| 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 | 31.7 | Very low | 45.5 | Very low | 246 Ų | 246 | 128.4 Ų | 128.4 | 100% | 1.212 | 73% | 0.725 | S | S | * | * | 0 | 104.4 | 0 | -63.3 | -168.9 | -150.8 | 0 | 0 | 106.8 | |||||
| 2 | A | 35.4 | Very low | 47 | Very low | 102 Ų | 102 | 121.4 Ų | 121.4 | 84% | 0.843 | 68% | 0.684 | S | S | * | * | trans | -77.4 | 122 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | E4 | A2-E4 PolarHBondContact O-N 3.34Š| ||
| 3 | G | 37.2 | Very low | 48.5 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | -68.9 | 115.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q5 | G3-Q5 PolarHBondContact O-N 3.45Š| ||
| 4 | E | 36.3 | Very low | 50.1 | Low | 197 Ų | 197 | 121.6 Ų | 121.6 | 92% | 0.921 | 67% | 0.668 | S | S | * | * | trans | -67.8 | 97.8 | 164.2 | -69.9 | -177.7 | 112.8 | 0 | 0 | 108 | A2 K6 | A2-E4 PolarHBondContact O-N 3.34Å; E4-K6 PolarHBondContact O-N 3.2Å | ||
| 5 | Q | 39.8 | Very low | 51.5 | Low | 191 Ų | 191 | 114.3 Ų | 114.3 | 89% | 0.893 | 63% | 0.627 | S | S | * | * | trans | -67.3 | 101.8 | 164.1 | -104.6 | -177.1 | -11.3 | 0 | 0 | 107.6 | G3 P7 | G3-Q5 PolarHBondContact O-N 3.45Å; Q5-P7 WeakPolarHBondContact O-CD 3.41Å | ||
| 6 | K | 39.4 | Very low | 52.6 | Low | 198 Ų | 198 | 108.6 Ų | 108.6 | 86% | 0.861 | 60% | 0.595 | S | S | * | * | trans | -58 | 115.3 | 169.2 | -158.1 | 172.1 | -170.2 | 174.9 | 0 | 107.7 | E4 | E4-K6 PolarHBondContact O-N 3.2Š| ||
| 7 | P | 45.7 | Very low | 53.7 | Low | 81 Ų | 81 | 109.6 Ų | 109.6 | 53% | 0.526 | 60% | 0.599 | S | S | . | * | trans | -63.8 | 143.5 | -178.8 | 26.4 | -32.5 | 0 | 0 | 0 | 109.5 | Q5 S9 G39 | Q5-P7 WeakPolarHBondContact O-CD 3.41Å; P7-S9 PolarHBondContact O-N 3.48Å; P7-G39 WeakPolarHBondContact CB-O 3.44Å | ||
| 8 | S | 50.9 | Low | 54.6 | Low | 53 Ų | 53 | 108.1 Ų | 108.1 | 37% | 0.371 | 59% | 0.59 | S | S | . | * | trans | -58.1 | 93.3 | -176.7 | 32.2 | 0 | 0 | 0 | 0 | 111.8 | N10 L11 | S8-N10 PolarHBondContact O-N 3.12Å; S8-L11 PolarHBondContact O-N 3.04Å; S8-L11 WeakPolarHBondContact OG-CD1 3.45Å | ||
| 9 | S | 54.3 | Low | 55.1 | Low | 80 Ų | 80 | 102.4 Ų | 102.4 | 56% | 0.559 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -52.6 | -30.2 | 176.8 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | P7 L11 E13 | P7-S9 PolarHBondContact O-N 3.48Å; S9-L11 PolarHBondContact O-N 3.41Å; S9-E13 PolarHBondContact O-N 3.48Å |
| 10 | N | 63.4 | Low | 55.6 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.6 | -34 | 175.7 | -90.5 | -83.3 | 0 | 0 | 0 | 113.9 | S8 Q14 | S8-N10 PolarHBondContact O-N 3.12Å; N10-Q14 WeakPolarHBondContact O-CB 3.47Å; N10-Q14 PolarHBondContact O-N 3.26Å |
| 11 | L | 66.7 | Low | 55.8 | Low | 62 Ų | 62 | 102 Ų | 102 | 33% | 0.325 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -72.8 | -41.7 | -178 | -94.5 | 156.1 | 0 | 0 | 0 | 110.6 | S8 S9 Q14 F15 | S8-L11 PolarHBondContact O-N 3.04Å; S8-L11 WeakPolarHBondContact OG-CD1 3.45Å; S9-L11 PolarHBondContact O-N 3.41Å; L11-Q14 PolarHBondContact O-N 3.44Å; L11-F15 HydrophobicContact CB-CD2 4.49Å; L11-F15 HydrophobicContact CB-CE2 4.28Å; L11-F15 HydrophobicContact CD2-CE2 3.77Å; L11-F15 HydrophobicContact CD2-CZ 4.12Å; L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 WeakPolarHBondContact O-CG 3.4Å; L11-F15 PolarHBondContact O-N 2.93Å |
