IonicContact OE2-CZ 2.74Å; E1019-R1066 VanDerWaalsContact OE2-CZ 3.24Å; E1019-R1066 IonicContact OE2-NH1 3.43Å; E1019-R1066 PolarHBondContact OE2-NH1 3.41Å; E1019-R1066 IonicContact OE2-NH2 3.56Å; E1019-R1066 PolarHBondContact OE2-NH2 3.04Å; L1022-R1066 HydrophobicContact CD1-CB 4.17Å; L1022-R1066 VanDerWaalsContact CD1-CZ 3.42Å; S1062-R1066 WeakPolarHBondContact O-CG 3.26Å; S1062-R1066 PolarHBondContact O-N 3.18Å; S1062-R1066 VanDerWaalsContact O-N 3.1Å; Y1063-R1066 CarbonylContact O-C 3.6Å; Y1063-R1066 PolarHBondContact O-N 3.02Å; Y1063-R1066 VanDerWaalsContact O-N 3.17Å; L1064-R1066 VanDerWaalsContact C-N 3.3Å; L1064-R1066 PolarHBondContact O-N 3Å; R1066-Y1069 PolarHBondContact O-N 3.28Å; R1066-L1070 WeakPolarHBondContact O-CB 3.11Å; R1066-L1070 VanDerWaalsContact O-CG 3.25Å; R1066-L1070 WeakPolarHBondContact O-CG 3.49Å; R1066-L1070 PolarHBondContact O-N 3.23Å |
| 1067 | I | 94.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 172.6 | -70 | 170.8 | 0 | 0 | 0 | 109.8 | F1018 L1022 L1042 L1045 L1046 Y1063 L1064 Y1069 L1070 A1071 V1090 | F1018-I1067 HydrophobicContact CZ-CD1 4.34Å; L1022-I1067 HydrophobicContact CD2-CG1 4.34Å; L1042-I1067 HydrophobicContact CB-CG2 4.19Å; L1042-I1067 HydrophobicContact CD1-CG2 4.33Å; L1042-I1067 HydrophobicContact CD2-CG1 4.07Å; L1042-I1067 HydrophobicContact CD2-CG2 4.14Å; L1042-I1067 HydrophobicContact CG-CG2 4.44Å; L1045-I1067 HydrophobicContact CD2-CD1 3.9Å; L1046-I1067 HydrophobicContact CD1-CG2 4.06Å; L1046-I1067 HydrophobicContact CD2-CG2 4.44Å; L1046-I1067 HydrophobicContact CG-CG2 4.41Å; Y1063-I1067 VanDerWaalsContact O-CG1 3.3Å; Y1063-I1067 WeakPolarHBondContact O-CG1 3.37Å; Y1063-I1067 PolarHBondContact O-N 3.3Å; L1064-I1067 HydrophobicContact CD2-CD1 4.45Å; L1064-I1067 PolarHBondContact O-N 3.18Å; I1067-Y1069 VanDerWaalsContact C-N 3.35Å; I1067-Y1069 PolarHBondContact O-N 3.4Å; I1067-L1070 PolarHBondContact O-N 3.48Å; I1067-A1071 PolarHBondContact O-N 2.82Å; I1067-V1090 HydrophobicContact CG2-CG1 3.99Å |
| 1068 | L | 93.4 | Very high | 85.6 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 174.7 | -176.9 | 64.7 | 0 | 0 | 0 | 111.2 | L1064 E1065 L1070 A1071 D1072 Y1091 C1094 L1102 F1105 | L1064-L1068 PolarHBondContact O-N 3.32Å; E1065-L1068 PolarHBondContact O-N 3.26Å; L1068-L1070 PolarHBondContact O-N 2.94Å; L1068-A1071 WeakPolarHBondContact O-CB 3.07Å; L1068-A1071 PolarHBondContact O-N 3.32Å; L1068-D1072 PolarHBondContact O-N 2.88Å; L1068-D1072 VanDerWaalsContact O-N 3.07Å; L1068-Y1091 HydrophobicContact CD1-CD1 3.45Å; L1068-Y1091 VanDerWaalsContact CD1-CD1 3.45Å; L1068-Y1091 HydrophobicContact CD1-CE1 3.74Å; L1068-C1094 HydrophobicContact CD1-CB 4.45Å; L1068-L1102 HydrophobicContact CB-CD1 4.18Å; L1068-L1102 HydrophobicContact CD2-CD1 3.74Å; L1068-F1105 HydrophobicContact CD2-CB 3.84Å |
| 1069 | Y | 94.4 | Very high | 86.2 | Confident | 140 Ų | 140 | 48.7 Ų | 48.7 | 55% | 0.549 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.4 | 176.9 | -101.6 | 0 | 0 | 0 | 112.5 | E1065 R1066 I1067 A1071 D1072 V1073 | E1065-Y1069 WeakPolarHBondContact O-CB 3.22Å; E1065-Y1069 PolarHBondContact O-N 2.93Å; R1066-Y1069 PolarHBondContact O-N 3.28Å; I1067-Y1069 VanDerWaalsContact C-N 3.35Å; I1067-Y1069 PolarHBondContact O-N 3.4Å; Y1069-A1071 VanDerWaalsContact C-N 3.28Å; Y1069-A1071 PolarHBondContact O-N 3.21Å; Y1069-D1072 WeakPolarHBondContact O-CB 3.44Å; Y1069-D1072 PolarHBondContact O-N 3.25Å; Y1069-D1072 VanDerWaalsContact O-N 3.11Å; Y1069-V1073 HydrophobicContact CD1-CG1 4.4Å; Y1069-V1073 HydrophobicContact CD1-CG2 4.23Å; Y1069-V1073 HydrophobicContact CD2-CG1 4.08Å; Y1069-V1073 HydrophobicContact CE1-CG1 3.89Å; Y1069-V1073 HydrophobicContact CE1-CG2 3.93Å; Y1069-V1073 HydrophobicContact CE2-CG1 3.52Å; Y1069-V1073 HydrophobicContact CG-CG1 4.5Å; Y1069-V1073 VanDerWaalsContact CZ-CG1 3.42Å; Y1069-V1073 WeakPolarHBondContact O-CG2 3.44Å; Y1069-V1073 PolarHBondContact O-N 2.99Å |
| 1070 | L | 95 | Very high | 86.8 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 175.9 | -78.3 | 168.5 | 0 | 0 | 0 | 111.4 | L1022 C1025 L1042 R1066 I1067 L1068 D1072 C1074 | L1022-L1070 HydrophobicContact CD2-CD1 3.77Å; C1025-L1070 HydrophobicContact CB-CD1 3.69Å; C1025-L1070 HydrophobicContact CB-CD2 4.13Å; L1042-L1070 HydrophobicContact CD1-CB 4.22Å; R1066-L1070 WeakPolarHBondContact O-CB 3.11Å; R1066-L1070 VanDerWaalsContact O-CG 3.25Å; R1066-L1070 WeakPolarHBondContact O-CG 3.49Å; R1066-L1070 PolarHBondContact O-N 3.23Å; I1067-L1070 PolarHBondContact O-N 3.48Å; L1068-L1070 PolarHBondContact O-N 2.94Å; L1070-D1072 VanDerWaalsContact C-N 3.33Å; L1070-C1074 WeakPolarHBondContact O-CA 3.23Å; L1070-C1074 WeakPolarHBondContact O-CB 3.28Å; L1070-C1074 PolarHBondContact O-N 3.5Å |
| 1071 | A | 93.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1039 I1067 L1068 Y1069 R1087 V1090 Y1091 | L1039-A1071 HydrophobicContact CD2-CB 4.13Å; I1067-A1071 PolarHBondContact O-N 2.82Å; L1068-A1071 WeakPolarHBondContact O-CB 3.07Å; L1068-A1071 PolarHBondContact O-N 3.32Å; Y1069-A1071 VanDerWaalsContact C-N 3.28Å; Y1069-A1071 PolarHBondContact O-N 3.21Å; A1071-R1087 HydrophobicContact CB-CG 4.36Å; A1071-R1087 PolarHBondContact O-NE 3.2Å; A1071-V1090 HydrophobicContact CB-CB 4.31Å; A1071-V1090 HydrophobicContact CB-CG1 3.73Å; A1071-Y1091 HydrophobicContact CB-CD1 4.31Å; A1071-Y1091 HydrophobicContact CB-CE1 3.78Å |
| 1072 | D | 91.3 | Very high | 88 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.4 | -46.5 | 176.4 | -82.5 | 1.1 | 0 | 0 | 0 | 112.6 | L1068 Y1069 L1070 Y1091 R1109 | L1068-D1072 PolarHBondContact O-N 2.88Å; L1068-D1072 VanDerWaalsContact O-N 3.07Å; Y1069-D1072 WeakPolarHBondContact O-CB 3.44Å; Y1069-D1072 PolarHBondContact O-N 3.25Å; Y1069-D1072 VanDerWaalsContact O-N 3.11Å; L1070-D1072 VanDerWaalsContact C-N 3.33Å; D1072-Y1091 VanDerWaalsContact OD1-CE1 3.26Å; D1072-Y1091 WeakPolarHBondContact OD1-CE1 3.37Å; D1072-Y1091 VanDerWaalsContact OD1-CZ 3.28Å; D1072-Y1091 PolarHBondContact OD1-OH 2.86Å; D1072-R1109 IonicContact OD1-NE 3.32Å; D1072-R1109 IonicContact OD2-CZ 3.86Å; D1072-R1109 IonicContact OD2-NE 3.93Å; D1072-R1109 PolarHBondContact OD2-NE 3.37Å; D1072-R1109 IonicContact OD2-NH2 3.58Å |
| 1073 | V | 89.3 | Confident | 88.3 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -87.3 | -13.2 | -177.6 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | Y1069 W1075 | Y1069-V1073 HydrophobicContact CD1-CG1 4.4Å; Y1069-V1073 HydrophobicContact CD1-CG2 4.23Å; Y1069-V1073 HydrophobicContact CD2-CG1 4.08Å; Y1069-V1073 HydrophobicContact CE1-CG1 3.89Å; Y1069-V1073 HydrophobicContact CE1-CG2 3.93Å; Y1069-V1073 HydrophobicContact CE2-CG1 3.52Å; Y1069-V1073 HydrophobicContact CG-CG1 4.5Å; Y1069-V1073 VanDerWaalsContact CZ-CG1 3.42Å; Y1069-V1073 WeakPolarHBondContact O-CG2 3.44Å; Y1069-V1073 PolarHBondContact O-N 2.99Å; V1073-W1075 PolarHBondContact O-N 3.01Å |
| 1074 | C | 87.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -54.9 | 131.1 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | A1035 M1038 L1039 L1070 T1076 R1087 | A1035-C1074 VanDerWaalsContact CA-SG 3.53Å; A1035-C1074 WeakPolarHBondContact CB-SG 3.26Å; M1038-C1074 HydrophobicContact CE-CB 3.57Å; M1038-C1074 WeakPolarHBondContact CE-SG 3.38Å; L1039-C1074 HydrophobicContact CD2-CB 4.5Å; L1070-C1074 WeakPolarHBondContact O-CA 3.23Å; L1070-C1074 WeakPolarHBondContact O-CB 3.28Å; L1070-C1074 PolarHBondContact O-N 3.5Å; C1074-T1076 WeakPolarHBondContact O-CG2 3.5Å; C1074-T1076 PolarHBondContact O-N 3.13Å; C1074-R1087 PolarHBondContact O-NH2 3.39Å |
| 1075 | W | 81 | Confident | 88.8 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 19% | 0.186 | 26% | 0.263 | C | S | . | . | trans | -21.6 | 122.3 | 179.7 | 177.6 | 86.9 | 0 | 0 | 0 | 115.4 | S1029 K1032 A1035 V1073 E1077 N1080 V1083 R1087 | S1029-W1075 PolarHBondContact O-N 3.14Å; K1032-W1075 HydrophobicContact CB-CD2 3.99Å; K1032-W1075 HydrophobicContact CB-CG 4.28Å; K1032-W1075 HydrophobicContact CB-CH2 4.48Å; K1032-W1075 HydrophobicContact CB-CZ2 3.9Å; K1032-W1075 HydrophobicContact CD-CH2 3.69Å; K1032-W1075 HydrophobicContact CD-CZ2 3.32Å; K1032-W1075 VanDerWaalsContact CE-CH2 3.47Å; K1032-W1075 HydrophobicContact CG-CD2 4.12Å; K1032-W1075 HydrophobicContact CG-CE3 4.34Å; K1032-W1075 HydrophobicContact CG-CH2 3.63Å; K1032-W1075 HydrophobicContact CG-CZ2 3.42Å; K1032-W1075 VanDerWaalsContact CG-CZ2 3.42Å; K1032-W1075 HydrophobicContact CG-CZ3 4.14Å; A1035-W1075 HydrophobicContact CB-CB 4.14Å; A1035-W1075 HydrophobicContact CB-CE3 4.31Å; V1073-W1075 PolarHBondContact O-N 3.01Å; W1075-E1077 HydrophobicContact CE3-CB 4.26Å; W1075-E1077 HydrophobicContact CH2-CB 3.05Å; W1075-E1077 HydrophobicContact CH2-CG 3.91Å; W1075-E1077 WeakPolarHBondContact CH2-OE2 3.44Å; W1075-E1077 HydrophobicContact CZ2-CB 3.33Å; W1075-E1077 HydrophobicContact CZ2-CG 4.12Å; W1075-E1077 WeakPolarHBondContact CZ2-OE2 3.05Å; W1075-E1077 HydrophobicContact CZ3-CB 3.54Å; W1075-N1080 HydrophobicContact CH2-CB 4.2Å; W1075-N1080 HydrophobicContact CZ3-CB 3.97Å; W1075-V1083 HydrophobicContact CE3-CG1 4.46Å; W1075-V1083 HydrophobicContact CZ3-CG2 4.32Å; W1075-R1087 PolarHBondContact O-NH2 3.3Å | ||
| 1076 | T | 74.5 | Confident | 89 | Confident | 105 Ų | 105 | 48.3 Ų | 48.3 | 64% | 0.644 | 25% | 0.247 | S | C | * | . | trans | -110 | 83.1 | -166.7 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | C1074 | C1074-T1076 WeakPolarHBondContact O-CG2 3.5Å; C1074-T1076 PolarHBondContact O-N 3.13Å | ||
| 1077 | E | 77.2 | Confident | 89.1 | Confident | 76 Ų | 76 | 45.3 Ų | 45.3 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | trans | -105.9 | 116.8 | 164.9 | -169 | 178.6 | 162.7 | 0 | 0 | 110.2 | K1032 W1075 K1079 N1080 | K1032-E1077 IonicContact NZ-OE2 3.32Å; K1032-E1077 PolarHBondContact NZ-OE2 2.78Å; W1075-E1077 HydrophobicContact CE3-CB 4.26Å; W1075-E1077 HydrophobicContact CH2-CB 3.05Å; W1075-E1077 HydrophobicContact CH2-CG 3.91Å; W1075-E1077 WeakPolarHBondContact CH2-OE2 3.44Å; W1075-E1077 HydrophobicContact CZ2-CB 3.33Å; W1075-E1077 HydrophobicContact CZ2-CG 4.12Å; W1075-E1077 WeakPolarHBondContact CZ2-OE2 3.05Å; W1075-E1077 HydrophobicContact CZ3-CB 3.54Å; E1077-K1079 PolarHBondContact O-N 3.37Å; E1077-N1080 PolarHBondContact O-N 3.14Å | ||
| 1078 | A | 74.7 | Confident | 89.2 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1079 | K | 83.5 | Confident | 89.3 | Confident | 156 Ų | 156 | 44.7 Ų | 44.7 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -3.4 | -176.2 | -62.6 | -173.4 | -179.4 | -177.6 | 0 | 114.6 | E1077 I1081 F1118 | E1077-K1079 PolarHBondContact O-N 3.37Å; K1079-I1081 PolarHBondContact O-N 3.35Å; K1079-F1118 HydrophobicContact CB-CE2 4.36Å; K1079-F1118 HydrophobicContact CG-CE2 4.35Å; K1079-F1118 HydrophobicContact CG-CZ 4.18Å |
| 1080 | N | 87.6 | Confident | 89.4 | Confident | 42 Ų | 42 | 38 Ų | 38 | 23% | 0.225 | 21% | 0.206 | C | C | . | . | trans | -89.5 | 87.1 | -176.5 | -170.1 | -20 | 0 | 0 | 0 | 111.5 | W1075 E1077 P1082 V1083 L1084 | W1075-N1080 HydrophobicContact CH2-CB 4.2Å; W1075-N1080 HydrophobicContact CZ3-CB 3.97Å; E1077-N1080 PolarHBondContact O-N 3.14Å; N1080-P1082 WeakPolarHBondContact OD1-CD 3.29Å; N1080-V1083 HydrophobicContact CB-CB 4.21Å; N1080-V1083 HydrophobicContact CB-CG2 4.33Å; N1080-V1083 WeakPolarHBondContact ND2-CG2 3.45Å; N1080-V1083 PolarHBondContact O-N 3.4Å; N1080-V1083 VanDerWaalsContact O-N 3.08Å; N1080-L1084 WeakPolarHBondContact O-CG 3.26Å; N1080-L1084 PolarHBondContact O-N 2.68Å; N1080-L1084 VanDerWaalsContact O-N 3.08Å | ||