| 12 | L | 62.9 | Low | 57.2 | Low | 45 Ų | 45 | 91.9 Ų | 91.9 | 24% | 0.236 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 176.5 | -171.2 | 67.7 | 0 | 0 | 0 | 111.3 | Q14 F15 I16 V40 | L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 3.15Å; L12-F15 PolarHBondContact O-N 3.23Å; L12-I16 HydrophobicContact CG-CD1 4Å; L12-I16 WeakPolarHBondContact O-CB 3.41Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.38Å; L12-I16 PolarHBondContact O-N 2.95Å; L12-V40 HydrophobicContact CD1-CG1 4.1Å |
| 13 | E | 66.6 | Low | 58.2 | Low | 132 Ų | 132 | 91.5 Ų | 91.5 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -39.7 | 175 | -75.2 | -175.8 | -173.5 | 0 | 0 | 112.3 | S9 I16 L17 | S9-E13 PolarHBondContact O-N 3.48Å; E13-I16 PolarHBondContact O-N 2.68Å; E13-L17 WeakPolarHBondContact O-CB 3.47Å; E13-L17 PolarHBondContact O-N 3.44Å |
| 14 | Q | 71.6 | Confident | 59.7 | Low | 114 Ų | 114 | 90.4 Ų | 90.4 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 177.2 | -166.1 | 179 | 30.8 | 0 | 0 | 111.8 | N10 L11 L12 L17 L18 | N10-Q14 WeakPolarHBondContact O-CB 3.47Å; N10-Q14 PolarHBondContact O-N 3.26Å; L11-Q14 PolarHBondContact O-N 3.44Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 3.15Å; Q14-L17 PolarHBondContact O-N 3.21Å; Q14-L18 HydrophobicContact CG-CD1 4.43Å; Q14-L18 WeakPolarHBondContact O-CB 3.43Å; Q14-L18 VanDerWaalsContact O-CG 3.31Å; Q14-L18 WeakPolarHBondContact O-CG 3.43Å; Q14-L18 PolarHBondContact O-N 3.24Å |
| 15 | F | 70.9 | Confident | 60.8 | Low | 12 Ų | 12 | 86.1 Ų | 86.1 | 5% | 0.053 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 175.6 | -71.3 | -56.4 | 0 | 0 | 0 | 112.4 | L11 L12 L17 L18 A19 L30 Q33 V34 A37 | L11-F15 HydrophobicContact CB-CD2 4.49Å; L11-F15 HydrophobicContact CB-CE2 4.28Å; L11-F15 HydrophobicContact CD2-CE2 3.77Å; L11-F15 HydrophobicContact CD2-CZ 4.12Å; L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 WeakPolarHBondContact O-CG 3.4Å; L11-F15 PolarHBondContact O-N 2.93Å; L12-F15 PolarHBondContact O-N 3.23Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 PolarHBondContact O-N 3.01Å; F15-L18 PolarHBondContact O-N 3.49Å; F15-A19 VanDerWaalsContact O-CB 3.22Å; F15-A19 WeakPolarHBondContact O-CB 3.39Å; F15-A19 PolarHBondContact O-N 3.46Å; F15-L30 HydrophobicContact CD1-CD1 3.91Å; F15-L30 HydrophobicContact CE1-CD1 4.47Å; F15-Q33 HydrophobicContact CE1-CG 4.28Å; F15-V34 HydrophobicContact CB-CG2 3.84Å; F15-V34 HydrophobicContact CD1-CG2 3.44Å; F15-V34 VanDerWaalsContact CD1-CG2 3.44Å; F15-V34 HydrophobicContact CD2-CG2 3.98Å; F15-V34 HydrophobicContact CE1-CG2 3.87Å; F15-V34 HydrophobicContact CE2-CG2 4.37Å; F15-V34 HydrophobicContact CG-CG2 3.51Å; F15-V34 HydrophobicContact CZ-CG2 4.32Å; F15-A37 HydrophobicContact CE2-CB 3.92Å; F15-A37 HydrophobicContact CZ-CB 4.1Å |
| 16 | I | 68.1 | Low | 61.8 | Low | 23 Ų | 23 | 79.3 Ų | 79.3 | 12% | 0.118 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 173.3 | -73.9 | 168 | 0 | 0 | 0 | 110.8 | L12 E13 A19 K20 E45 L49 | L12-I16 HydrophobicContact CG-CD1 4Å; L12-I16 WeakPolarHBondContact O-CB 3.41Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.38Å; L12-I16 PolarHBondContact O-N 2.95Å; E13-I16 PolarHBondContact O-N 2.68Å; I16-A19 PolarHBondContact O-N 3.01Å; I16-K20 HydrophobicContact CG2-CD 4.3Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.37Å; I16-K20 PolarHBondContact O-N 3Å; I16-E45 HydrophobicContact CD1-CB 4.14Å; I16-E45 WeakPolarHBondContact CD1-OE2 3.49Å; I16-L49 HydrophobicContact CG2-CD2 4.11Å |
| 17 | L | 71.7 | Confident | 63 | Low | 126 Ų | 126 | 71.1 Ų | 71.1 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | 178.3 | -164.5 | 82.4 | 0 | 0 | 0 | 111.8 | E13 Q14 F15 A19 K20 G21 | E13-L17 WeakPolarHBondContact O-CB 3.47Å; E13-L17 PolarHBondContact O-N 3.44Å; Q14-L17 PolarHBondContact O-N 3.21Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 PolarHBondContact O-N 3.01Å; L17-A19 VanDerWaalsContact C-N 3.35Å; L17-K20 PolarHBondContact O-N 3.39Å; L17-G21 PolarHBondContact O-N 3.2Å |
| 18 | L | 69.4 | Low | 63.7 | Low | 81 Ų | 81 | 71.8 Ų | 71.8 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 176 | -74 | 167.7 | 0 | 0 | 0 | 111.4 | Q14 F15 K20 G21 T22 L30 | Q14-L18 HydrophobicContact CG-CD1 4.43Å; Q14-L18 WeakPolarHBondContact O-CB 3.43Å; Q14-L18 VanDerWaalsContact O-CG 3.31Å; Q14-L18 WeakPolarHBondContact O-CG 3.43Å; Q14-L18 PolarHBondContact O-N 3.24Å; F15-L18 PolarHBondContact O-N 3.49Å; L18-K20 PolarHBondContact O-N 2.94Å; L18-G21 PolarHBondContact O-N 3.27Å; L18-G21 VanDerWaalsContact O-N 3.16Å; L18-T22 WeakPolarHBondContact O-CB 3.42Å; L18-T22 WeakPolarHBondContact O-CG2 3.27Å; L18-T22 PolarHBondContact O-N 3.16Å; L18-T22 VanDerWaalsContact O-N 3.17Å; L18-T22 PolarHBondContact O-OG1 2.86Å; L18-L30 HydrophobicContact CB-CD1 3.72Å; L18-L30 HydrophobicContact CB-CD2 3.86Å; L18-L30 HydrophobicContact CB-CG 4.47Å; L18-L30 HydrophobicContact CD1-CD1 3.87Å; L18-L30 HydrophobicContact CG-CD1 4.42Å |
| 19 | A | 65.5 | Low | 64.6 | Low | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.008 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F15 I16 L17 G21 T22 L27 L30 L46 L49 N51 | F15-A19 VanDerWaalsContact O-CB 3.22Å; F15-A19 WeakPolarHBondContact O-CB 3.39Å; F15-A19 PolarHBondContact O-N 3.46Å; I16-A19 PolarHBondContact O-N 3.01Å; L17-A19 VanDerWaalsContact C-N 3.35Å; A19-G21 PolarHBondContact O-N 3.35Å; A19-G21 VanDerWaalsContact O-N 3.16Å; A19-T22 PolarHBondContact O-N 2.78Å; A19-L27 HydrophobicContact CB-CD1 4.25Å; A19-L30 HydrophobicContact CB-CD2 3.59Å; A19-L30 VanDerWaalsContact N-CD2 3.27Å; A19-L46 HydrophobicContact CB-CD1 4.26Å; A19-L49 HydrophobicContact CB-CD1 3.27Å; A19-N51 PolarHBondContact O-ND2 2.8Å |
| 20 | K | 64.1 | Low | 65.4 | Low | 130 Ų | 130 | 68.9 Ų | 68.9 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -55.6 | -30.4 | 174.9 | -75 | 172.4 | -179.8 | 178.3 | 0 | 113.9 | I16 L17 L18 L49 N51 | I16-K20 HydrophobicContact CG2-CD 4.3Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.37Å; I16-K20 PolarHBondContact O-N 3Å; L17-K20 PolarHBondContact O-N 3.39Å; L18-K20 PolarHBondContact O-N 2.94Å; K20-L49 HydrophobicContact CG-CD2 4.12Å; K20-N51 VanDerWaalsContact C-ND2 3.33Å; K20-N51 WeakPolarHBondContact CA-ND2 3.43Å; K20-N51 PolarHBondContact O-ND2 2.95Å; K20-N51 VanDerWaalsContact O-ND2 3.11Å |
| 21 | G | 59 | Low | 65.6 | Low | 67 Ų | 67 | 66.3 Ų | 66.3 | 69% | 0.691 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -99.6 | -1.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L17 L18 A19 | L17-G21 PolarHBondContact O-N 3.2Å; L18-G21 PolarHBondContact O-N 3.27Å; L18-G21 VanDerWaalsContact O-N 3.16Å; A19-G21 PolarHBondContact O-N 3.35Å; A19-G21 VanDerWaalsContact O-N 3.16Å |