| 1081 | I | 91.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 38.1 Ų | 38.1 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -49.6 | -52.9 | -173.6 | -66 | 170.2 | 0 | 0 | 0 | 113.1 | K1079 V1083 L1084 E1085 F1118 I1121 | K1079-I1081 PolarHBondContact O-N 3.35Å; I1081-V1083 VanDerWaalsContact C-N 3.28Å; I1081-V1083 PolarHBondContact O-N 3.23Å; I1081-L1084 WeakPolarHBondContact O-CB 3.33Å; I1081-L1084 PolarHBondContact O-N 3.42Å; I1081-E1085 HydrophobicContact CG2-CG 4.15Å; I1081-E1085 WeakPolarHBondContact CG2-OE1 3.42Å; I1081-E1085 WeakPolarHBondContact O-CG 3.23Å; I1081-E1085 PolarHBondContact O-N 3.17Å; I1081-F1118 HydrophobicContact CG1-CD2 4.3Å; I1081-I1121 HydrophobicContact CB-CD1 4.25Å; I1081-I1121 HydrophobicContact CG1-CD1 4.23Å; I1081-I1121 HydrophobicContact CG2-CD1 3.85Å |
| 1082 | P | 91.6 | Very high | 89.4 | Confident | 55 Ų | 55 | 38.1 Ų | 38.1 | 36% | 0.357 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.1 | -35.5 | 179.9 | -28 | 34.5 | 0 | 0 | 0 | 114.9 | L1036 N1080 A1086 | L1036-P1082 HydrophobicContact CD1-CB 4.27Å; L1036-P1082 VanDerWaalsContact CD1-O 3.3Å; L1036-P1082 WeakPolarHBondContact CD1-O 2.92Å; L1036-P1082 HydrophobicContact CD2-CB 3.92Å; N1080-P1082 WeakPolarHBondContact OD1-CD 3.29Å; P1082-A1086 WeakPolarHBondContact O-CB 3.38Å; P1082-A1086 PolarHBondContact O-N 2.85Å |
| 1083 | V | 92.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.1 | -40.5 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L1036 L1039 W1075 N1080 I1081 R1087 | L1036-V1083 HydrophobicContact CB-CG2 3.97Å; L1039-V1083 HydrophobicContact CD1-CG1 3.88Å; L1039-V1083 WeakPolarHBondContact CD1-O 3.33Å; W1075-V1083 HydrophobicContact CE3-CG1 4.46Å; W1075-V1083 HydrophobicContact CZ3-CG2 4.32Å; N1080-V1083 HydrophobicContact CB-CB 4.21Å; N1080-V1083 HydrophobicContact CB-CG2 4.33Å; N1080-V1083 WeakPolarHBondContact ND2-CG2 3.45Å; N1080-V1083 PolarHBondContact O-N 3.4Å; N1080-V1083 VanDerWaalsContact O-N 3.08Å; I1081-V1083 VanDerWaalsContact C-N 3.28Å; I1081-V1083 PolarHBondContact O-N 3.23Å; V1083-R1087 VanDerWaalsContact O-CB 3.26Å; V1083-R1087 WeakPolarHBondContact O-CB 3.37Å; V1083-R1087 PolarHBondContact O-N 2.88Å |
| 1084 | L | 93.8 | Very high | 89.4 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | 177.2 | -61.4 | 179 | 0 | 0 | 0 | 111.4 | N1080 I1081 R1087 I1088 Y1113 I1121 | N1080-L1084 WeakPolarHBondContact O-CG 3.26Å; N1080-L1084 PolarHBondContact O-N 2.68Å; N1080-L1084 VanDerWaalsContact O-N 3.08Å; I1081-L1084 WeakPolarHBondContact O-CB 3.33Å; I1081-L1084 PolarHBondContact O-N 3.42Å; L1084-R1087 PolarHBondContact O-N 3.04Å; L1084-I1088 WeakPolarHBondContact O-CD1 3.46Å; L1084-I1088 VanDerWaalsContact O-CG1 3.28Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.29Å; L1084-I1088 PolarHBondContact O-N 3.13Å; L1084-Y1113 HydrophobicContact CB-CE1 4.45Å; L1084-Y1113 HydrophobicContact CD2-CE1 4.02Å; L1084-I1121 HydrophobicContact CB-CD1 3.78Å; L1084-I1121 HydrophobicContact CD1-CD1 4.01Å; L1084-I1121 HydrophobicContact CD1-CG1 4.07Å |
| 1085 | E | 94.8 | Very high | 89.5 | Confident | 50 Ų | 50 | 33.9 Ų | 33.9 | 23% | 0.234 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.9 | -51.8 | 175.9 | -71.3 | 177.8 | 168 | 0 | 0 | 111.4 | I1081 R1087 I1088 S1089 I1121 Y1124 | I1081-E1085 HydrophobicContact CG2-CG 4.15Å; I1081-E1085 WeakPolarHBondContact CG2-OE1 3.42Å; I1081-E1085 WeakPolarHBondContact O-CG 3.23Å; I1081-E1085 PolarHBondContact O-N 3.17Å; E1085-R1087 VanDerWaalsContact C-N 3.26Å; E1085-R1087 PolarHBondContact O-N 2.97Å; E1085-I1088 WeakPolarHBondContact O-CB 3.37Å; E1085-I1088 PolarHBondContact O-N 2.49Å; E1085-I1088 VanDerWaalsContact O-N 3.15Å; E1085-S1089 PolarHBondContact O-N 3.24Å; E1085-I1121 HydrophobicContact CG-CD1 4.2Å; E1085-Y1124 HydrophobicContact CB-CD1 3.94Å; E1085-Y1124 HydrophobicContact CB-CD2 4.37Å; E1085-Y1124 HydrophobicContact CB-CE1 3.63Å; E1085-Y1124 HydrophobicContact CB-CE2 4.07Å; E1085-Y1124 HydrophobicContact CB-CG 4.3Å; E1085-Y1124 HydrophobicContact CG-CD1 3.85Å; E1085-Y1124 HydrophobicContact CG-CD2 3.87Å; E1085-Y1124 HydrophobicContact CG-CE1 4.04Å; E1085-Y1124 HydrophobicContact CG-CE2 4.04Å; E1085-Y1124 HydrophobicContact CG-CG 3.77Å; E1085-Y1124 VanDerWaalsContact O-CE1 3.25Å; E1085-Y1124 WeakPolarHBondContact O-CE1 3.32Å |
| 1086 | A | 94.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -34.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1036 L1039 R1040 P1082 S1089 V1090 | L1036-A1086 HydrophobicContact CD1-CB 3.67Å; L1039-A1086 HydrophobicContact CB-CB 3.73Å; L1039-A1086 HydrophobicContact CD1-CB 4.28Å; R1040-A1086 HydrophobicContact CG-CB 4.37Å; P1082-A1086 WeakPolarHBondContact O-CB 3.38Å; P1082-A1086 PolarHBondContact O-N 2.85Å; A1086-S1089 PolarHBondContact O-N 3.11Å; A1086-V1090 WeakPolarHBondContact O-CG2 3.23Å; A1086-V1090 PolarHBondContact O-N 3.03Å; A1086-V1090 VanDerWaalsContact O-N 3.1Å |
| 1087 | R | 95.4 | Very high | 89.3 | Confident | 13 Ų | 13 | 30 Ų | 30 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -44 | 175.3 | -174.3 | -173.3 | -76.2 | 151.5 | 6.5 | 111.6 | L1039 A1071 C1074 W1075 V1083 L1084 E1085 S1089 V1090 Y1091 Y1113 | L1039-R1087 HydrophobicContact CD1-CB 4.06Å; L1039-R1087 HydrophobicContact CD2-CB 4.37Å; A1071-R1087 HydrophobicContact CB-CG 4.36Å; A1071-R1087 PolarHBondContact O-NE 3.2Å; C1074-R1087 PolarHBondContact O-NH2 3.39Å; W1075-R1087 PolarHBondContact O-NH2 3.3Å; V1083-R1087 VanDerWaalsContact O-CB 3.26Å; V1083-R1087 WeakPolarHBondContact O-CB 3.37Å; V1083-R1087 PolarHBondContact O-N 2.88Å; L1084-R1087 PolarHBondContact O-N 3.04Å; E1085-R1087 VanDerWaalsContact C-N 3.26Å; E1085-R1087 PolarHBondContact O-N 2.97Å; R1087-S1089 VanDerWaalsContact C-N 3.31Å; R1087-S1089 PolarHBondContact O-N 2.58Å; R1087-V1090 PolarHBondContact O-N 2.85Å; R1087-Y1091 WeakPolarHBondContact CD-OH 3.49Å; R1087-Y1091 HydrophobicContact CG-CD2 4.14Å; R1087-Y1091 HydrophobicContact CG-CE1 4.35Å; R1087-Y1091 HydrophobicContact CG-CE2 3.46Å; R1087-Y1091 VanDerWaalsContact CG-CE2 3.46Å; R1087-Y1091 WeakPolarHBondContact O-CD2 3.2Å; R1087-Y1091 PolarHBondContact O-N 2.95Å; R1087-Y1113 WeakPolarHBondContact CD-OH 3.35Å; R1087-Y1113 PolarHBondContact NH1-OH 3.08Å |
| 1088 | I | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.3 | -71.7 | 160.6 | 0 | 0 | 0 | 110.3 | L1084 E1085 V1090 Y1091 C1092 Y1113 I1121 Y1124 A1125 R1128 | L1084-I1088 WeakPolarHBondContact O-CD1 3.46Å; L1084-I1088 VanDerWaalsContact O-CG1 3.28Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.29Å; L1084-I1088 PolarHBondContact O-N 3.13Å; E1085-I1088 WeakPolarHBondContact O-CB 3.37Å; E1085-I1088 PolarHBondContact O-N 2.49Å; E1085-I1088 VanDerWaalsContact O-N 3.15Å; I1088-V1090 VanDerWaalsContact C-N 3.32Å; I1088-V1090 PolarHBondContact O-N 3.05Å; I1088-Y1091 WeakPolarHBondContact O-CB 3.44Å; I1088-Y1091 PolarHBondContact O-N 3.43Å; I1088-Y1091 VanDerWaalsContact O-N 3.15Å; I1088-C1092 PolarHBondContact O-N 3.24Å; I1088-C1092 PolarHBondContact O-SG 3.31Å; I1088-Y1113 HydrophobicContact CD1-CD1 3.81Å; I1088-Y1113 HydrophobicContact CD1-CD2 4.34Å; I1088-Y1113 HydrophobicContact CD1-CE1 4.39Å; I1088-Y1113 HydrophobicContact CD1-CG 3.75Å; I1088-Y1113 HydrophobicContact CG1-CD1 4.1Å; I1088-Y1113 HydrophobicContact CG1-CD2 3.79Å; I1088-Y1113 HydrophobicContact CG1-CE1 4.46Å; I1088-Y1113 HydrophobicContact CG1-CE2 4.23Å; I1088-Y1113 HydrophobicContact CG1-CG 3.72Å; I1088-I1121 HydrophobicContact CD1-CG2 3.79Å; I1088-Y1124 HydrophobicContact CB-CD1 4.24Å; I1088-Y1124 HydrophobicContact CB-CE1 4.29Å; I1088-Y1124 HydrophobicContact CD1-CD1 4.22Å; I1088-Y1124 HydrophobicContact CG2-CD1 4.01Å; I1088-Y1124 HydrophobicContact CG2-CE1 4.2Å; I1088-A1125 HydrophobicContact CD1-CB 4.08Å; I1088-A1125 HydrophobicContact CG2-CB 4.19Å; I1088-R1128 HydrophobicContact CG2-CB 4.29Å |
| 1089 | S | 95.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 175.8 | -69.7 | 0 | 0 | 0 | 0 | 112.8 | E1043 E1085 A1086 R1087 Y1091 C1092 G1093 Y1124 | E1043-S1089 WeakPolarHBondContact OE1-CB 3.3Å; E1043-S1089 PolarHBondContact OE1-OG 3.08Å; E1085-S1089 PolarHBondContact O-N 3.24Å; A1086-S1089 PolarHBondContact O-N 3.11Å; R1087-S1089 VanDerWaalsContact C-N 3.31Å; R1087-S1089 PolarHBondContact O-N 2.58Å; S1089-Y1091 VanDerWaalsContact C-N 3.35Å; S1089-C1092 PolarHBondContact O-N 3.43Å; S1089-G1093 PolarHBondContact O-N 3.41Å; S1089-Y1124 PolarHBondContact OG-OH 3.2Å; S1089-Y1124 VanDerWaalsContact OG-OH 3.09Å |
| 1090 | V | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 111 | L1039 L1042 E1043 L1046 I1067 A1071 A1086 R1087 I1088 G1093 C1094 | L1039-V1090 HydrophobicContact CB-CG2 4.45Å; L1039-V1090 HydrophobicContact CD2-CG2 4.18Å; L1039-V1090 VanDerWaalsContact O-CG2 3.26Å; L1039-V1090 WeakPolarHBondContact O-CG2 3.19Å; L1042-V1090 HydrophobicContact CB-CG1 4.43Å; L1042-V1090 HydrophobicContact CB-CG2 3.9Å; E1043-V1090 HydrophobicContact CB-CG2 4.11Å; L1046-V1090 HydrophobicContact CD1-CB 4.43Å; L1046-V1090 HydrophobicContact CD1-CG1 3.88Å; L1046-V1090 WeakPolarHBondContact CD1-O 3.32Å; I1067-V1090 HydrophobicContact CG2-CG1 3.99Å; A1071-V1090 HydrophobicContact CB-CB 4.31Å; A1071-V1090 HydrophobicContact CB-CG1 3.73Å; A1086-V1090 WeakPolarHBondContact O-CG2 3.23Å; A1086-V1090 PolarHBondContact O-N 3.03Å; A1086-V1090 VanDerWaalsContact O-N 3.1Å; R1087-V1090 PolarHBondContact O-N 2.85Å; I1088-V1090 VanDerWaalsContact C-N 3.32Å; I1088-V1090 PolarHBondContact O-N 3.05Å; V1090-G1093 PolarHBondContact O-N 2.89Å; V1090-C1094 PolarHBondContact O-N 3.11Å; V1090-C1094 PolarHBondContact O-SG 3.49Å; V1090-C1094 VanDerWaalsContact O-SG 3.42Å |
| 1091 | Y | 95.4 | Very high | 88.8 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 174.4 | -63.3 | -35.9 | 0 | 0 | 0 | 111.9 | L1068 A1071 D1072 R1087 I1088 S1089 G1093 C1094 A1106 R1109 T1110 Y1113 | L1068-Y1091 HydrophobicContact CD1-CD1 3.45Å; L1068-Y1091 VanDerWaalsContact CD1-CD1 3.45Å; L1068-Y1091 HydrophobicContact CD1-CE1 3.74Å; A1071-Y1091 HydrophobicContact CB-CD1 4.31Å; A1071-Y1091 HydrophobicContact CB-CE1 3.78Å; D1072-Y1091 VanDerWaalsContact OD1-CE1 3.26Å; D1072-Y1091 WeakPolarHBondContact OD1-CE1 3.37Å; D1072-Y1091 VanDerWaalsContact OD1-CZ 3.28Å; D1072-Y1091 PolarHBondContact OD1-OH 2.86Å; R1087-Y1091 WeakPolarHBondContact CD-OH 3.49Å; R1087-Y1091 HydrophobicContact CG-CD2 4.14Å; R1087-Y1091 HydrophobicContact CG-CE1 4.35Å; R1087-Y1091 HydrophobicContact CG-CE2 3.46Å; R1087-Y1091 VanDerWaalsContact CG-CE2 3.46Å; R1087-Y1091 WeakPolarHBondContact O-CD2 3.2Å; R1087-Y1091 PolarHBondContact O-N 2.95Å; I1088-Y1091 WeakPolarHBondContact O-CB 3.44Å; I1088-Y1091 PolarHBondContact O-N 3.43Å; I1088-Y1091 VanDerWaalsContact O-N 3.15Å; S1089-Y1091 VanDerWaalsContact C-N 3.35Å; Y1091-G1093 VanDerWaalsContact C-N 3.3Å; Y1091-G1093 PolarHBondContact O-N 3.41Å; Y1091-C1094 WeakPolarHBondContact O-CB 3.26Å; Y1091-C1094 PolarHBondContact O-N 3.36Å; Y1091-A1106 WeakPolarHBondContact O-CB 3.28Å; Y1091-R1109 HydrophobicContact CD1-CB 3.95Å; Y1091-R1109 HydrophobicContact CD1-CG 4.45Å; Y1091-R1109 HydrophobicContact CD2-CB 3.82Å; Y1091-R1109 HydrophobicContact CE1-CB 4.01Å; Y1091-R1109 HydrophobicContact CE1-CG 4.18Å; Y1091-R1109 HydrophobicContact CE2-CB 3.91Å; Y1091-R1109 HydrophobicContact CG-CB 3.84Å; Y1091-T1110 VanDerWaalsContact CB-OG1 3.25Å; Y1091-T1110 WeakPolarHBondContact CB-OG1 3.26Å; Y1091-Y1113 HydrophobicContact CD2-CE2 4.18Å; Y1091-Y1113 HydrophobicContact CE2-CD2 4.49Å; Y1091-Y1113 AromaticContact CE2-CE2 3.73Å; Y1091-Y1113 HydrophobicContact CE2-CE2 3.73Å |