| 22 | T | 62.7 | Low | 65.7 | Low | 33 Ų | 33 | 66.4 Ų | 66.4 | 20% | 0.202 | 41% | 0.408 | C | S | . | . | trans | -122.5 | 145.5 | -173.2 | 51.4 | 0 | 0 | 0 | 0 | 112 | L18 A19 A26 N51 | L18-T22 WeakPolarHBondContact O-CB 3.42Å; L18-T22 WeakPolarHBondContact O-CG2 3.27Å; L18-T22 PolarHBondContact O-N 3.16Å; L18-T22 VanDerWaalsContact O-N 3.17Å; L18-T22 PolarHBondContact O-OG1 2.86Å; A19-T22 PolarHBondContact O-N 2.78Å; T22-A26 HydrophobicContact CG2-CB 4.15Å; T22-N51 PolarHBondContact O-ND2 3.45Å | ||
| 23 | S | 56.3 | Low | 66 | Low | 93 Ų | 93 | 70.1 Ų | 70.1 | 65% | 0.65 | 42% | 0.423 | S | S | * | . | trans | -140.1 | 154.8 | -177.2 | -39.6 | 0 | 0 | 0 | 0 | 110.6 | S25 | S23-S25 PolarHBondContact O-N 3.45Š| ||
| 24 | G | 68.5 | Low | 66.1 | Low | 55 Ų | 55 | 63.9 Ų | 63.9 | 57% | 0.567 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | -130.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A26 L27 T28 | G24-A26 PolarHBondContact O-N 3.49Å; G24-L27 WeakPolarHBondContact O-CB 3.3Å; G24-L27 PolarHBondContact O-N 3.15Å; G24-T28 PolarHBondContact O-N 3.02Å; G24-T28 PolarHBondContact O-OG1 2.85Å |
| 25 | S | 58.7 | Low | 65.7 | Low | 106 Ų | 106 | 62.1 Ų | 62.1 | 74% | 0.741 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.6 | -33.3 | -176.5 | 176.9 | 0 | 0 | 0 | 0 | 113.9 | S23 L27 T28 A29 | S23-S25 PolarHBondContact O-N 3.45Å; S25-L27 VanDerWaalsContact C-N 3.31Å; S25-L27 PolarHBondContact O-N 3.1Å; S25-T28 WeakPolarHBondContact O-CB 3.35Å; S25-T28 PolarHBondContact O-N 3.28Å; S25-A29 PolarHBondContact O-N 3.15Å; S25-A29 VanDerWaalsContact O-N 3.12Å |
| 26 | A | 60.9 | Low | 65.4 | Low | 49 Ų | 49 | 66.9 Ų | 66.9 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.1 | -33.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T22 G24 L30 | T22-A26 HydrophobicContact CG2-CB 4.15Å; G24-A26 PolarHBondContact O-N 3.49Å; A26-L30 WeakPolarHBondContact O-CB 3.32Å; A26-L30 PolarHBondContact O-N 3.23Å |
| 27 | L | 64.2 | Low | 65.1 | Low | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.3 | -37.9 | 176.2 | -173.9 | 64.4 | 0 | 0 | 0 | 110.8 | A19 G24 S25 A29 L30 I31 | A19-L27 HydrophobicContact CB-CD1 4.25Å; G24-L27 WeakPolarHBondContact O-CB 3.3Å; G24-L27 PolarHBondContact O-N 3.15Å; S25-L27 VanDerWaalsContact C-N 3.31Å; S25-L27 PolarHBondContact O-N 3.1Å; L27-A29 PolarHBondContact O-N 3.38Å; L27-L30 HydrophobicContact CD1-CD2 4.31Å; L27-L30 WeakPolarHBondContact O-CB 3.46Å; L27-L30 PolarHBondContact O-N 2.89Å; L27-I31 HydrophobicContact CG-CD1 4.23Å; L27-I31 VanDerWaalsContact O-CG1 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.29Å; L27-I31 PolarHBondContact O-N 2.97Å |
| 28 | T | 61.1 | Low | 64 | Low | 95 Ų | 95 | 66.3 Ų | 66.3 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 175.3 | -39.3 | 0 | 0 | 0 | 0 | 111.6 | G24 S25 L30 I31 S32 | G24-T28 PolarHBondContact O-N 3.02Å; G24-T28 PolarHBondContact O-OG1 2.85Å; S25-T28 WeakPolarHBondContact O-CB 3.35Å; S25-T28 PolarHBondContact O-N 3.28Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 2.9Å; T28-I31 PolarHBondContact O-N 3.41Å; T28-S32 PolarHBondContact O-N 2.85Å; T28-S32 VanDerWaalsContact O-N 3.08Å |
| 29 | A | 69.4 | Low | 63.4 | Low | 59 Ų | 59 | 63.3 Ų | 63.3 | 49% | 0.488 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S25 L27 S32 Q33 | S25-A29 PolarHBondContact O-N 3.15Å; S25-A29 VanDerWaalsContact O-N 3.12Å; L27-A29 PolarHBondContact O-N 3.38Å; A29-S32 WeakPolarHBondContact O-CB 3.29Å; A29-S32 PolarHBondContact O-N 2.97Å; A29-Q33 PolarHBondContact O-N 3.36Å |