| 1092 | C | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 177 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | I1088 S1089 C1094 I1095 T1110 H1132 | I1088-C1092 PolarHBondContact O-N 3.24Å; I1088-C1092 PolarHBondContact O-SG 3.31Å; S1089-C1092 PolarHBondContact O-N 3.43Å; C1092-C1094 PolarHBondContact O-N 3Å; C1092-I1095 WeakPolarHBondContact O-CB 3.35Å; C1092-I1095 WeakPolarHBondContact O-CG1 3.29Å; C1092-I1095 PolarHBondContact O-N 3.47Å; C1092-T1110 VanDerWaalsContact SG-CG2 3.55Å; C1092-H1132 VanDerWaalsContact C-CD2 3.43Å; C1092-H1132 HydrophobicContact CB-CB 4.2Å; C1092-H1132 PolarHBondContact O-CD2 3.13Å; C1092-H1132 VanDerWaalsContact O-CD2 3.29Å |
| 1093 | G | 90.8 | Very high | 88.5 | Confident | 6 Ų | 6 | 32 Ų | 32 | 6% | 0.062 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -18.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1089 V1090 Y1091 | S1089-G1093 PolarHBondContact O-N 3.41Å; V1090-G1093 PolarHBondContact O-N 2.89Å; Y1091-G1093 VanDerWaalsContact C-N 3.3Å; Y1091-G1093 PolarHBondContact O-N 3.41Å |
| 1094 | C | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3.7 | 172.9 | -71 | 0 | 0 | 0 | 0 | 113.7 | L1068 V1090 Y1091 C1092 L1096 L1102 A1106 | L1068-C1094 HydrophobicContact CD1-CB 4.45Å; V1090-C1094 PolarHBondContact O-N 3.11Å; V1090-C1094 PolarHBondContact O-SG 3.49Å; V1090-C1094 VanDerWaalsContact O-SG 3.42Å; Y1091-C1094 WeakPolarHBondContact O-CB 3.26Å; Y1091-C1094 PolarHBondContact O-N 3.36Å; C1092-C1094 PolarHBondContact O-N 3Å; C1094-L1096 PolarHBondContact O-N 2.97Å; C1094-L1096 VanDerWaalsContact O-N 3.1Å; C1094-L1102 HydrophobicContact CB-CD2 4.36Å; C1094-L1102 HydrophobicContact CB-CG 4.33Å; C1094-A1106 HydrophobicContact CB-CB 3.78Å |
| 1095 | I | 88.3 | Confident | 88.1 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.046 | 17% | 0.166 | C | C | . | . | trans | -80 | 88.3 | 175.6 | -53.4 | 175.5 | 0 | 0 | 0 | 108.4 | C1092 A1103 A1106 I1107 L1129 L1133 I1136 | C1092-I1095 WeakPolarHBondContact O-CB 3.35Å; C1092-I1095 WeakPolarHBondContact O-CG1 3.29Å; C1092-I1095 PolarHBondContact O-N 3.47Å; I1095-A1103 HydrophobicContact CG2-CB 4.37Å; I1095-A1106 HydrophobicContact CG1-CB 3.76Å; I1095-I1107 HydrophobicContact CD1-CG1 3.71Å; I1095-I1107 HydrophobicContact CG1-CG1 3.95Å; I1095-I1107 HydrophobicContact CG2-CD1 3.99Å; I1095-I1107 HydrophobicContact CG2-CG1 3.97Å; I1095-L1129 HydrophobicContact CD1-CD1 3.59Å; I1095-L1133 HydrophobicContact CG2-CD2 4.48Å; I1095-I1136 HydrophobicContact CB-CD1 4.28Å; I1095-I1136 HydrophobicContact CG2-CD1 3.81Å; I1095-I1136 WeakPolarHBondContact O-CD1 3.46Å | ||
| 1096 | L | 81.9 | Confident | 88 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 13% | 0.131 | 16% | 0.155 | C | C | . | . | trans | -113 | 131.2 | -177.7 | -61.6 | 171 | 0 | 0 | 0 | 111.4 | L1064 C1094 F1098 R1099 | L1064-L1096 HydrophobicContact CD1-CD1 3.72Å; L1064-L1096 HydrophobicContact CD2-CD1 4.49Å; C1094-L1096 PolarHBondContact O-N 2.97Å; C1094-L1096 VanDerWaalsContact O-N 3.1Å; L1096-F1098 VanDerWaalsContact C-N 3.3Å; L1096-F1098 PolarHBondContact O-N 3.21Å; L1096-R1099 HydrophobicContact CB-CB 4.36Å; L1096-R1099 PolarHBondContact O-N 3.44Å; L1096-R1099 VanDerWaalsContact O-N 3.11Å | ||
| 1097 | P | 69.4 | Low | 87.8 | Confident | 47 Ų | 47 | 34.8 Ų | 34.8 | 31% | 0.305 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -35 | -172.7 | 20.3 | -30.8 | 0 | 0 | 0 | 113.6 | R1099 I1136 | P1097-R1099 VanDerWaalsContact C-N 3.3Å; P1097-R1099 PolarHBondContact O-N 2.97Å; P1097-I1136 HydrophobicContact CB-CG2 3.67Å; P1097-I1136 HydrophobicContact CG-CG2 3.67Å |
| 1098 | F | 71.9 | Confident | 87.7 | Confident | 118 Ų | 118 | 37.9 Ų | 37.9 | 52% | 0.518 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 3.2 | -177.7 | -54.4 | -83.1 | 0 | 0 | 0 | 114.2 | D1053 L1096 | D1053-F1098 HydrophobicContact CB-CD2 3.79Å; D1053-F1098 HydrophobicContact CB-CE2 3.7Å; D1053-F1098 HydrophobicContact CB-CZ 4.37Å; D1053-F1098 WeakPolarHBondContact OD1-CD2 3.48Å; D1053-F1098 VanDerWaalsContact OD1-CE2 3.28Å; D1053-F1098 WeakPolarHBondContact OD1-CE2 3.49Å; D1053-F1098 WeakPolarHBondContact OD2-CE2 3.37Å; L1096-F1098 VanDerWaalsContact C-N 3.3Å; L1096-F1098 PolarHBondContact O-N 3.21Å |
| 1099 | R | 78.6 | Confident | 87.6 | Confident | 60 Ų | 60 | 42.4 Ų | 42.4 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | trans | -130.4 | 62.2 | -175.6 | -61.4 | -64.4 | -175 | -143.5 | 9.5 | 111.4 | Q1056 T1061 L1096 P1097 R1101 L1102 A1103 | Q1056-R1099 PolarHBondContact O-NH2 3.38Å; T1061-R1099 PolarHBondContact OG1-NE 2.92Å; T1061-R1099 PolarHBondContact OG1-NH2 2.99Å; L1096-R1099 HydrophobicContact CB-CB 4.36Å; L1096-R1099 PolarHBondContact O-N 3.44Å; L1096-R1099 VanDerWaalsContact O-N 3.11Å; P1097-R1099 VanDerWaalsContact C-N 3.3Å; P1097-R1099 PolarHBondContact O-N 2.97Å; R1099-R1101 VanDerWaalsContact C-N 3.32Å; R1099-R1101 PolarHBondContact O-N 3.35Å; R1099-R1101 VanDerWaalsContact O-N 3.11Å; R1099-L1102 HydrophobicContact CB-CB 4.12Å; R1099-L1102 HydrophobicContact CB-CD2 4.48Å; R1099-L1102 PolarHBondContact O-N 2.95Å; R1099-A1103 PolarHBondContact O-N 3.49Å | ||
| 1100 | R | 78.9 | Confident | 87.5 | Confident | 137 Ų | 137 | 42.3 Ų | 42.3 | 52% | 0.517 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -43.5 | -47.5 | -175.2 | -65.1 | -176.5 | 179.8 | -159.6 | -9.7 | 115 | A1103 S1104 V1178 S1179 A1180 | R1100-A1103 PolarHBondContact O-N 3.22Å; R1100-S1104 WeakPolarHBondContact O-CB 3.47Å; R1100-S1104 PolarHBondContact O-N 3.47Å; R1100-V1178 HydrophobicContact CB-CG1 4.33Å; R1100-S1179 PolarHBondContact NH1-O 2.79Å; R1100-A1180 VanDerWaalsContact NH2-C 3.32Å; R1100-A1180 PolarHBondContact NH2-O 3.42Å; R1100-A1180 PolarHBondContact NH2-OXT 3.32Å |
| 1101 | R | 84.8 | Confident | 87.4 | Confident | 178 Ų | 178 | 42.4 Ų | 42.4 | 67% | 0.672 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.2 | -46.9 | -179.7 | -173.5 | 179.9 | -174.8 | -174.2 | -0.4 | 112.2 | R1099 F1105 | R1099-R1101 VanDerWaalsContact C-N 3.32Å; R1099-R1101 PolarHBondContact O-N 3.35Å; R1099-R1101 VanDerWaalsContact O-N 3.11Å; R1101-F1105 HydrophobicContact CG-CD2 4.14Å; R1101-F1105 HydrophobicContact CG-CE2 3.66Å; R1101-F1105 WeakPolarHBondContact O-CD2 3.44Å; R1101-F1105 PolarHBondContact O-N 3.02Å |
| 1102 | L | 87.8 | Confident | 87.4 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -46.5 | 177.8 | -178.5 | 74.3 | 0 | 0 | 0 | 110.7 | L1064 E1065 L1068 C1094 R1099 S1104 F1105 A1106 | L1064-L1102 HydrophobicContact CB-CD2 3.6Å; L1064-L1102 HydrophobicContact CD1-CD2 4.14Å; L1064-L1102 HydrophobicContact CG-CD2 4.43Å; E1065-L1102 HydrophobicContact CG-CD1 4.19Å; L1068-L1102 HydrophobicContact CB-CD1 4.18Å; L1068-L1102 HydrophobicContact CD2-CD1 3.74Å; C1094-L1102 HydrophobicContact CB-CD2 4.36Å; C1094-L1102 HydrophobicContact CB-CG 4.33Å; R1099-L1102 HydrophobicContact CB-CB 4.12Å; R1099-L1102 HydrophobicContact CB-CD2 4.48Å; R1099-L1102 PolarHBondContact O-N 2.95Å; L1102-S1104 VanDerWaalsContact C-N 3.32Å; L1102-S1104 PolarHBondContact O-N 3.17Å; L1102-F1105 PolarHBondContact O-N 3.48Å; L1102-A1106 WeakPolarHBondContact O-CB 3.38Å; L1102-A1106 PolarHBondContact O-N 2.66Å |
| 1103 | A | 87.2 | Confident | 87.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1095 R1099 R1100 A1106 I1107 | I1095-A1103 HydrophobicContact CG2-CB 4.37Å; R1099-A1103 PolarHBondContact O-N 3.49Å; R1100-A1103 PolarHBondContact O-N 3.22Å; A1103-A1106 PolarHBondContact O-N 3.15Å; A1103-I1107 WeakPolarHBondContact O-CB 3.39Å; A1103-I1107 WeakPolarHBondContact O-CD1 3.5Å; A1103-I1107 VanDerWaalsContact O-CG1 3.22Å; A1103-I1107 WeakPolarHBondContact O-CG1 3.28Å; A1103-I1107 PolarHBondContact O-N 2.65Å |
| 1104 | S | 88.1 | Confident | 87.6 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 22% | 0.217 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | R1100 L1102 Q1108 | R1100-S1104 WeakPolarHBondContact O-CB 3.47Å; R1100-S1104 PolarHBondContact O-N 3.47Å; L1102-S1104 VanDerWaalsContact C-N 3.32Å; L1102-S1104 PolarHBondContact O-N 3.17Å; S1104-Q1108 WeakPolarHBondContact O-CG 3.44Å; S1104-Q1108 PolarHBondContact O-N 3.34Å; S1104-Q1108 VanDerWaalsContact O-N 3.07Å |
| 1105 | F | 90.9 | Very high | 87.8 | Confident | 83 Ų | 83 | 47 Ų | 47 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.3 | -71.1 | -56.7 | 0 | 0 | 0 | 112.3 | L1068 R1101 L1102 Q1108 R1109 | L1068-F1105 HydrophobicContact CD2-CB 3.84Å; R1101-F1105 HydrophobicContact CG-CD2 4.14Å; R1101-F1105 HydrophobicContact CG-CE2 3.66Å; R1101-F1105 WeakPolarHBondContact O-CD2 3.44Å; R1101-F1105 PolarHBondContact O-N 3.02Å; L1102-F1105 PolarHBondContact O-N 3.48Å; F1105-Q1108 PolarHBondContact O-N 2.92Å; F1105-R1109 VanDerWaalsContact O-CG 3.28Å; F1105-R1109 WeakPolarHBondContact O-CG 3.28Å; F1105-R1109 PolarHBondContact O-N 3.09Å |
| 1106 | A | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y1091 C1094 I1095 L1102 A1103 Q1108 R1109 T1110 | Y1091-A1106 WeakPolarHBondContact O-CB 3.28Å; C1094-A1106 HydrophobicContact CB-CB 3.78Å; I1095-A1106 HydrophobicContact CG1-CB 3.76Å; L1102-A1106 WeakPolarHBondContact O-CB 3.38Å; L1102-A1106 PolarHBondContact O-N 2.66Å; A1103-A1106 PolarHBondContact O-N 3.15Å; A1106-Q1108 PolarHBondContact O-N 3.22Å; A1106-R1109 PolarHBondContact O-N 2.95Å; A1106-T1110 PolarHBondContact O-N 3.16Å; A1106-T1110 PolarHBondContact O-OG1 3.08Å |
| 1107 | I | 91.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 175.4 | -74.1 | 163 | 0 | 0 | 0 | 110.7 | I1095 A1103 R1109 T1110 L1111 L1174 V1178 | I1095-I1107 HydrophobicContact CD1-CG1 3.71Å; I1095-I1107 HydrophobicContact CG1-CG1 3.95Å; I1095-I1107 HydrophobicContact CG2-CD1 3.99Å; I1095-I1107 HydrophobicContact CG2-CG1 3.97Å; A1103-I1107 WeakPolarHBondContact O-CB 3.39Å; A1103-I1107 WeakPolarHBondContact O-CD1 3.5Å; A1103-I1107 VanDerWaalsContact O-CG1 3.22Å; A1103-I1107 WeakPolarHBondContact O-CG1 3.28Å; A1103-I1107 PolarHBondContact O-N 2.65Å; I1107-R1109 VanDerWaalsContact C-N 3.29Å; I1107-R1109 PolarHBondContact O-N 3.39Å; I1107-T1110 PolarHBondContact O-N 3.43Å; I1107-L1111 HydrophobicContact CG2-CD1 3.51Å; I1107-L1111 HydrophobicContact CG2-CG 4.09Å; I1107-L1111 WeakPolarHBondContact O-CB 3.43Å; I1107-L1111 VanDerWaalsContact O-CG 3.23Å; I1107-L1111 WeakPolarHBondContact O-CG 3.19Å; I1107-L1111 PolarHBondContact O-N 2.84Å; I1107-L1174 HydrophobicContact CG2-CB 3.97Å; I1107-L1174 HydrophobicContact CG2-CD1 3.97Å; I1107-V1178 HydrophobicContact CD1-CG2 3.46Å; I1107-V1178 VanDerWaalsContact CD1-CG2 3.46Å |
| 1108 | Q | 92.2 | Very high | 89.7 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.3 | -40.3 | 178.3 | -73.4 | 177.3 | 1.8 | 0 | 0 | 112.3 | S1104 F1105 A1106 S1112 | S1104-Q1108 WeakPolarHBondContact O-CG 3.44Å; S1104-Q1108 PolarHBondContact O-N 3.34Å; S1104-Q1108 VanDerWaalsContact O-N 3.07Å; F1105-Q1108 PolarHBondContact O-N 2.92Å; A1106-Q1108 PolarHBondContact O-N 3.22Å; Q1108-S1112 PolarHBondContact O-N 3.39Å |
| 1109 | R | 93.7 | Very high | 90.7 | Very high | 94 Ų | 94 | 49 Ų | 49 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66 | -47.3 | 176.8 | -66.7 | -68.2 | -178.5 | -96.5 | -1.1 | 111.4 | D1072 Y1091 F1105 A1106 I1107 S1112 Y1113 | D1072-R1109 IonicContact OD1-NE 3.32Å; D1072-R1109 IonicContact OD2-CZ 3.86Å; D1072-R1109 IonicContact OD2-NE 3.93Å; D1072-R1109 PolarHBondContact OD2-NE 3.37Å; D1072-R1109 IonicContact OD2-NH2 3.58Å; Y1091-R1109 HydrophobicContact CD1-CB 3.95Å; Y1091-R1109 HydrophobicContact CD1-CG 4.45Å; Y1091-R1109 HydrophobicContact CD2-CB 3.82Å; Y1091-R1109 HydrophobicContact CE1-CB 4.01Å; Y1091-R1109 HydrophobicContact CE1-CG 4.18Å; Y1091-R1109 HydrophobicContact CE2-CB 3.91Å; Y1091-R1109 HydrophobicContact CG-CB 3.84Å; F1105-R1109 VanDerWaalsContact O-CG 3.28Å; F1105-R1109 WeakPolarHBondContact O-CG 3.28Å; F1105-R1109 PolarHBondContact O-N 3.09Å; A1106-R1109 PolarHBondContact O-N 2.95Å; I1107-R1109 VanDerWaalsContact C-N 3.29Å; I1107-R1109 PolarHBondContact O-N 3.39Å; R1109-S1112 WeakPolarHBondContact O-CB 3.05Å; R1109-S1112 PolarHBondContact O-N 3.12Å; R1109-S1112 PolarHBondContact O-OG 3.13Å; R1109-Y1113 WeakPolarHBondContact O-CD2 3.28Å |
| 1110 | T | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | Y1091 C1092 A1106 I1107 S1112 Y1113 L1129 | Y1091-T1110 VanDerWaalsContact CB-OG1 3.25Å; Y1091-T1110 WeakPolarHBondContact CB-OG1 3.26Å; C1092-T1110 VanDerWaalsContact SG-CG2 3.55Å; A1106-T1110 PolarHBondContact O-N 3.16Å; A1106-T1110 PolarHBondContact O-OG1 3.08Å; I1107-T1110 PolarHBondContact O-N 3.43Å; T1110-S1112 PolarHBondContact O-N 3.13Å; T1110-Y1113 WeakPolarHBondContact O-CB 3.34Å; T1110-Y1113 PolarHBondContact O-N 3.29Å; T1110-L1129 HydrophobicContact CG2-CB 4.03Å; T1110-L1129 HydrophobicContact CG2-CD1 4.22Å; T1110-L1129 HydrophobicContact CG2-CD2 4.29Å; T1110-L1129 HydrophobicContact CG2-CG 4.41Å |
| 1111 | L | 94.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -28.8 | -179.2 | -68.8 | 175.3 | 0 | 0 | 0 | 112.6 | I1107 Y1113 L1114 L1129 R1167 L1170 V1171 L1174 | I1107-L1111 HydrophobicContact CG2-CD1 3.51Å; I1107-L1111 HydrophobicContact CG2-CG 4.09Å; I1107-L1111 WeakPolarHBondContact O-CB 3.43Å; I1107-L1111 VanDerWaalsContact O-CG 3.23Å; I1107-L1111 WeakPolarHBondContact O-CG 3.19Å; I1107-L1111 PolarHBondContact O-N 2.84Å; L1111-Y1113 PolarHBondContact O-N 3.22Å; L1111-L1114 HydrophobicContact CD2-CD1 3.47Å; L1111-L1114 VanDerWaalsContact CD2-CD1 3.47Å; L1111-L1114 HydrophobicContact CD2-CG 4.47Å; L1111-L1114 WeakPolarHBondContact O-CB 3.4Å; L1111-L1114 PolarHBondContact O-N 3.04Å; L1111-L1114 VanDerWaalsContact O-N 3.08Å; L1111-L1129 HydrophobicContact CD2-CD2 3.69Å; L1111-R1167 HydrophobicContact CB-CG 4.49Å; L1111-L1170 HydrophobicContact CD2-CB 4.06Å; L1111-L1170 HydrophobicContact CD2-CD1 4.41Å; L1111-V1171 HydrophobicContact CB-CG2 4.16Å; L1111-V1171 HydrophobicContact CD1-CB 4.13Å; L1111-V1171 HydrophobicContact CD1-CG2 3.46Å; L1111-V1171 VanDerWaalsContact CD1-CG2 3.46Å; L1111-V1171 HydrophobicContact CG-CG2 4.41Å; L1111-L1174 HydrophobicContact CD1-CD1 4.03Å; L1111-L1174 HydrophobicContact CD2-CD1 4.17Å; L1111-L1174 HydrophobicContact CG-CD1 4.49Å |
| 1112 | S | 93.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 34.4 Ų | 34.4 | 43% | 0.427 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.6 | -27.5 | 174 | 78 | 0 | 0 | 0 | 0 | 113.1 | Q1108 R1109 T1110 T1115 | Q1108-S1112 PolarHBondContact O-N 3.39Å; R1109-S1112 WeakPolarHBondContact O-CB 3.05Å; R1109-S1112 PolarHBondContact O-N 3.12Å; R1109-S1112 PolarHBondContact O-OG 3.13Å; T1110-S1112 PolarHBondContact O-N 3.13Å; S1112-T1115 PolarHBondContact O-N 3.1Å; S1112-T1115 PolarHBondContact O-OG1 3Å |
| 1113 | Y | 94.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -78.6 | -15.7 | 177.8 | -77.3 | -82.1 | 0 | 0 | 0 | 114.2 | L1084 R1087 I1088 Y1091 R1109 T1110 L1111 T1115 H1116 I1121 R1122 | L1084-Y1113 HydrophobicContact CB-CE1 4.45Å; L1084-Y1113 HydrophobicContact CD2-CE1 4.02Å; R1087-Y1113 WeakPolarHBondContact CD-OH 3.35Å; R1087-Y1113 PolarHBondContact NH1-OH 3.08Å; I1088-Y1113 HydrophobicContact CD1-CD1 3.81Å; I1088-Y1113 HydrophobicContact CD1-CD2 4.34Å; I1088-Y1113 HydrophobicContact CD1-CE1 4.39Å; I1088-Y1113 HydrophobicContact CD1-CG 3.75Å; I1088-Y1113 HydrophobicContact CG1-CD1 4.1Å; I1088-Y1113 HydrophobicContact CG1-CD2 3.79Å; I1088-Y1113 HydrophobicContact CG1-CE1 4.46Å; I1088-Y1113 HydrophobicContact CG1-CE2 4.23Å; I1088-Y1113 HydrophobicContact CG1-CG 3.72Å; Y1091-Y1113 HydrophobicContact CD2-CE2 4.18Å; Y1091-Y1113 HydrophobicContact CE2-CD2 4.49Å; Y1091-Y1113 AromaticContact CE2-CE2 3.73Å; Y1091-Y1113 HydrophobicContact CE2-CE2 3.73Å; R1109-Y1113 WeakPolarHBondContact O-CD2 3.28Å; T1110-Y1113 WeakPolarHBondContact O-CB 3.34Å; T1110-Y1113 PolarHBondContact O-N 3.29Å; L1111-Y1113 PolarHBondContact O-N 3.22Å; Y1113-T1115 PolarHBondContact O-N 3.41Å; Y1113-H1116 HydrophobicContact CD1-CB 4.41Å; Y1113-H1116 VanDerWaalsContact O-CB 3.25Å; Y1113-H1116 WeakPolarHBondContact O-CB 3.48Å; Y1113-H1116 PolarHBondContact O-N 3.32Å; Y1113-H1116 VanDerWaalsContact O-N 3.1Å; Y1113-I1121 HydrophobicContact CD1-CG2 3.55Å; Y1113-I1121 HydrophobicContact CE1-CG2 4.32Å; Y1113-I1121 HydrophobicContact CG-CG2 4.38Å; Y1113-R1122 WeakPolarHBondContact O-CG 3.39Å |
| 1114 | L | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -68 | -12.7 | 172.3 | -62.7 | 179.9 | 0 | 0 | 0 | 112.7 | L1111 R1122 A1125 A1126 W1156 R1167 L1170 | L1111-L1114 HydrophobicContact CD2-CD1 3.47Å; L1111-L1114 VanDerWaalsContact CD2-CD1 3.47Å; L1111-L1114 HydrophobicContact CD2-CG 4.47Å; L1111-L1114 WeakPolarHBondContact O-CB 3.4Å; L1111-L1114 PolarHBondContact O-N 3.04Å; L1111-L1114 VanDerWaalsContact O-N 3.08Å; L1114-R1122 WeakPolarHBondContact O-CD 3.45Å; L1114-R1122 WeakPolarHBondContact O-CG 3.45Å; L1114-A1125 HydrophobicContact CD2-CB 3.96Å; L1114-A1126 HydrophobicContact CD2-CB 3.79Å; L1114-W1156 HydrophobicContact CB-CE3 4.44Å; L1114-W1156 HydrophobicContact CB-CH2 4.43Å; L1114-W1156 HydrophobicContact CB-CZ3 3.87Å; L1114-W1156 HydrophobicContact CD1-CH2 3.85Å; L1114-W1156 HydrophobicContact CD1-CZ3 4.14Å; L1114-W1156 HydrophobicContact CD2-CD2 4.46Å; L1114-W1156 HydrophobicContact CD2-CE3 4.15Å; L1114-W1156 HydrophobicContact CD2-CH2 4.06Å; L1114-W1156 HydrophobicContact CD2-CZ2 4.35Å; L1114-W1156 HydrophobicContact CD2-CZ3 3.95Å; L1114-W1156 HydrophobicContact CG-CH2 4.35Å; L1114-W1156 HydrophobicContact CG-CZ3 4.21Å; L1114-R1167 HydrophobicContact CB-CB 4.42Å; L1114-R1167 HydrophobicContact CB-CG 4.33Å; L1114-L1170 HydrophobicContact CD1-CD1 3.66Å |
| 1115 | T | 94 | Very high | 94 | Very high | 27 Ų | 27 | 39 Ų | 39 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -110.5 | 15.1 | 174 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | S1112 Y1113 E1164 R1167 | S1112-T1115 PolarHBondContact O-N 3.1Å; S1112-T1115 PolarHBondContact O-OG1 3Å; Y1113-T1115 PolarHBondContact O-N 3.41Å; T1115-E1164 HydrophobicContact CG2-CB 4.49Å; T1115-E1164 HydrophobicContact CG2-CG 3.72Å; T1115-R1167 HydrophobicContact CG2-CB 4.09Å; T1115-R1167 HydrophobicContact CG2-CG 4.2Å |
| 1116 | H | 94.6 | Very high | 94.2 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 12% | 0.12 | 18% | 0.178 | C | C | . | . | trans | -64.6 | 144.8 | -179.9 | -166.6 | -94.1 | 0 | 0 | 0 | 111.5 | Y1113 F1118 I1121 R1122 | Y1113-H1116 HydrophobicContact CD1-CB 4.41Å; Y1113-H1116 VanDerWaalsContact O-CB 3.25Å; Y1113-H1116 WeakPolarHBondContact O-CB 3.48Å; Y1113-H1116 PolarHBondContact O-N 3.32Å; Y1113-H1116 VanDerWaalsContact O-N 3.1Å; H1116-F1118 AromaticContact CE1-CD2 3.83Å; H1116-F1118 PolarHBondContact ND1-N 3.01Å; H1116-F1118 PolarHBondContact O-N 3.36Å; H1116-F1118 VanDerWaalsContact O-N 3.07Å; H1116-I1121 HydrophobicContact CB-CB 4.18Å; H1116-I1121 HydrophobicContact CB-CG2 3.82Å; H1116-R1122 HydrophobicContact CB-CG 4.24Å; H1116-R1122 WeakPolarHBondContact O-CD 3.39Å; H1116-R1122 WeakPolarHBondContact O-CG 3.39Å; H1116-R1122 PolarHBondContact O-NH1 3.2Å | ||
| 1117 | P | 91.6 | Very high | 94.4 | Very high | 96 Ų | 96 | 39.7 Ų | 39.7 | 62% | 0.623 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -59.7 | -21.5 | 179.6 | -27.6 | 35.3 | 0 | 0 | 0 | 115.3 | ||
| 1118 | F | 93.5 | Very high | 94.5 | Very high | 74 Ų | 74 | 42 Ų | 42 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -98.1 | 118.2 | 179 | -64.9 | -20.5 | 0 | 0 | 0 | 111.4 | K1079 I1081 H1116 V1120 I1121 R1122 | K1079-F1118 HydrophobicContact CB-CE2 4.36Å; K1079-F1118 HydrophobicContact CG-CE2 4.35Å; K1079-F1118 HydrophobicContact CG-CZ 4.18Å; I1081-F1118 HydrophobicContact CG1-CD2 4.3Å; H1116-F1118 AromaticContact CE1-CD2 3.83Å; H1116-F1118 PolarHBondContact ND1-N 3.01Å; H1116-F1118 PolarHBondContact O-N 3.36Å; H1116-F1118 VanDerWaalsContact O-N 3.07Å; F1118-V1120 VanDerWaalsContact C-N 3.25Å; F1118-V1120 PolarHBondContact O-N 3.2Å; F1118-I1121 HydrophobicContact CB-CB 4.42Å; F1118-I1121 HydrophobicContact CB-CG1 4.01Å; F1118-I1121 WeakPolarHBondContact O-CB 3.27Å; F1118-I1121 PolarHBondContact O-N 2.97Å; F1118-R1122 PolarHBondContact O-N 2.97Å |
| 1119 | P | 93.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 31% | 0.305 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -54.5 | -36.6 | 178.5 | -28.3 | 33.9 | 0 | 0 | 0 | 114.8 | I1121 R1122 R1123 | P1119-I1121 VanDerWaalsContact C-N 3.27Å; P1119-I1121 PolarHBondContact O-N 3.21Å; P1119-R1122 PolarHBondContact O-N 3.26Å; P1119-R1123 PolarHBondContact O-N 3.28Å |
| 1120 | V | 94.7 | Very high | 94.6 | Very high | 62 Ų | 62 | 37 Ų | 37 | 38% | 0.376 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | F1118 Y1124 | F1118-V1120 VanDerWaalsContact C-N 3.25Å; F1118-V1120 PolarHBondContact O-N 3.2Å; V1120-Y1124 WeakPolarHBondContact O-CB 3.37Å; V1120-Y1124 PolarHBondContact O-N 3.43Å |
| 1121 | I | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.8 | -38.4 | 179.2 | -62.3 | -59 | 0 | 0 | 0 | 111.1 | I1081 L1084 E1085 I1088 Y1113 H1116 F1118 P1119 Y1124 A1125 | I1081-I1121 HydrophobicContact CB-CD1 4.25Å; I1081-I1121 HydrophobicContact CG1-CD1 4.23Å; I1081-I1121 HydrophobicContact CG2-CD1 3.85Å; L1084-I1121 HydrophobicContact CB-CD1 3.78Å; L1084-I1121 HydrophobicContact CD1-CD1 4.01Å; L1084-I1121 HydrophobicContact CD1-CG1 4.07Å; E1085-I1121 HydrophobicContact CG-CD1 4.2Å; I1088-I1121 HydrophobicContact CD1-CG2 3.79Å; Y1113-I1121 HydrophobicContact CD1-CG2 3.55Å; Y1113-I1121 HydrophobicContact CE1-CG2 4.32Å; Y1113-I1121 HydrophobicContact CG-CG2 4.38Å; H1116-I1121 HydrophobicContact CB-CB 4.18Å; H1116-I1121 HydrophobicContact CB-CG2 3.82Å; F1118-I1121 HydrophobicContact CB-CB 4.42Å; F1118-I1121 HydrophobicContact CB-CG1 4.01Å; F1118-I1121 WeakPolarHBondContact O-CB 3.27Å; F1118-I1121 PolarHBondContact O-N 2.97Å; P1119-I1121 VanDerWaalsContact C-N 3.27Å; P1119-I1121 PolarHBondContact O-N 3.21Å; I1121-Y1124 PolarHBondContact O-N 3.47Å; I1121-A1125 WeakPolarHBondContact O-CB 3.47Å; I1121-A1125 PolarHBondContact O-N 3.34Å |