| 30 | L | 71.7 | Confident | 63 | Low | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.5 | -173.4 | 69.4 | 0 | 0 | 0 | 111.7 | F15 L18 A19 A26 L27 T28 S32 Q33 V34 | F15-L30 HydrophobicContact CD1-CD1 3.91Å; F15-L30 HydrophobicContact CE1-CD1 4.47Å; L18-L30 HydrophobicContact CB-CD1 3.72Å; L18-L30 HydrophobicContact CB-CD2 3.86Å; L18-L30 HydrophobicContact CB-CG 4.47Å; L18-L30 HydrophobicContact CD1-CD1 3.87Å; L18-L30 HydrophobicContact CG-CD1 4.42Å; A19-L30 HydrophobicContact CB-CD2 3.59Å; A19-L30 VanDerWaalsContact N-CD2 3.27Å; A26-L30 WeakPolarHBondContact O-CB 3.32Å; A26-L30 PolarHBondContact O-N 3.23Å; L27-L30 HydrophobicContact CD1-CD2 4.31Å; L27-L30 WeakPolarHBondContact O-CB 3.46Å; L27-L30 PolarHBondContact O-N 2.89Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 2.9Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 3.21Å; L30-Q33 PolarHBondContact O-N 3.18Å; L30-V34 VanDerWaalsContact O-CG2 3.25Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.15Å |
| 31 | I | 67.8 | Low | 62.5 | Low | 70 Ų | 70 | 67.3 Ų | 67.3 | 36% | 0.359 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 176.2 | -69.1 | 164.7 | 0 | 0 | 0 | 110.3 | L27 T28 Q33 V34 L35 L46 | L27-I31 HydrophobicContact CG-CD1 4.23Å; L27-I31 VanDerWaalsContact O-CG1 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.29Å; L27-I31 PolarHBondContact O-N 2.97Å; T28-I31 PolarHBondContact O-N 3.41Å; I31-Q33 VanDerWaalsContact C-N 3.27Å; I31-Q33 PolarHBondContact O-N 2.72Å; I31-V34 PolarHBondContact O-N 3.36Å; I31-L35 HydrophobicContact CG2-CD1 4.08Å; I31-L35 HydrophobicContact CG2-CG 4.49Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 2.98Å; I31-L46 HydrophobicContact CG1-CD2 4.26Å |
| 32 | S | 68.7 | Low | 62.1 | Low | 65 Ų | 65 | 69.7 Ų | 69.7 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 175.1 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | T28 A29 L30 L35 E36 | T28-S32 PolarHBondContact O-N 2.85Å; T28-S32 VanDerWaalsContact O-N 3.08Å; A29-S32 WeakPolarHBondContact O-CB 3.29Å; A29-S32 PolarHBondContact O-N 2.97Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 3.21Å; S32-L35 PolarHBondContact O-N 3.37Å; S32-E36 WeakPolarHBondContact O-CG 3.45Å; S32-E36 PolarHBondContact O-N 2.88Å |
| 33 | Q | 70.3 | Confident | 61.9 | Low | 122 Ų | 122 | 72 Ų | 72 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -74.2 | -30.6 | 179.9 | -166.3 | 159.6 | -11 | 0 | 0 | 113.1 | F15 A29 L30 I31 E36 A37 | F15-Q33 HydrophobicContact CE1-CG 4.28Å; A29-Q33 PolarHBondContact O-N 3.36Å; L30-Q33 PolarHBondContact O-N 3.18Å; I31-Q33 VanDerWaalsContact C-N 3.27Å; I31-Q33 PolarHBondContact O-N 2.72Å; Q33-E36 PolarHBondContact O-N 3.38Å; Q33-A37 PolarHBondContact O-N 3.05Å |
| 34 | V | 68.1 | Low | 61.8 | Low | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.012 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 172 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | F15 L30 I31 E36 A37 V40 F43 | F15-V34 HydrophobicContact CB-CG2 3.84Å; F15-V34 HydrophobicContact CD1-CG2 3.44Å; F15-V34 VanDerWaalsContact CD1-CG2 3.44Å; F15-V34 HydrophobicContact CD2-CG2 3.98Å; F15-V34 HydrophobicContact CE1-CG2 3.87Å; F15-V34 HydrophobicContact CE2-CG2 4.37Å; F15-V34 HydrophobicContact CG-CG2 3.51Å; F15-V34 HydrophobicContact CZ-CG2 4.32Å; L30-V34 VanDerWaalsContact O-CG2 3.25Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.15Å; I31-V34 PolarHBondContact O-N 3.36Å; V34-E36 VanDerWaalsContact C-N 3.27Å; V34-E36 PolarHBondContact O-N 3.32Å; V34-A37 WeakPolarHBondContact O-CB 3.4Å; V34-A37 PolarHBondContact O-N 2.96Å; V34-V40 HydrophobicContact CG1-CG1 3.97Å; V34-F43 HydrophobicContact CG1-CD1 4.26Å; V34-F43 HydrophobicContact CG1-CE1 3.81Å |