| 1122 | R | 96 | Very high | 94.1 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -46.7 | 176.5 | -61.7 | -171.4 | -65 | -123.5 | 18.8 | 111.6 | Y1113 L1114 H1116 F1118 P1119 A1125 A1126 W1156 N1157 A1158 V1160 | Y1113-R1122 WeakPolarHBondContact O-CG 3.39Å; L1114-R1122 WeakPolarHBondContact O-CD 3.45Å; L1114-R1122 WeakPolarHBondContact O-CG 3.45Å; H1116-R1122 HydrophobicContact CB-CG 4.24Å; H1116-R1122 WeakPolarHBondContact O-CD 3.39Å; H1116-R1122 WeakPolarHBondContact O-CG 3.39Å; H1116-R1122 PolarHBondContact O-NH1 3.2Å; F1118-R1122 PolarHBondContact O-N 2.97Å; P1119-R1122 PolarHBondContact O-N 3.26Å; R1122-A1125 PolarHBondContact O-N 2.92Å; R1122-A1126 PolarHBondContact O-N 3.33Å; R1122-W1156 HydrophobicContact CB-CB 4.15Å; R1122-W1156 PolarHBondContact NE-O 2.86Å; R1122-W1156 PolarHBondContact NH2-O 3.45Å; R1122-N1157 PolarHBondContact NH2-O 3.06Å; R1122-A1158 PolarHBondContact NH2-O 3Å; R1122-V1160 VanDerWaalsContact NH1-CG2 3.35Å |
| 1123 | R | 95.6 | Very high | 93.8 | Very high | 99 Ų | 99 | 39.3 Ų | 39.3 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.4 | -49.4 | 174.7 | -75.2 | -169.7 | -66.8 | 138.6 | -2 | 111.7 | P1119 A1125 A1126 E1127 W1156 | P1119-R1123 PolarHBondContact O-N 3.28Å; R1123-A1125 VanDerWaalsContact C-N 3.31Å; R1123-A1125 PolarHBondContact O-N 3.48Å; R1123-A1126 PolarHBondContact O-N 3.33Å; R1123-E1127 WeakPolarHBondContact O-CB 3.46Å; R1123-E1127 WeakPolarHBondContact O-CG 3.42Å; R1123-E1127 PolarHBondContact O-N 3.42Å; R1123-W1156 HydrophobicContact CG-CB 3.75Å |
| 1124 | Y | 96.6 | Very high | 93.3 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 178.3 | -169.9 | -88.1 | 0 | 0 | 0 | 112.3 | E1085 I1088 S1089 V1120 I1121 R1128 | E1085-Y1124 HydrophobicContact CB-CD1 3.94Å; E1085-Y1124 HydrophobicContact CB-CD2 4.37Å; E1085-Y1124 HydrophobicContact CB-CE1 3.63Å; E1085-Y1124 HydrophobicContact CB-CE2 4.07Å; E1085-Y1124 HydrophobicContact CB-CG 4.3Å; E1085-Y1124 HydrophobicContact CG-CD1 3.85Å; E1085-Y1124 HydrophobicContact CG-CD2 3.87Å; E1085-Y1124 HydrophobicContact CG-CE1 4.04Å; E1085-Y1124 HydrophobicContact CG-CE2 4.04Å; E1085-Y1124 HydrophobicContact CG-CG 3.77Å; E1085-Y1124 VanDerWaalsContact O-CE1 3.25Å; E1085-Y1124 WeakPolarHBondContact O-CE1 3.32Å; I1088-Y1124 HydrophobicContact CB-CD1 4.24Å; I1088-Y1124 HydrophobicContact CB-CE1 4.29Å; I1088-Y1124 HydrophobicContact CD1-CD1 4.22Å; I1088-Y1124 HydrophobicContact CG2-CD1 4.01Å; I1088-Y1124 HydrophobicContact CG2-CE1 4.2Å; S1089-Y1124 PolarHBondContact OG-OH 3.2Å; S1089-Y1124 VanDerWaalsContact OG-OH 3.09Å; V1120-Y1124 WeakPolarHBondContact O-CB 3.37Å; V1120-Y1124 PolarHBondContact O-N 3.43Å; I1121-Y1124 PolarHBondContact O-N 3.47Å; Y1124-R1128 HydrophobicContact CD1-CG 3.79Å; Y1124-R1128 HydrophobicContact CE1-CB 4.49Å; Y1124-R1128 HydrophobicContact CE1-CG 3.38Å; Y1124-R1128 HydrophobicContact CE2-CG 4.3Å; Y1124-R1128 HydrophobicContact CG-CG 4.38Å; Y1124-R1128 VanDerWaalsContact O-CB 3.27Å; Y1124-R1128 WeakPolarHBondContact O-CB 3.48Å; Y1124-R1128 VanDerWaalsContact O-CG 3.31Å; Y1124-R1128 WeakPolarHBondContact O-CG 3.12Å; Y1124-R1128 PolarHBondContact O-N 3.16Å; Y1124-R1128 PolarHBondContact OH-NH1 3.43Å |
| 1125 | A | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1088 L1114 I1121 R1122 R1123 L1129 | I1088-A1125 HydrophobicContact CD1-CB 4.08Å; I1088-A1125 HydrophobicContact CG2-CB 4.19Å; L1114-A1125 HydrophobicContact CD2-CB 3.96Å; I1121-A1125 WeakPolarHBondContact O-CB 3.47Å; I1121-A1125 PolarHBondContact O-N 3.34Å; R1122-A1125 PolarHBondContact O-N 2.92Å; R1123-A1125 VanDerWaalsContact C-N 3.31Å; R1123-A1125 PolarHBondContact O-N 3.48Å; A1125-L1129 WeakPolarHBondContact O-CB 3.38Å; A1125-L1129 PolarHBondContact O-N 3.38Å |
| 1126 | A | 95.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -48.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1114 R1122 R1123 L1129 F1130 L1151 W1156 | L1114-A1126 HydrophobicContact CD2-CB 3.79Å; R1122-A1126 PolarHBondContact O-N 3.33Å; R1123-A1126 PolarHBondContact O-N 3.33Å; A1126-L1129 PolarHBondContact O-N 3.32Å; A1126-F1130 WeakPolarHBondContact O-CB 3.49Å; A1126-F1130 PolarHBondContact O-N 3.24Å; A1126-L1151 HydrophobicContact CB-CD2 4.24Å; A1126-W1156 HydrophobicContact CB-CD2 4.04Å; A1126-W1156 HydrophobicContact CB-CG 4.17Å; A1126-W1156 HydrophobicContact CB-CZ2 4.04Å; A1126-W1156 VanDerWaalsContact CB-NE1 3.28Å |
| 1127 | E | 95.7 | Very high | 90.1 | Very high | 95 Ų | 95 | 54.5 Ų | 54.5 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 178.7 | -72.1 | 170.8 | -167.3 | 0 | 0 | 111.4 | R1123 L1129 F1130 E1131 | R1123-E1127 WeakPolarHBondContact O-CB 3.46Å; R1123-E1127 WeakPolarHBondContact O-CG 3.42Å; R1123-E1127 PolarHBondContact O-N 3.42Å; E1127-L1129 PolarHBondContact O-N 2.91Å; E1127-F1130 WeakPolarHBondContact O-CB 3.28Å; E1127-F1130 PolarHBondContact O-N 3.33Å; E1127-E1131 WeakPolarHBondContact O-CG 3.36Å; E1127-E1131 PolarHBondContact O-N 3.47Å |
| 1128 | R | 94.1 | Very high | 88.5 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 179.3 | -73.9 | -62.7 | 97.1 | 83.1 | 0.6 | 113 | I1088 Y1124 E1131 H1132 | I1088-R1128 HydrophobicContact CG2-CB 4.29Å; Y1124-R1128 HydrophobicContact CD1-CG 3.79Å; Y1124-R1128 HydrophobicContact CE1-CB 4.49Å; Y1124-R1128 HydrophobicContact CE1-CG 3.38Å; Y1124-R1128 HydrophobicContact CE2-CG 4.3Å; Y1124-R1128 HydrophobicContact CG-CG 4.38Å; Y1124-R1128 VanDerWaalsContact O-CB 3.27Å; Y1124-R1128 WeakPolarHBondContact O-CB 3.48Å; Y1124-R1128 VanDerWaalsContact O-CG 3.31Å; Y1124-R1128 WeakPolarHBondContact O-CG 3.12Å; Y1124-R1128 PolarHBondContact O-N 3.16Å; Y1124-R1128 PolarHBondContact OH-NH1 3.43Å; R1128-E1131 IonicContact CZ-OE1 3.95Å; R1128-E1131 IonicContact CZ-OE2 3.09Å; R1128-E1131 VanDerWaalsContact CZ-OE2 3.32Å; R1128-E1131 IonicContact NE-OE1 3.12Å; R1128-E1131 IonicContact NE-OE2 3.79Å; R1128-E1131 PolarHBondContact NE-OE2 2.87Å; R1128-E1131 VanDerWaalsContact NH2-CD 3.32Å; R1128-E1131 IonicContact NH2-OE1 2.72Å; R1128-E1131 PolarHBondContact NH2-OE1 3.27Å; R1128-E1131 IonicContact NH2-OE2 3.17Å; R1128-E1131 PolarHBondContact NH2-OE2 3.41Å; R1128-H1132 PolarHBondContact O-N 2.82Å; R1128-H1132 PolarHBondContact O-ND1 3.16Å |
| 1129 | L | 93.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 175.5 | -179.6 | 60.3 | 0 | 0 | 0 | 110.7 | I1095 T1110 L1111 A1125 A1126 E1127 H1132 L1133 L1151 L1174 | I1095-L1129 HydrophobicContact CD1-CD1 3.59Å; T1110-L1129 HydrophobicContact CG2-CB 4.03Å; T1110-L1129 HydrophobicContact CG2-CD1 4.22Å; T1110-L1129 HydrophobicContact CG2-CD2 4.29Å; T1110-L1129 HydrophobicContact CG2-CG 4.41Å; L1111-L1129 HydrophobicContact CD2-CD2 3.69Å; A1125-L1129 WeakPolarHBondContact O-CB 3.38Å; A1125-L1129 PolarHBondContact O-N 3.38Å; A1126-L1129 PolarHBondContact O-N 3.32Å; E1127-L1129 PolarHBondContact O-N 2.91Å; L1129-H1132 PolarHBondContact O-N 3.14Å; L1129-L1133 HydrophobicContact CD1-CD1 3.84Å; L1129-L1133 HydrophobicContact CD1-CG 3.95Å; L1129-L1133 HydrophobicContact CG-CD1 3.82Å; L1129-L1133 HydrophobicContact CG-CG 4.33Å; L1129-L1133 VanDerWaalsContact O-CB 3.3Å; L1129-L1133 WeakPolarHBondContact O-CB 3.39Å; L1129-L1133 VanDerWaalsContact O-CG 3.25Å; L1129-L1133 WeakPolarHBondContact O-CG 3.36Å; L1129-L1133 PolarHBondContact O-N 3.32Å; L1129-L1151 HydrophobicContact CD2-CD1 4.34Å; L1129-L1151 HydrophobicContact CD2-CD2 4.19Å; L1129-L1151 HydrophobicContact CG-CD1 4.25Å; L1129-L1174 HydrophobicContact CD2-CD1 4.31Å |
| 1130 | F | 92.7 | Very high | 85.5 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.3 | -51 | 176.3 | -177.9 | -82.6 | 0 | 0 | 0 | 111.7 | A1126 E1127 H1132 L1133 T1134 F1148 L1151 | A1126-F1130 WeakPolarHBondContact O-CB 3.49Å; A1126-F1130 PolarHBondContact O-N 3.24Å; E1127-F1130 WeakPolarHBondContact O-CB 3.28Å; E1127-F1130 PolarHBondContact O-N 3.33Å; F1130-H1132 PolarHBondContact O-N 3.46Å; F1130-L1133 PolarHBondContact O-N 3.12Å; F1130-T1134 PolarHBondContact O-N 3.37Å; F1130-T1134 PolarHBondContact O-OG1 2.78Å; F1130-F1148 HydrophobicContact CD2-CB 4.4Å; F1130-F1148 AromaticContact CD2-CD1 3.64Å; F1130-F1148 HydrophobicContact CD2-CD1 3.64Å; F1130-F1148 HydrophobicContact CD2-CE1 4.4Å; F1130-F1148 HydrophobicContact CD2-CG 4.42Å; F1130-F1148 HydrophobicContact CE2-CB 3.79Å; F1130-F1148 AromaticContact CE2-CD1 3.58Å; F1130-F1148 HydrophobicContact CE2-CD1 3.58Å; F1130-F1148 HydrophobicContact CE2-CE1 4.47Å; F1130-F1148 AromaticContact CE2-CG 3.96Å; F1130-F1148 HydrophobicContact CE2-CG 3.96Å; F1130-F1148 HydrophobicContact CG-CD1 4.38Å; F1130-F1148 HydrophobicContact CZ-CD1 4.27Å; F1130-L1151 HydrophobicContact CB-CD1 4.15Å; F1130-L1151 HydrophobicContact CD2-CB 4.09Å; F1130-L1151 HydrophobicContact CD2-CD1 4.4Å |
| 1131 | E | 91 | Very high | 84.2 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 179.5 | -74.1 | 171 | -170.9 | 0 | 0 | 112.2 | E1127 R1128 T1134 M1135 | E1127-E1131 WeakPolarHBondContact O-CG 3.36Å; E1127-E1131 PolarHBondContact O-N 3.47Å; R1128-E1131 IonicContact CZ-OE1 3.95Å; R1128-E1131 IonicContact CZ-OE2 3.09Å; R1128-E1131 VanDerWaalsContact CZ-OE2 3.32Å; R1128-E1131 IonicContact NE-OE1 3.12Å; R1128-E1131 IonicContact NE-OE2 3.79Å; R1128-E1131 PolarHBondContact NE-OE2 2.87Å; R1128-E1131 VanDerWaalsContact NH2-CD 3.32Å; R1128-E1131 IonicContact NH2-OE1 2.72Å; R1128-E1131 PolarHBondContact NH2-OE1 3.27Å; R1128-E1131 IonicContact NH2-OE2 3.17Å; R1128-E1131 PolarHBondContact NH2-OE2 3.41Å; E1131-T1134 PolarHBondContact O-N 3.13Å; E1131-M1135 WeakPolarHBondContact O-CG 3.35Å; E1131-M1135 PolarHBondContact O-N 3.06Å |
| 1132 | H | 88.4 | Confident | 83.5 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 12% | 0.116 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 179.8 | -81.7 | 74.1 | 0 | 0 | 0 | 112.1 | C1092 R1128 L1129 F1130 T1134 M1135 I1136 | C1092-H1132 VanDerWaalsContact C-CD2 3.43Å; C1092-H1132 HydrophobicContact CB-CB 4.2Å; C1092-H1132 PolarHBondContact O-CD2 3.13Å; C1092-H1132 VanDerWaalsContact O-CD2 3.29Å; R1128-H1132 PolarHBondContact O-N 2.82Å; R1128-H1132 PolarHBondContact O-ND1 3.16Å; L1129-H1132 PolarHBondContact O-N 3.14Å; F1130-H1132 PolarHBondContact O-N 3.46Å; H1132-T1134 VanDerWaalsContact C-N 3.26Å; H1132-T1134 PolarHBondContact O-N 3.28Å; H1132-M1135 WeakPolarHBondContact O-CB 3.45Å; H1132-M1135 PolarHBondContact O-N 2.69Å; H1132-M1135 VanDerWaalsContact O-N 3.12Å; H1132-I1136 WeakPolarHBondContact O-CD1 3.35Å; H1132-I1136 VanDerWaalsContact O-CG1 3.29Å; H1132-I1136 WeakPolarHBondContact O-CG1 3.45Å; H1132-I1136 PolarHBondContact O-N 3.11Å |
| 1133 | L | 87.5 | Confident | 82.8 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.2 | -31.4 | 177.2 | -74.9 | 178.7 | 0 | 0 | 0 | 112.5 | I1095 L1129 F1130 M1135 I1136 L1138 M1144 V1147 F1148 L1151 L1174 | I1095-L1133 HydrophobicContact CG2-CD2 4.48Å; L1129-L1133 HydrophobicContact CD1-CD1 3.84Å; L1129-L1133 HydrophobicContact CD1-CG 3.95Å; L1129-L1133 HydrophobicContact CG-CD1 3.82Å; L1129-L1133 HydrophobicContact CG-CG 4.33Å; L1129-L1133 VanDerWaalsContact O-CB 3.3Å; L1129-L1133 WeakPolarHBondContact O-CB 3.39Å; L1129-L1133 VanDerWaalsContact O-CG 3.25Å; L1129-L1133 WeakPolarHBondContact O-CG 3.36Å; L1129-L1133 PolarHBondContact O-N 3.32Å; F1130-L1133 PolarHBondContact O-N 3.12Å; L1133-M1135 VanDerWaalsContact C-N 3.35Å; L1133-I1136 PolarHBondContact O-N 3.03Å; L1133-L1138 HydrophobicContact CD2-CD1 4.16Å; L1133-M1144 HydrophobicContact CB-CE 4.09Å; L1133-V1147 HydrophobicContact CD1-CG1 3.92Å; L1133-F1148 HydrophobicContact CB-CE1 3.79Å; L1133-F1148 HydrophobicContact CB-CZ 4.27Å; L1133-L1151 HydrophobicContact CD1-CD1 4.28Å; L1133-L1174 HydrophobicContact CD1-CD2 3.88Å; L1133-L1174 HydrophobicContact CD2-CD2 4.2Å |
| 1134 | T | 84.1 | Confident | 82.3 | Confident | 85 Ų | 85 | 57.1 Ų | 57.1 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.9 | -34 | 173.4 | -58.7 | 0 | 0 | 0 | 0 | 112 | F1130 E1131 H1132 I1136 | F1130-T1134 PolarHBondContact O-N 3.37Å; F1130-T1134 PolarHBondContact O-OG1 2.78Å; E1131-T1134 PolarHBondContact O-N 3.13Å; H1132-T1134 VanDerWaalsContact C-N 3.26Å; H1132-T1134 PolarHBondContact O-N 3.28Å; T1134-I1136 VanDerWaalsContact C-N 3.26Å; T1134-I1136 PolarHBondContact O-N 3.15Å |
| 1135 | M | 80.6 | Confident | 81.8 | Confident | 149 Ų | 149 | 58.9 Ų | 58.9 | 73% | 0.734 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.8 | -21.8 | 176.3 | -68.8 | -175.2 | 67.5 | 0 | 0 | 113.2 | E1131 H1132 L1133 | E1131-M1135 WeakPolarHBondContact O-CG 3.35Å; E1131-M1135 PolarHBondContact O-N 3.06Å; H1132-M1135 WeakPolarHBondContact O-CB 3.45Å; H1132-M1135 PolarHBondContact O-N 2.69Å; H1132-M1135 VanDerWaalsContact O-N 3.12Å; L1133-M1135 VanDerWaalsContact C-N 3.35Å |
| 1136 | I | 74.7 | Confident | 81.5 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -93.6 | 117 | -178 | -57.7 | 161.2 | 0 | 0 | 0 | 109.3 | I1095 P1097 H1132 L1133 T1134 L1138 | I1095-I1136 HydrophobicContact CB-CD1 4.28Å; I1095-I1136 HydrophobicContact CG2-CD1 3.81Å; I1095-I1136 WeakPolarHBondContact O-CD1 3.46Å; P1097-I1136 HydrophobicContact CB-CG2 3.67Å; P1097-I1136 HydrophobicContact CG-CG2 3.67Å; H1132-I1136 WeakPolarHBondContact O-CD1 3.35Å; H1132-I1136 VanDerWaalsContact O-CG1 3.29Å; H1132-I1136 WeakPolarHBondContact O-CG1 3.45Å; H1132-I1136 PolarHBondContact O-N 3.11Å; L1133-I1136 PolarHBondContact O-N 3.03Å; T1134-I1136 VanDerWaalsContact C-N 3.26Å; T1134-I1136 PolarHBondContact O-N 3.15Å; I1136-L1138 HydrophobicContact CB-CG 4.42Å; I1136-L1138 HydrophobicContact CG2-CD1 4.35Å; I1136-L1138 HydrophobicContact CG2-CD2 3.89Å; I1136-L1138 HydrophobicContact CG2-CG 3.73Å; I1136-L1138 PolarHBondContact O-N 3.01Å |
| 1137 | T | 60.6 | Low | 81.2 | Confident | 138 Ų | 138 | 62.1 Ų | 62.1 | 85% | 0.847 | 34% | 0.344 | S | S | * | . | trans | -71.1 | 91 | 168.8 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1138 | L | 59.3 | Low | 81 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | trans | -88.3 | 142.4 | 171.6 | -67.8 | 166.3 | 0 | 0 | 0 | 110.3 | L1133 I1136 D1140 M1144 I1177 | L1133-L1138 HydrophobicContact CD2-CD1 4.16Å; I1136-L1138 HydrophobicContact CB-CG 4.42Å; I1136-L1138 HydrophobicContact CG2-CD1 4.35Å; I1136-L1138 HydrophobicContact CG2-CD2 3.89Å; I1136-L1138 HydrophobicContact CG2-CG 3.73Å; I1136-L1138 PolarHBondContact O-N 3.01Å; L1138-D1140 PolarHBondContact O-N 3.3Å; L1138-M1144 HydrophobicContact CB-CG 4.12Å; L1138-M1144 HydrophobicContact CB-SD 4.21Å; L1138-M1144 HydrophobicContact CD1-CE 3.91Å; L1138-M1144 HydrophobicContact CD1-CG 4.49Å; L1138-M1144 HydrophobicContact CD1-SD 3.5Å; L1138-M1144 WeakPolarHBondContact CD1-SD 3.46Å; L1138-M1144 HydrophobicContact CG-SD 4.47Å; L1138-I1177 HydrophobicContact CB-CG2 4.31Å; L1138-I1177 HydrophobicContact CD1-CG2 3.9Å; L1138-I1177 HydrophobicContact CD2-CG2 4.4Å; L1138-I1177 HydrophobicContact CG-CG2 4.41Å | ||
| 1139 | S | 57.5 | Low | 80.9 | Confident | 112 Ų | 112 | 61.7 Ų | 61.7 | 78% | 0.783 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -72.8 | -19.5 | -169 | 33 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1140 | D | 65.8 | Low | 80.8 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | trans | -104.5 | 91.6 | -178.4 | -163.3 | -25.2 | 0 | 0 | 0 | 111.6 | L1138 T1142 L1143 M1144 | L1138-D1140 PolarHBondContact O-N 3.3Å; D1140-T1142 VanDerWaalsContact C-N 3.26Å; D1140-T1142 PolarHBondContact O-N 3.43Å; D1140-T1142 PolarHBondContact OD1-N 3.12Å; D1140-T1142 PolarHBondContact OD1-OG1 2.96Å; D1140-L1143 PolarHBondContact OD1-N 2.67Å; D1140-L1143 WeakPolarHBondContact OD2-CD1 3.42Å; D1140-M1144 WeakPolarHBondContact O-CB 3.27Å; D1140-M1144 WeakPolarHBondContact O-CG 3.42Å; D1140-M1144 PolarHBondContact O-N 3.08Å | ||
| 1141 | S | 67.3 | Low | 80.9 | Confident | 86 Ų | 86 | 60 Ų | 60 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.6 | -29 | -176.4 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | V1145 | S1141-V1145 VanDerWaalsContact O-CG2 3.23Å; S1141-V1145 WeakPolarHBondContact O-CG2 3.36Å; S1141-V1145 PolarHBondContact O-N 3.46Å; S1141-V1145 VanDerWaalsContact O-N 3.16Å |
| 1142 | T | 80.2 | Confident | 80.9 | Confident | 92 Ų | 92 | 63 Ų | 63 | 56% | 0.564 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -76.6 | -47.9 | -174.7 | 62 | 0 | 0 | 0 | 0 | 112.3 | D1140 M1144 V1145 N1146 | D1140-T1142 VanDerWaalsContact C-N 3.26Å; D1140-T1142 PolarHBondContact O-N 3.43Å; D1140-T1142 PolarHBondContact OD1-N 3.12Å; D1140-T1142 PolarHBondContact OD1-OG1 2.96Å; T1142-M1144 VanDerWaalsContact C-N 3.29Å; T1142-M1144 PolarHBondContact O-N 3.36Å; T1142-V1145 PolarHBondContact O-N 2.75Å; T1142-N1146 PolarHBondContact O-N 3.48Å |
| 1143 | L | 81.9 | Confident | 81 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 20% | 0.199 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 176.1 | -68.1 | 178.3 | 0 | 0 | 0 | 111.5 | D1140 N1146 V1147 L1173 T1176 I1177 | D1140-L1143 PolarHBondContact OD1-N 2.67Å; D1140-L1143 WeakPolarHBondContact OD2-CD1 3.42Å; L1143-N1146 WeakPolarHBondContact O-CB 3.42Å; L1143-N1146 PolarHBondContact O-N 2.87Å; L1143-V1147 PolarHBondContact O-N 2.96Å; L1143-V1147 VanDerWaalsContact O-N 3.09Å; L1143-L1173 HydrophobicContact CD2-CD2 3.99Å; L1143-T1176 HydrophobicContact CD1-CG2 3.92Å; L1143-I1177 HydrophobicContact CB-CD1 3.83Å; L1143-I1177 HydrophobicContact CB-CG1 3.74Å; L1143-I1177 HydrophobicContact CD1-CG1 4.06Å |
| 1144 | M | 84.8 | Confident | 81.3 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 5% | 0.054 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 175.9 | -77 | -62.1 | -60.7 | 0 | 0 | 112.8 | L1133 L1138 D1140 T1142 N1146 V1147 F1148 I1177 | L1133-M1144 HydrophobicContact CB-CE 4.09Å; L1138-M1144 HydrophobicContact CB-CG 4.12Å; L1138-M1144 HydrophobicContact CB-SD 4.21Å; L1138-M1144 HydrophobicContact CD1-CE 3.91Å; L1138-M1144 HydrophobicContact CD1-CG 4.49Å; L1138-M1144 HydrophobicContact CD1-SD 3.5Å; L1138-M1144 WeakPolarHBondContact CD1-SD 3.46Å; L1138-M1144 HydrophobicContact CG-SD 4.47Å; D1140-M1144 WeakPolarHBondContact O-CB 3.27Å; D1140-M1144 WeakPolarHBondContact O-CG 3.42Å; D1140-M1144 PolarHBondContact O-N 3.08Å; T1142-M1144 VanDerWaalsContact C-N 3.29Å; T1142-M1144 PolarHBondContact O-N 3.36Å; M1144-N1146 VanDerWaalsContact C-N 3.28Å; M1144-N1146 PolarHBondContact O-N 3.28Å; M1144-V1147 PolarHBondContact O-N 2.95Å; M1144-F1148 HydrophobicContact CB-CE2 4.26Å; M1144-F1148 HydrophobicContact CE-CE1 3.87Å; M1144-F1148 HydrophobicContact CE-CE2 3.66Å; M1144-F1148 HydrophobicContact CE-CZ 3.27Å; M1144-F1148 WeakPolarHBondContact O-CD2 3.35Å; M1144-F1148 WeakPolarHBondContact O-CG 3.47Å; M1144-F1148 PolarHBondContact O-N 2.83Å; M1144-I1177 HydrophobicContact CG-CD1 4.28Å; M1144-I1177 HydrophobicContact SD-CD1 3.76Å; M1144-I1177 HydrophobicContact SD-CG2 4.15Å |
| 1145 | V | 86.4 | Confident | 81.7 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 174.3 | 168.2 | 0 | 0 | 0 | 0 | 111 | S1141 T1142 F1148 Q1149 | S1141-V1145 VanDerWaalsContact O-CG2 3.23Å; S1141-V1145 WeakPolarHBondContact O-CG2 3.36Å; S1141-V1145 PolarHBondContact O-N 3.46Å; S1141-V1145 VanDerWaalsContact O-N 3.16Å; T1142-V1145 PolarHBondContact O-N 2.75Å; V1145-F1148 PolarHBondContact O-N 2.79Å; V1145-Q1149 HydrophobicContact CG1-CG 4.47Å; V1145-Q1149 WeakPolarHBondContact O-CB 3.36Å; V1145-Q1149 WeakPolarHBondContact O-CG 3.22Å; V1145-Q1149 PolarHBondContact O-N 3.42Å |
| 1146 | N | 88.6 | Confident | 82.3 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 176.3 | -66.4 | -18.5 | 0 | 0 | 0 | 111.9 | T1142 L1143 M1144 Q1149 I1150 L1173 | T1142-N1146 PolarHBondContact O-N 3.48Å; L1143-N1146 WeakPolarHBondContact O-CB 3.42Å; L1143-N1146 PolarHBondContact O-N 2.87Å; M1144-N1146 VanDerWaalsContact C-N 3.28Å; M1144-N1146 PolarHBondContact O-N 3.28Å; N1146-Q1149 PolarHBondContact O-N 3.37Å; N1146-I1150 WeakPolarHBondContact O-CD1 3.15Å; N1146-I1150 VanDerWaalsContact O-CG1 3.22Å; N1146-I1150 WeakPolarHBondContact O-CG1 3.36Å; N1146-I1150 PolarHBondContact O-N 2.88Å; N1146-L1173 HydrophobicContact CB-CD1 4.35Å |
| 1147 | V | 90.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 111 | L1133 L1143 M1144 I1150 L1151 L1170 L1173 L1174 I1177 | L1133-V1147 HydrophobicContact CD1-CG1 3.92Å; L1143-V1147 PolarHBondContact O-N 2.96Å; L1143-V1147 VanDerWaalsContact O-N 3.09Å; M1144-V1147 PolarHBondContact O-N 2.95Å; V1147-I1150 PolarHBondContact O-N 3.29Å; V1147-L1151 HydrophobicContact CG1-CD1 3.91Å; V1147-L1151 HydrophobicContact CG1-CG 4.44Å; V1147-L1151 WeakPolarHBondContact O-CG 3.43Å; V1147-L1151 PolarHBondContact O-N 3.41Å; V1147-L1170 HydrophobicContact CG1-CD2 4.08Å; V1147-L1173 HydrophobicContact CG2-CB 3.83Å; V1147-L1173 HydrophobicContact CG2-CD1 4.2Å; V1147-L1174 HydrophobicContact CG1-CD2 4.13Å; V1147-L1174 HydrophobicContact CG1-CG 4.37Å; V1147-L1174 HydrophobicContact CG2-CD2 4.22Å; V1147-L1174 HydrophobicContact CG2-CG 4.23Å; V1147-I1177 HydrophobicContact CG2-CD1 3.8Å |
| 1148 | F | 91.7 | Very high | 84.6 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 179 | -68.1 | -42.2 | 0 | 0 | 0 | 112.4 | F1130 L1133 M1144 V1145 I1150 L1151 E1152 | F1130-F1148 HydrophobicContact CD2-CB 4.4Å; F1130-F1148 AromaticContact CD2-CD1 3.64Å; F1130-F1148 HydrophobicContact CD2-CD1 3.64Å; F1130-F1148 HydrophobicContact CD2-CE1 4.4Å; F1130-F1148 HydrophobicContact CD2-CG 4.42Å; F1130-F1148 HydrophobicContact CE2-CB 3.79Å; F1130-F1148 AromaticContact CE2-CD1 3.58Å; F1130-F1148 HydrophobicContact CE2-CD1 3.58Å; F1130-F1148 HydrophobicContact CE2-CE1 4.47Å; F1130-F1148 AromaticContact CE2-CG 3.96Å; F1130-F1148 HydrophobicContact CE2-CG 3.96Å; F1130-F1148 HydrophobicContact CG-CD1 4.38Å; F1130-F1148 HydrophobicContact CZ-CD1 4.27Å; L1133-F1148 HydrophobicContact CB-CE1 3.79Å; L1133-F1148 HydrophobicContact CB-CZ 4.27Å; M1144-F1148 HydrophobicContact CB-CE2 4.26Å; M1144-F1148 HydrophobicContact CE-CE1 3.87Å; M1144-F1148 HydrophobicContact CE-CE2 3.66Å; M1144-F1148 HydrophobicContact CE-CZ 3.27Å; M1144-F1148 WeakPolarHBondContact O-CD2 3.35Å; M1144-F1148 WeakPolarHBondContact O-CG 3.47Å; M1144-F1148 PolarHBondContact O-N 2.83Å; V1145-F1148 PolarHBondContact O-N 2.79Å; F1148-I1150 VanDerWaalsContact C-N 3.34Å; F1148-I1150 PolarHBondContact O-N 3.07Å; F1148-L1151 PolarHBondContact O-N 3.06Å; F1148-E1152 WeakPolarHBondContact O-CB 3.48Å; F1148-E1152 PolarHBondContact O-N 3.09Å |
| 1149 | Q | 91.1 | Very high | 86.1 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.4 | -77.4 | -179.4 | -6.2 | 0 | 0 | 112 | V1145 N1146 E1152 Q1153 | V1145-Q1149 HydrophobicContact CG1-CG 4.47Å; V1145-Q1149 WeakPolarHBondContact O-CB 3.36Å; V1145-Q1149 WeakPolarHBondContact O-CG 3.22Å; V1145-Q1149 PolarHBondContact O-N 3.42Å; N1146-Q1149 PolarHBondContact O-N 3.37Å; Q1149-E1152 PolarHBondContact O-N 3.15Å; Q1149-Q1153 VanDerWaalsContact O-CB 3.25Å; Q1149-Q1153 WeakPolarHBondContact O-CB 3.3Å; Q1149-Q1153 VanDerWaalsContact O-CG 3.31Å; Q1149-Q1153 WeakPolarHBondContact O-CG 3.24Å; Q1149-Q1153 PolarHBondContact O-N 3.19Å |