| 35 | L | 62.6 | Low | 61.2 | Low | 76 Ų | 76 | 72 Ų | 72 | 40% | 0.398 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.8 | -27.9 | 176.7 | -69.6 | 170.2 | 0 | 0 | 0 | 113 | I31 S32 F43 V129 | I31-L35 HydrophobicContact CG2-CD1 4.08Å; I31-L35 HydrophobicContact CG2-CG 4.49Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 2.98Å; S32-L35 PolarHBondContact O-N 3.37Å; L35-F43 HydrophobicContact CD2-CE1 3.89Å; L35-F43 HydrophobicContact CD2-CE2 4.47Å; L35-F43 HydrophobicContact CD2-CZ 3.62Å; L35-V129 HydrophobicContact CD1-CG1 4.3Å |
| 36 | E | 65.2 | Low | 60.9 | Low | 112 Ų | 112 | 68 Ų | 68 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -11.9 | 175.3 | -72.9 | -170.6 | 155.7 | 0 | 0 | 113.7 | S32 Q33 V34 P38 Q136 | S32-E36 WeakPolarHBondContact O-CG 3.45Å; S32-E36 PolarHBondContact O-N 2.88Å; Q33-E36 PolarHBondContact O-N 3.38Å; V34-E36 VanDerWaalsContact C-N 3.27Å; V34-E36 PolarHBondContact O-N 3.32Å; E36-P38 VanDerWaalsContact O-CD 3.24Å; E36-P38 WeakPolarHBondContact O-CD 3.49Å; E36-Q136 PolarHBondContact OE1-NE2 3.43Å |
| 37 | A | 61 | Low | 60.4 | Low | 19 Ų | 19 | 71.8 Ų | 71.8 | 16% | 0.157 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -79.1 | 114.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.4 | F15 Q33 V34 G39 V40 | F15-A37 HydrophobicContact CE2-CB 3.92Å; F15-A37 HydrophobicContact CZ-CB 4.1Å; Q33-A37 PolarHBondContact O-N 3.05Å; V34-A37 WeakPolarHBondContact O-CB 3.4Å; V34-A37 PolarHBondContact O-N 2.96Å; A37-G39 PolarHBondContact O-N 2.89Å; A37-G39 VanDerWaalsContact O-N 3.16Å; A37-V40 HydrophobicContact CB-CG2 4.45Å |
| 38 | P | 48.4 | Very low | 59.8 | Low | 119 Ų | 119 | 78.1 Ų | 78.1 | 77% | 0.773 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 117.9 | 177.5 | 25.5 | -31.4 | 0 | 0 | 0 | 110.3 | E36 | E36-P38 VanDerWaalsContact O-CD 3.24Å; E36-P38 WeakPolarHBondContact O-CD 3.49Å |
| 39 | G | 58 | Low | 59.2 | Low | 18 Ų | 18 | 74.4 Ų | 74.4 | 19% | 0.186 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 119.2 | -8.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | P7 A37 | P7-G39 WeakPolarHBondContact CB-O 3.44Å; A37-G39 PolarHBondContact O-N 2.89Å; A37-G39 VanDerWaalsContact O-N 3.16Å |
| 40 | V | 56.2 | Low | 58.1 | Low | 21 Ų | 21 | 74.5 Ų | 74.5 | 13% | 0.127 | 41% | 0.405 | C | S | . | . | trans | -103.2 | 102.5 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | L12 V34 A37 | L12-V40 HydrophobicContact CD1-CG1 4.1Å; V34-V40 HydrophobicContact CG1-CG1 3.97Å; A37-V40 HydrophobicContact CB-CG2 4.45Å | ||
| 41 | Y | 53.4 | Low | 56.9 | Low | 194 Ų | 194 | 77.2 Ų | 77.2 | 76% | 0.761 | 42% | 0.419 | S | S | * | . | trans | -116.3 | 0.7 | -176.5 | -59.3 | -76.9 | 0 | 0 | 0 | 113.6 | ||||
| 42 | V | 51.7 | Low | 55.9 | Low | 116 Ų | 116 | 77.8 Ų | 77.8 | 70% | 0.703 | 43% | 0.426 | S | S | * | . | trans | -131 | 120.7 | -177.6 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 43 | F | 58.3 | Low | 55.2 | Low | 81 Ų | 81 | 77.1 Ų | 77.1 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | trans | -109.4 | 5.6 | -172 | -57.6 | -88.1 | 0 | 0 | 0 | 113.4 | V34 L35 E45 L46 L47 | V34-F43 HydrophobicContact CG1-CD1 4.26Å; V34-F43 HydrophobicContact CG1-CE1 3.81Å; L35-F43 HydrophobicContact CD2-CE1 3.89Å; L35-F43 HydrophobicContact CD2-CE2 4.47Å; L35-F43 HydrophobicContact CD2-CZ 3.62Å; F43-E45 VanDerWaalsContact C-N 3.33Å; F43-E45 PolarHBondContact O-N 3.44Å; F43-L46 WeakPolarHBondContact O-CB 3.31Å; F43-L46 PolarHBondContact O-N 2.92Å; F43-L47 PolarHBondContact O-N 2.91Å; F43-L47 VanDerWaalsContact O-N 3.13Å | ||