| 1150 | I | 92.8 | Very high | 87.7 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 178.4 | -66.5 | 164 | 0 | 0 | 0 | 110.7 | N1146 V1147 F1148 E1152 T1154 I1166 Q1169 L1170 L1173 | N1146-I1150 WeakPolarHBondContact O-CD1 3.15Å; N1146-I1150 VanDerWaalsContact O-CG1 3.22Å; N1146-I1150 WeakPolarHBondContact O-CG1 3.36Å; N1146-I1150 PolarHBondContact O-N 2.88Å; V1147-I1150 PolarHBondContact O-N 3.29Å; F1148-I1150 VanDerWaalsContact C-N 3.34Å; F1148-I1150 PolarHBondContact O-N 3.07Å; I1150-E1152 VanDerWaalsContact C-N 3.31Å; I1150-E1152 PolarHBondContact O-N 3.4Å; I1150-T1154 VanDerWaalsContact O-CB 3.25Å; I1150-T1154 WeakPolarHBondContact O-CB 3.27Å; I1150-T1154 PolarHBondContact O-N 3.25Å; I1150-T1154 PolarHBondContact O-OG1 3.35Å; I1150-I1166 HydrophobicContact CG2-CG2 3.35Å; I1150-Q1169 HydrophobicContact CD1-CG 4.13Å; I1150-L1170 HydrophobicContact CB-CD2 3.91Å; I1150-L1170 HydrophobicContact CB-CG 4.45Å; I1150-L1170 HydrophobicContact CD1-CD2 4.23Å; I1150-L1170 HydrophobicContact CG2-CD1 3.91Å; I1150-L1170 HydrophobicContact CG2-CD2 3.71Å; I1150-L1170 HydrophobicContact CG2-CG 3.7Å; I1150-L1173 HydrophobicContact CD1-CD1 3.55Å |
| 1151 | L | 93.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -37.5 | -179.4 | -72.7 | 173.4 | 0 | 0 | 0 | 112.8 | A1126 L1129 F1130 L1133 V1147 F1148 W1156 L1170 | A1126-L1151 HydrophobicContact CB-CD2 4.24Å; L1129-L1151 HydrophobicContact CD2-CD1 4.34Å; L1129-L1151 HydrophobicContact CD2-CD2 4.19Å; L1129-L1151 HydrophobicContact CG-CD1 4.25Å; F1130-L1151 HydrophobicContact CB-CD1 4.15Å; F1130-L1151 HydrophobicContact CD2-CB 4.09Å; F1130-L1151 HydrophobicContact CD2-CD1 4.4Å; L1133-L1151 HydrophobicContact CD1-CD1 4.28Å; V1147-L1151 HydrophobicContact CG1-CD1 3.91Å; V1147-L1151 HydrophobicContact CG1-CG 4.44Å; V1147-L1151 WeakPolarHBondContact O-CG 3.43Å; V1147-L1151 PolarHBondContact O-N 3.41Å; F1148-L1151 PolarHBondContact O-N 3.06Å; L1151-W1156 HydrophobicContact CD2-CZ2 4.12Å; L1151-W1156 PolarHBondContact O-NE1 3.3Å; L1151-L1170 HydrophobicContact CD2-CD1 3.81Å; L1151-L1170 HydrophobicContact CD2-CD2 4.46Å; L1151-L1170 HydrophobicContact CG-CD1 4.49Å; L1151-L1170 HydrophobicContact CG-CD2 4.32Å |
| 1152 | E | 91.8 | Very high | 90 | Very high | 149 Ų | 149 | 62.1 Ų | 62.1 | 70% | 0.696 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -82.9 | -41.4 | -177.2 | -171.2 | 178.7 | -168.4 | 0 | 0 | 113.4 | F1148 Q1149 I1150 | F1148-E1152 WeakPolarHBondContact O-CB 3.48Å; F1148-E1152 PolarHBondContact O-N 3.09Å; Q1149-E1152 PolarHBondContact O-N 3.15Å; I1150-E1152 VanDerWaalsContact C-N 3.31Å; I1150-E1152 PolarHBondContact O-N 3.4Å |
| 1153 | Q | 91.1 | Very high | 90.6 | Very high | 153 Ų | 153 | 57.8 Ų | 57.8 | 72% | 0.715 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -86.2 | -17.1 | -172.6 | -64.2 | -179.3 | 0.5 | 0 | 0 | 114.1 | Q1149 D1155 | Q1149-Q1153 VanDerWaalsContact O-CB 3.25Å; Q1149-Q1153 WeakPolarHBondContact O-CB 3.3Å; Q1149-Q1153 VanDerWaalsContact O-CG 3.31Å; Q1149-Q1153 WeakPolarHBondContact O-CG 3.24Å; Q1149-Q1153 PolarHBondContact O-N 3.19Å; Q1153-D1155 PolarHBondContact O-N 3.06Å |
| 1154 | T | 93.2 | Very high | 91.1 | Very high | 22 Ų | 22 | 60 Ų | 60 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -73.8 | 126 | -179.7 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | I1150 W1156 V1163 I1166 | I1150-T1154 VanDerWaalsContact O-CB 3.25Å; I1150-T1154 WeakPolarHBondContact O-CB 3.27Å; I1150-T1154 PolarHBondContact O-N 3.25Å; I1150-T1154 PolarHBondContact O-OG1 3.35Å; T1154-W1156 HydrophobicContact CG2-CD2 3.92Å; T1154-W1156 HydrophobicContact CG2-CE3 3.95Å; T1154-W1156 HydrophobicContact CG2-CH2 3.9Å; T1154-W1156 HydrophobicContact CG2-CZ2 3.87Å; T1154-W1156 HydrophobicContact CG2-CZ3 3.94Å; T1154-W1156 PolarHBondContact O-N 2.93Å; T1154-W1156 PolarHBondContact O-NE1 2.85Å; T1154-V1163 HydrophobicContact CG2-CG1 4.29Å; T1154-I1166 HydrophobicContact CG2-CD1 3.61Å; T1154-I1166 HydrophobicContact CG2-CG2 4.22Å |
| 1155 | D | 92.4 | Very high | 91.4 | Very high | 96 Ų | 96 | 65.1 Ų | 65.1 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | trans | -74.4 | 94.2 | 168.5 | -178.4 | 14.3 | 0 | 0 | 0 | 110.5 | Q1153 N1157 A1158 | Q1153-D1155 PolarHBondContact O-N 3.06Å; D1155-N1157 PolarHBondContact O-N 3.1Å; D1155-N1157 VanDerWaalsContact OD1-CB 3.26Å; D1155-N1157 WeakPolarHBondContact OD1-CB 3.14Å; D1155-N1157 PolarHBondContact OD1-N 3.03Å; D1155-N1157 PolarHBondContact OD1-ND2 3.3Å; D1155-A1158 VanDerWaalsContact O-CB 3.3Å; D1155-A1158 WeakPolarHBondContact O-CB 3.46Å; D1155-A1158 PolarHBondContact O-N 3.23Å | ||
| 1156 | W | 94 | Very high | 91.7 | Very high | 14 Ų | 14 | 63 Ų | 63 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -1.4 | 177.3 | -58.5 | 106.7 | 0 | 0 | 0 | 114.1 | L1114 R1122 R1123 A1126 L1151 T1154 V1163 I1166 L1170 | L1114-W1156 HydrophobicContact CB-CE3 4.44Å; L1114-W1156 HydrophobicContact CB-CH2 4.43Å; L1114-W1156 HydrophobicContact CB-CZ3 3.87Å; L1114-W1156 HydrophobicContact CD1-CH2 3.85Å; L1114-W1156 HydrophobicContact CD1-CZ3 4.14Å; L1114-W1156 HydrophobicContact CD2-CD2 4.46Å; L1114-W1156 HydrophobicContact CD2-CE3 4.15Å; L1114-W1156 HydrophobicContact CD2-CH2 4.06Å; L1114-W1156 HydrophobicContact CD2-CZ2 4.35Å; L1114-W1156 HydrophobicContact CD2-CZ3 3.95Å; L1114-W1156 HydrophobicContact CG-CH2 4.35Å; L1114-W1156 HydrophobicContact CG-CZ3 4.21Å; R1122-W1156 HydrophobicContact CB-CB 4.15Å; R1122-W1156 PolarHBondContact NE-O 2.86Å; R1122-W1156 PolarHBondContact NH2-O 3.45Å; R1123-W1156 HydrophobicContact CG-CB 3.75Å; A1126-W1156 HydrophobicContact CB-CD2 4.04Å; A1126-W1156 HydrophobicContact CB-CG 4.17Å; A1126-W1156 HydrophobicContact CB-CZ2 4.04Å; A1126-W1156 VanDerWaalsContact CB-NE1 3.28Å; L1151-W1156 HydrophobicContact CD2-CZ2 4.12Å; L1151-W1156 PolarHBondContact O-NE1 3.3Å; T1154-W1156 HydrophobicContact CG2-CD2 3.92Å; T1154-W1156 HydrophobicContact CG2-CE3 3.95Å; T1154-W1156 HydrophobicContact CG2-CH2 3.9Å; T1154-W1156 HydrophobicContact CG2-CZ2 3.87Å; T1154-W1156 HydrophobicContact CG2-CZ3 3.94Å; T1154-W1156 PolarHBondContact O-N 2.93Å; T1154-W1156 PolarHBondContact O-NE1 2.85Å; W1156-V1163 HydrophobicContact CE3-CB 4.42Å; W1156-V1163 HydrophobicContact CE3-CG1 4.27Å; W1156-V1163 HydrophobicContact CZ3-CB 4.28Å; W1156-I1166 HydrophobicContact CH2-CG2 4.35Å; W1156-L1170 HydrophobicContact CH2-CD1 3.94Å; W1156-L1170 HydrophobicContact CZ2-CD1 4.41Å |
| 1157 | N | 92 | Very high | 91.9 | Very high | 82 Ų | 82 | 61.9 Ų | 61.9 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -11.2 | 169.9 | -54.7 | -66.8 | 0 | 0 | 0 | 114.3 | R1122 D1155 | R1122-N1157 PolarHBondContact NH2-O 3.06Å; D1155-N1157 PolarHBondContact O-N 3.1Å; D1155-N1157 VanDerWaalsContact OD1-CB 3.26Å; D1155-N1157 WeakPolarHBondContact OD1-CB 3.14Å; D1155-N1157 PolarHBondContact OD1-N 3.03Å; D1155-N1157 PolarHBondContact OD1-ND2 3.3Å |
| 1158 | A | 91.6 | Very high | 91.9 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 24% | 0.24 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -58.7 | 169.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1122 D1155 D1162 V1163 | R1122-A1158 PolarHBondContact NH2-O 3Å; D1155-A1158 VanDerWaalsContact O-CB 3.3Å; D1155-A1158 WeakPolarHBondContact O-CB 3.46Å; D1155-A1158 PolarHBondContact O-N 3.23Å; A1158-D1162 HydrophobicContact CB-CB 4.02Å; A1158-V1163 HydrophobicContact CB-CG1 4.16Å |
| 1159 | A | 90 | Very high | 91.9 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | trans | -61.2 | 153.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1161 D1162 V1163 | A1159-E1161 VanDerWaalsContact CB-OE2 3.25Å; A1159-E1161 WeakPolarHBondContact CB-OE2 3.14Å; A1159-E1161 PolarHBondContact O-N 3.44Å; A1159-D1162 WeakPolarHBondContact CB-OD2 3.29Å; A1159-D1162 PolarHBondContact N-OD2 3.27Å; A1159-D1162 WeakPolarHBondContact O-CB 3.31Å; A1159-D1162 PolarHBondContact O-N 3.38Å; A1159-V1163 PolarHBondContact O-N 3.38Å | ||
| 1160 | V | 91.7 | Very high | 92 | Very high | 33 Ų | 33 | 64 Ų | 64 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -37.3 | -176.1 | 174.5 | 0 | 0 | 0 | 0 | 110 | R1122 D1162 V1163 E1164 | R1122-V1160 VanDerWaalsContact NH1-CG2 3.35Å; V1160-D1162 VanDerWaalsContact C-N 3.25Å; V1160-D1162 PolarHBondContact O-N 3.3Å; V1160-V1163 VanDerWaalsContact O-CG2 3.28Å; V1160-V1163 WeakPolarHBondContact O-CG2 3.44Å; V1160-V1163 PolarHBondContact O-N 3.34Å; V1160-V1163 VanDerWaalsContact O-N 3.15Å; V1160-E1164 HydrophobicContact CG1-CG 4.18Å; V1160-E1164 WeakPolarHBondContact O-CG 3.5Å; V1160-E1164 PolarHBondContact O-N 2.87Å |
| 1161 | E | 90.6 | Very high | 91.8 | Very high | 135 Ų | 135 | 64.7 Ų | 64.7 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.3 | -35.4 | 176.9 | -57 | 80 | -177 | 0 | 0 | 112.1 | A1159 | A1159-E1161 VanDerWaalsContact CB-OE2 3.25Å; A1159-E1161 WeakPolarHBondContact CB-OE2 3.14Å; A1159-E1161 PolarHBondContact O-N 3.44Å |
| 1162 | D | 89.4 | Confident | 91.5 | Very high | 90 Ų | 90 | 67.9 Ų | 67.9 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77.5 | -24.3 | -180 | -59.3 | -36.6 | 0 | 0 | 0 | 112.3 | A1158 A1159 V1160 H1165 | A1158-D1162 HydrophobicContact CB-CB 4.02Å; A1159-D1162 WeakPolarHBondContact CB-OD2 3.29Å; A1159-D1162 PolarHBondContact N-OD2 3.27Å; A1159-D1162 WeakPolarHBondContact O-CB 3.31Å; A1159-D1162 PolarHBondContact O-N 3.38Å; V1160-D1162 VanDerWaalsContact C-N 3.25Å; V1160-D1162 PolarHBondContact O-N 3.3Å; D1162-H1165 PolarHBondContact O-CE1 3.41Å; D1162-H1165 PolarHBondContact O-ND1 3.47Å |
| 1163 | V | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -100.1 | -14.7 | -179.9 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | T1154 W1156 A1158 A1159 V1160 H1165 I1166 R1167 | T1154-V1163 HydrophobicContact CG2-CG1 4.29Å; W1156-V1163 HydrophobicContact CE3-CB 4.42Å; W1156-V1163 HydrophobicContact CE3-CG1 4.27Å; W1156-V1163 HydrophobicContact CZ3-CB 4.28Å; A1158-V1163 HydrophobicContact CB-CG1 4.16Å; A1159-V1163 PolarHBondContact O-N 3.38Å; V1160-V1163 VanDerWaalsContact O-CG2 3.28Å; V1160-V1163 WeakPolarHBondContact O-CG2 3.44Å; V1160-V1163 PolarHBondContact O-N 3.34Å; V1160-V1163 VanDerWaalsContact O-N 3.15Å; V1163-H1165 PolarHBondContact O-N 2.95Å; V1163-I1166 PolarHBondContact O-N 2.96Å; V1163-R1167 PolarHBondContact O-N 2.83Å |
| 1164 | E | 92.2 | Very high | 91.2 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 39% | 0.393 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 179.7 | -91 | -179.5 | -179.5 | 0 | 0 | 112.8 | T1115 V1160 I1166 R1167 D1168 | T1115-E1164 HydrophobicContact CG2-CB 4.49Å; T1115-E1164 HydrophobicContact CG2-CG 3.72Å; V1160-E1164 HydrophobicContact CG1-CG 4.18Å; V1160-E1164 WeakPolarHBondContact O-CG 3.5Å; V1160-E1164 PolarHBondContact O-N 2.87Å; E1164-I1166 VanDerWaalsContact C-N 3.33Å; E1164-I1166 PolarHBondContact O-N 2.9Å; E1164-R1167 WeakPolarHBondContact O-CB 3.45Å; E1164-R1167 PolarHBondContact O-N 2.57Å; E1164-R1167 PolarHBondContact O-NE 3.09Å; E1164-R1167 PolarHBondContact O-NH2 2.87Å; E1164-D1168 PolarHBondContact O-N 2.97Å |
| 1165 | H | 91.7 | Very high | 90.7 | Very high | 120 Ų | 120 | 56.1 Ų | 56.1 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.4 | -35.6 | 179.5 | 71.7 | -86.4 | 0 | 0 | 0 | 112.3 | D1162 V1163 D1168 Q1169 | D1162-H1165 PolarHBondContact O-CE1 3.41Å; D1162-H1165 PolarHBondContact O-ND1 3.47Å; V1163-H1165 PolarHBondContact O-N 2.95Å; H1165-D1168 PolarHBondContact O-N 2.81Å; H1165-Q1169 PolarHBondContact O-N 2.58Å |
| 1166 | I | 92.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 175.8 | -55.8 | 178.9 | 0 | 0 | 0 | 110.1 | I1150 T1154 W1156 V1163 E1164 D1168 Q1169 L1170 | I1150-I1166 HydrophobicContact CG2-CG2 3.35Å; T1154-I1166 HydrophobicContact CG2-CD1 3.61Å; T1154-I1166 HydrophobicContact CG2-CG2 4.22Å; W1156-I1166 HydrophobicContact CH2-CG2 4.35Å; V1163-I1166 PolarHBondContact O-N 2.96Å; E1164-I1166 VanDerWaalsContact C-N 3.33Å; E1164-I1166 PolarHBondContact O-N 2.9Å; I1166-D1168 PolarHBondContact O-N 3.42Å; I1166-Q1169 WeakPolarHBondContact O-CB 3.36Å; I1166-Q1169 PolarHBondContact O-N 3.26Å; I1166-L1170 PolarHBondContact O-N 3.35Å |
| 1167 | R | 93 | Very high | 89.6 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 18% | 0.177 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 173.2 | 173.6 | -120.3 | 31.5 | -146 | -6.6 | 111.3 | L1111 L1114 T1115 V1163 E1164 Q1169 L1170 V1171 | L1111-R1167 HydrophobicContact CB-CG 4.49Å; L1114-R1167 HydrophobicContact CB-CB 4.42Å; L1114-R1167 HydrophobicContact CB-CG 4.33Å; T1115-R1167 HydrophobicContact CG2-CB 4.09Å; T1115-R1167 HydrophobicContact CG2-CG 4.2Å; V1163-R1167 PolarHBondContact O-N 2.83Å; E1164-R1167 WeakPolarHBondContact O-CB 3.45Å; E1164-R1167 PolarHBondContact O-N 2.57Å; E1164-R1167 PolarHBondContact O-NE 3.09Å; E1164-R1167 PolarHBondContact O-NH2 2.87Å; R1167-Q1169 VanDerWaalsContact C-N 3.32Å; R1167-Q1169 PolarHBondContact O-N 3.43Å; R1167-L1170 WeakPolarHBondContact O-CB 3.4Å; R1167-L1170 PolarHBondContact O-N 2.89Å; R1167-V1171 HydrophobicContact CG-CG2 4.49Å; R1167-V1171 WeakPolarHBondContact O-CG2 3.5Å; R1167-V1171 PolarHBondContact O-N 3.17Å |
| 1168 | D | 91.3 | Very high | 88.9 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 177.3 | -68.3 | -29.2 | 0 | 0 | 0 | 112.7 | E1164 H1165 I1166 V1171 S1172 | E1164-D1168 PolarHBondContact O-N 2.97Å; H1165-D1168 PolarHBondContact O-N 2.81Å; I1166-D1168 PolarHBondContact O-N 3.42Å; D1168-V1171 PolarHBondContact O-N 3.14Å; D1168-S1172 PolarHBondContact O-N 2.95Å |
| 1169 | Q | 92.3 | Very high | 87.9 | Confident | 100 Ų | 100 | 54 Ų | 54 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 171.6 | -173.7 | -178.9 | -0.1 | 0 | 0 | 111.4 | I1150 H1165 I1166 R1167 S1172 L1173 | I1150-Q1169 HydrophobicContact CD1-CG 4.13Å; H1165-Q1169 PolarHBondContact O-N 2.58Å; I1166-Q1169 WeakPolarHBondContact O-CB 3.36Å; I1166-Q1169 PolarHBondContact O-N 3.26Å; R1167-Q1169 VanDerWaalsContact C-N 3.32Å; R1167-Q1169 PolarHBondContact O-N 3.43Å; Q1169-S1172 PolarHBondContact O-N 3.35Å; Q1169-L1173 HydrophobicContact CG-CD1 4.22Å; Q1169-L1173 WeakPolarHBondContact O-CG 3.48Å; Q1169-L1173 PolarHBondContact O-N 3.39Å |
| 1170 | L | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 174.8 | -75.8 | 171.9 | 0 | 0 | 0 | 112.6 | L1111 L1114 V1147 I1150 L1151 W1156 I1166 R1167 S1172 L1173 L1174 | L1111-L1170 HydrophobicContact CD2-CB 4.06Å; L1111-L1170 HydrophobicContact CD2-CD1 4.41Å; L1114-L1170 HydrophobicContact CD1-CD1 3.66Å; V1147-L1170 HydrophobicContact CG1-CD2 4.08Å; I1150-L1170 HydrophobicContact CB-CD2 3.91Å; I1150-L1170 HydrophobicContact CB-CG 4.45Å; I1150-L1170 HydrophobicContact CD1-CD2 4.23Å; I1150-L1170 HydrophobicContact CG2-CD1 3.91Å; I1150-L1170 HydrophobicContact CG2-CD2 3.71Å; I1150-L1170 HydrophobicContact CG2-CG 3.7Å; L1151-L1170 HydrophobicContact CD2-CD1 3.81Å; L1151-L1170 HydrophobicContact CD2-CD2 4.46Å; L1151-L1170 HydrophobicContact CG-CD1 4.49Å; L1151-L1170 HydrophobicContact CG-CD2 4.32Å; W1156-L1170 HydrophobicContact CH2-CD1 3.94Å; W1156-L1170 HydrophobicContact CZ2-CD1 4.41Å; I1166-L1170 PolarHBondContact O-N 3.35Å; R1167-L1170 WeakPolarHBondContact O-CB 3.4Å; R1167-L1170 PolarHBondContact O-N 2.89Å; L1170-S1172 VanDerWaalsContact C-N 3.31Å; L1170-S1172 PolarHBondContact O-N 3.04Å; L1170-L1173 PolarHBondContact O-N 3.09Å; L1170-L1174 WeakPolarHBondContact O-CB 3.46Å; L1170-L1174 WeakPolarHBondContact O-CG 3.37Å; L1170-L1174 PolarHBondContact O-N 3.02Å |
| 1171 | V | 89.1 | Confident | 86.6 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | L1111 R1167 D1168 N1175 | L1111-V1171 HydrophobicContact CB-CG2 4.16Å; L1111-V1171 HydrophobicContact CD1-CB 4.13Å; L1111-V1171 HydrophobicContact CD1-CG2 3.46Å; L1111-V1171 VanDerWaalsContact CD1-CG2 3.46Å; L1111-V1171 HydrophobicContact CG-CG2 4.41Å; R1167-V1171 HydrophobicContact CG-CG2 4.49Å; R1167-V1171 WeakPolarHBondContact O-CG2 3.5Å; R1167-V1171 PolarHBondContact O-N 3.17Å; D1168-V1171 PolarHBondContact O-N 3.14Å; V1171-N1175 WeakPolarHBondContact CG1-ND2 3.3Å; V1171-N1175 VanDerWaalsContact O-CB 3.24Å; V1171-N1175 WeakPolarHBondContact O-CB 3.46Å; V1171-N1175 PolarHBondContact O-N 3.37Å; V1171-N1175 PolarHBondContact O-ND2 3.47Å; V1171-N1175 VanDerWaalsContact O-ND2 3.09Å |
| 1172 | S | 87 | Confident | 86.3 | Confident | 74 Ų | 74 | 52.3 Ų | 52.3 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -52.4 | 178 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | D1168 Q1169 L1170 L1174 N1175 T1176 | D1168-S1172 PolarHBondContact O-N 2.95Å; Q1169-S1172 PolarHBondContact O-N 3.35Å; L1170-S1172 VanDerWaalsContact C-N 3.31Å; L1170-S1172 PolarHBondContact O-N 3.04Å; S1172-L1174 PolarHBondContact O-N 3.41Å; S1172-N1175 PolarHBondContact O-N 2.88Å; S1172-T1176 PolarHBondContact O-N 3.34Å; S1172-T1176 PolarHBondContact O-OG1 3.14Å |
| 1173 | L | 89 | Confident | 86.2 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.131 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | -178.1 | -71.1 | 169.9 | 0 | 0 | 0 | 111.9 | L1143 N1146 V1147 I1150 Q1169 L1170 T1176 I1177 | L1143-L1173 HydrophobicContact CD2-CD2 3.99Å; N1146-L1173 HydrophobicContact CB-CD1 4.35Å; V1147-L1173 HydrophobicContact CG2-CB 3.83Å; V1147-L1173 HydrophobicContact CG2-CD1 4.2Å; I1150-L1173 HydrophobicContact CD1-CD1 3.55Å; Q1169-L1173 HydrophobicContact CG-CD1 4.22Å; Q1169-L1173 WeakPolarHBondContact O-CG 3.48Å; Q1169-L1173 PolarHBondContact O-N 3.39Å; L1170-L1173 PolarHBondContact O-N 3.09Å; L1173-T1176 WeakPolarHBondContact O-CB 3.45Å; L1173-T1176 PolarHBondContact O-N 3.31Å; L1173-I1177 WeakPolarHBondContact O-CD1 3.38Å; L1173-I1177 VanDerWaalsContact O-CG1 3.24Å; L1173-I1177 WeakPolarHBondContact O-CG1 3.26Å; L1173-I1177 PolarHBondContact O-N 3.47Å |
| 1174 | L | 87.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69 | -36.5 | -178.5 | -74.9 | 167.5 | 0 | 0 | 0 | 112.5 | I1107 L1111 L1129 L1133 V1147 L1170 S1172 T1176 I1177 V1178 | I1107-L1174 HydrophobicContact CG2-CB 3.97Å; I1107-L1174 HydrophobicContact CG2-CD1 3.97Å; L1111-L1174 HydrophobicContact CD1-CD1 4.03Å; L1111-L1174 HydrophobicContact CD2-CD1 4.17Å; L1111-L1174 HydrophobicContact CG-CD1 4.49Å; L1129-L1174 HydrophobicContact CD2-CD1 4.31Å; L1133-L1174 HydrophobicContact CD1-CD2 3.88Å; L1133-L1174 HydrophobicContact CD2-CD2 4.2Å; V1147-L1174 HydrophobicContact CG1-CD2 4.13Å; V1147-L1174 HydrophobicContact CG1-CG 4.37Å; V1147-L1174 HydrophobicContact CG2-CD2 4.22Å; V1147-L1174 HydrophobicContact CG2-CG 4.23Å; L1170-L1174 WeakPolarHBondContact O-CB 3.46Å; L1170-L1174 WeakPolarHBondContact O-CG 3.37Å; L1170-L1174 PolarHBondContact O-N 3.02Å; S1172-L1174 PolarHBondContact O-N 3.41Å; L1174-T1176 VanDerWaalsContact C-N 3.32Å; L1174-T1176 PolarHBondContact O-N 3.04Å; L1174-I1177 HydrophobicContact CD2-CD1 4.36Å; L1174-I1177 PolarHBondContact O-N 3.22Å; L1174-V1178 WeakPolarHBondContact O-CB 3.48Å; L1174-V1178 VanDerWaalsContact O-CG2 3.25Å; L1174-V1178 WeakPolarHBondContact O-CG2 3.49Å; L1174-V1178 PolarHBondContact O-N 3.3Å |
| 1175 | N | 82 | Confident | 85.4 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 172.7 | -77.4 | -31.3 | 0 | 0 | 0 | 111.4 | V1171 S1172 V1178 S1179 | V1171-N1175 WeakPolarHBondContact CG1-ND2 3.3Å; V1171-N1175 VanDerWaalsContact O-CB 3.24Å; V1171-N1175 WeakPolarHBondContact O-CB 3.46Å; V1171-N1175 PolarHBondContact O-N 3.37Å; V1171-N1175 PolarHBondContact O-ND2 3.47Å; V1171-N1175 VanDerWaalsContact O-ND2 3.09Å; S1172-N1175 PolarHBondContact O-N 2.88Å; N1175-V1178 PolarHBondContact O-N 3.41Å; N1175-S1179 VanDerWaalsContact O-CB 3.26Å; N1175-S1179 WeakPolarHBondContact O-CB 2.91Å; N1175-S1179 PolarHBondContact O-N 3.02Å; N1175-S1179 PolarHBondContact O-OG 3.32Å |
| 1176 | T | 82.4 | Confident | 84.9 | Confident | 64 Ų | 64 | 46.5 Ų | 46.5 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 173.4 | -56.1 | 0 | 0 | 0 | 0 | 111 | L1143 S1172 L1173 L1174 V1178 S1179 A1180 | L1143-T1176 HydrophobicContact CD1-CG2 3.92Å; S1172-T1176 PolarHBondContact O-N 3.34Å; S1172-T1176 PolarHBondContact O-OG1 3.14Å; L1173-T1176 WeakPolarHBondContact O-CB 3.45Å; L1173-T1176 PolarHBondContact O-N 3.31Å; L1174-T1176 VanDerWaalsContact C-N 3.32Å; L1174-T1176 PolarHBondContact O-N 3.04Å; T1176-V1178 PolarHBondContact O-N 3.47Å; T1176-S1179 WeakPolarHBondContact CA-OG 3.31Å; T1176-S1179 PolarHBondContact O-N 3.42Å; T1176-S1179 PolarHBondContact O-OG 2.84Å; T1176-A1180 PolarHBondContact O-N 3.47Å |
| 1177 | I | 81.2 | Confident | 84.4 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 179.8 | -65.4 | 161 | 0 | 0 | 0 | 112.1 | L1138 L1143 M1144 V1147 L1173 L1174 | L1138-I1177 HydrophobicContact CB-CG2 4.31Å; L1138-I1177 HydrophobicContact CD1-CG2 3.9Å; L1138-I1177 HydrophobicContact CD2-CG2 4.4Å; L1138-I1177 HydrophobicContact CG-CG2 4.41Å; L1143-I1177 HydrophobicContact CB-CD1 3.83Å; L1143-I1177 HydrophobicContact CB-CG1 3.74Å; L1143-I1177 HydrophobicContact CD1-CG1 4.06Å; M1144-I1177 HydrophobicContact CG-CD1 4.28Å; M1144-I1177 HydrophobicContact SD-CD1 3.76Å; M1144-I1177 HydrophobicContact SD-CG2 4.15Å; V1147-I1177 HydrophobicContact CG2-CD1 3.8Å; L1173-I1177 WeakPolarHBondContact O-CD1 3.38Å; L1173-I1177 VanDerWaalsContact O-CG1 3.24Å; L1173-I1177 WeakPolarHBondContact O-CG1 3.26Å; L1173-I1177 PolarHBondContact O-N 3.47Å; L1174-I1177 HydrophobicContact CD2-CD1 4.36Å; L1174-I1177 PolarHBondContact O-N 3.22Å |
| 1178 | V | 77 | Confident | 83.8 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.8 | -28.5 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | R1100 I1107 L1174 N1175 T1176 | R1100-V1178 HydrophobicContact CB-CG1 4.33Å; I1107-V1178 HydrophobicContact CD1-CG2 3.46Å; I1107-V1178 VanDerWaalsContact CD1-CG2 3.46Å; L1174-V1178 WeakPolarHBondContact O-CB 3.48Å; L1174-V1178 VanDerWaalsContact O-CG2 3.25Å; L1174-V1178 WeakPolarHBondContact O-CG2 3.49Å; L1174-V1178 PolarHBondContact O-N 3.3Å; N1175-V1178 PolarHBondContact O-N 3.41Å; T1176-V1178 PolarHBondContact O-N 3.47Å |
| 1179 | S | 71.5 | Confident | 83.1 | Confident | 81 Ų | 81 | 44.8 Ų | 44.8 | 57% | 0.566 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -74.1 | -36.4 | 177.2 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | R1100 N1175 T1176 | R1100-S1179 PolarHBondContact NH1-O 2.79Å; N1175-S1179 VanDerWaalsContact O-CB 3.26Å; N1175-S1179 WeakPolarHBondContact O-CB 2.91Å; N1175-S1179 PolarHBondContact O-N 3.02Å; N1175-S1179 PolarHBondContact O-OG 3.32Å; T1176-S1179 WeakPolarHBondContact CA-OG 3.31Å; T1176-S1179 PolarHBondContact O-N 3.42Å; T1176-S1179 PolarHBondContact O-OG 2.84Å |
| 1180 | A | 65.9 | Low | 82.3 | Confident | 74 Ų | 74 | 39.8 Ų | 39.8 | 61% | 0.612 | 26% | 0.264 | S | S | * | . | trans | -61.6 | 0 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1100 T1176 | R1100-A1180 VanDerWaalsContact NH2-C 3.32Å; R1100-A1180 PolarHBondContact NH2-O 3.42Å; R1100-A1180 PolarHBondContact NH2-OXT 3.32Å; T1176-A1180 PolarHBondContact O-N 3.47Å |
Retrieved 1,180 of 1,180 residues in 2308.4 ms
(Link to these results)