| 44 | G | 53.3 | Low | 55 | Low | 40 Ų | 40 | 78.8 Ų | 78.8 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.2 | -44.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L46 L47 E48 | G44-L46 VanDerWaalsContact C-N 3.26Å; G44-L46 PolarHBondContact O-N 3.37Å; G44-L47 WeakPolarHBondContact O-CB 3.32Å; G44-L47 PolarHBondContact O-N 3.43Å; G44-L47 VanDerWaalsContact O-N 3.14Å; G44-E48 PolarHBondContact O-N 2.96Å; G44-E48 VanDerWaalsContact O-N 3.11Å |
| 45 | E | 56 | Low | 55.4 | Low | 110 Ų | 110 | 80.6 Ų | 80.6 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.1 | -23.2 | 178.7 | -62.2 | -179.3 | -172.5 | 0 | 0 | 113.5 | I16 F43 L49 | I16-E45 HydrophobicContact CD1-CB 4.14Å; I16-E45 WeakPolarHBondContact CD1-OE2 3.49Å; F43-E45 VanDerWaalsContact C-N 3.33Å; F43-E45 PolarHBondContact O-N 3.44Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å |
| 46 | L | 52.9 | Low | 56.3 | Low | 22 Ų | 22 | 79.7 Ų | 79.7 | 12% | 0.115 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -79 | -30.5 | 175.2 | -149.9 | 88.8 | 0 | 0 | 0 | 111.2 | A19 I31 F43 G44 L49 | A19-L46 HydrophobicContact CB-CD1 4.26Å; I31-L46 HydrophobicContact CG1-CD2 4.26Å; F43-L46 WeakPolarHBondContact O-CB 3.31Å; F43-L46 PolarHBondContact O-N 2.92Å; G44-L46 VanDerWaalsContact C-N 3.26Å; G44-L46 PolarHBondContact O-N 3.37Å; L46-L49 HydrophobicContact CD1-CD1 4.06Å; L46-L49 HydrophobicContact CG-CD1 4.08Å; L46-L49 WeakPolarHBondContact O-CB 3.38Å; L46-L49 WeakPolarHBondContact O-CG 3.41Å |
| 47 | L | 50.8 | Low | 57.4 | Low | 128 Ų | 128 | 76.7 Ų | 76.7 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -75 | -32.6 | 176.9 | -132.1 | 77.8 | 0 | 0 | 0 | 112 | F43 G44 L49 | F43-L47 PolarHBondContact O-N 2.91Å; F43-L47 VanDerWaalsContact O-N 3.13Å; G44-L47 WeakPolarHBondContact O-CB 3.32Å; G44-L47 PolarHBondContact O-N 3.43Å; G44-L47 VanDerWaalsContact O-N 3.14Å; L47-L49 PolarHBondContact O-N 3.46Å |
| 48 | E | 50.2 | Low | 58.6 | Low | 159 Ų | 159 | 75.9 Ų | 75.9 | 74% | 0.743 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -0.7 | 174.1 | -75.3 | 179.9 | 168.2 | 0 | 0 | 113.7 | G44 A50 | G44-E48 PolarHBondContact O-N 2.96Å; G44-E48 VanDerWaalsContact O-N 3.11Å; E48-A50 PolarHBondContact O-N 3.32Å |
| 49 | L | 50.3 | Low | 60.4 | Low | 16 Ų | 16 | 74.1 Ų | 74.1 | 8% | 0.084 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -74.5 | 129 | 176.8 | -61.9 | 175.7 | 0 | 0 | 0 | 110.3 | I16 A19 K20 E45 L46 L47 N51 V52 Q53 | I16-L49 HydrophobicContact CG2-CD2 4.11Å; A19-L49 HydrophobicContact CB-CD1 3.27Å; K20-L49 HydrophobicContact CG-CD2 4.12Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; L46-L49 HydrophobicContact CD1-CD1 4.06Å; L46-L49 HydrophobicContact CG-CD1 4.08Å; L46-L49 WeakPolarHBondContact O-CB 3.38Å; L46-L49 WeakPolarHBondContact O-CG 3.41Å; L47-L49 PolarHBondContact O-N 3.46Å; L49-N51 PolarHBondContact O-N 2.86Å; L49-V52 PolarHBondContact O-N 3.29Å; L49-Q53 PolarHBondContact O-N 2.9Å |
| 50 | A | 45.5 | Very low | 61.7 | Low | 62 Ų | 62 | 76.2 Ų | 76.2 | 51% | 0.512 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -9.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E48 V52 Q53 | E48-A50 PolarHBondContact O-N 3.32Å; A50-V52 VanDerWaalsContact C-N 3.31Å; A50-Q53 VanDerWaalsContact O-O 3.06Å |
| 51 | N | 47.2 | Very low | 63.1 | Low | 69 Ų | 69 | 76.6 Ų | 76.6 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.2 | 176.8 | -60.1 | 8.9 | 0 | 0 | 0 | 112.1 | A19 K20 T22 L49 | A19-N51 PolarHBondContact O-ND2 2.8Å; K20-N51 VanDerWaalsContact C-ND2 3.33Å; K20-N51 WeakPolarHBondContact CA-ND2 3.43Å; K20-N51 PolarHBondContact O-ND2 2.95Å; K20-N51 VanDerWaalsContact O-ND2 3.11Å; T22-N51 PolarHBondContact O-ND2 3.45Å; L49-N51 PolarHBondContact O-N 2.86Å |
| 52 | V | 46.8 | Very low | 64.6 | Low | 82 Ų | 82 | 69.6 Ų | 69.6 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -26.2 | 173.8 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | L49 A50 | L49-V52 PolarHBondContact O-N 3.29Å; A50-V52 VanDerWaalsContact C-N 3.31Å |
| 53 | Q | 53.9 | Low | 66.2 | Low | 51 Ų | 51 | 71.9 Ų | 71.9 | 24% | 0.238 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -85 | 129.5 | 178.5 | -152.7 | 174 | 31.2 | 0 | 0 | 110.7 | L49 A50 C55 D100 | L49-Q53 PolarHBondContact O-N 2.9Å; A50-Q53 VanDerWaalsContact O-O 3.06Å; Q53-C55 PolarHBondContact O-N 3.46Å; Q53-C55 VanDerWaalsContact O-N 3.13Å; Q53-D100 PolarHBondContact NE2-OD1 3.29Å |
| 54 | E | 64.7 | Low | 67.4 | Low | 157 Ų | 157 | 73.7 Ų | 73.7 | 73% | 0.734 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 98.6 | 172.8 | -72.7 | -160.8 | 143.9 | 0 | 0 | 109.6 | V99 | E54-V99 PolarHBondContact O-N 3.46Å |
| 55 | C | 77.1 | Confident | 68.8 | Low | 40 Ų | 40 | 75.8 Ų | 75.8 | 27% | 0.27 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.3 | 174 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | Q53 L96 L97 | Q53-C55 PolarHBondContact O-N 3.46Å; Q53-C55 VanDerWaalsContact O-N 3.13Å; C55-L96 HydrophobicContact CB-CD1 4.4Å; C55-L97 WeakPolarHBondContact CA-O 2.85Å |
| 56 | I | 81.5 | Confident | 70.2 | Confident | 58 Ų | 58 | 78.9 Ų | 78.9 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.5 | 178.6 | -52.9 | 178.1 | 0 | 0 | 0 | 109.6 | L61 L97 V99 | I56-L61 HydrophobicContact CG2-CD1 4.19Å; I56-L61 HydrophobicContact CG2-CD2 3.92Å; I56-L61 HydrophobicContact CG2-CG 3.8Å; I56-L97 PolarHBondContact N-O 3.48Å; I56-L97 PolarHBondContact O-N 2.9Å; I56-V99 HydrophobicContact CD1-CG2 4.07Å; I56-V99 HydrophobicContact CG1-CG2 4.5Å |
| 57 | P | 87.3 | Confident | 71.6 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 32% | 0.318 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.2 | 175.9 | -19.1 | 31.8 | 0 | 0 | 0 | 112.7 | S59 V60 L61 L96 | P57-S59 PolarHBondContact O-N 2.89Å; P57-V60 HydrophobicContact CB-CG2 4.32Å; P57-V60 HydrophobicContact CG-CG2 4.34Å; P57-V60 WeakPolarHBondContact O-CB 3.41Å; P57-V60 PolarHBondContact O-N 3.31Å; P57-L61 PolarHBondContact O-N 2.96Å; P57-L96 HydrophobicContact CB-CD2 4.01Å; P57-L96 HydrophobicContact CG-CD2 4.01Å |
| 58 | Y | 88.1 | Confident | 73.1 | Confident | 1 Ų | 1 | 85.4 Ų | 85.4 | 0% | 0.004 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.4 | -30.6 | 176.8 | -73.9 | 15.1 | 0 | 0 | 0 | 112.2 | V60 L61 L62 L70 L73 E74 I77 L90 Q95 L96 L97 | Y58-V60 VanDerWaalsContact C-N 3.25Å; Y58-V60 PolarHBondContact O-N 2.85Å; Y58-L61 PolarHBondContact O-N 3.27Å; Y58-L62 WeakPolarHBondContact O-CB 3.41Å; Y58-L62 VanDerWaalsContact O-CG 3.25Å; Y58-L62 WeakPolarHBondContact O-CG 3.27Å; Y58-L62 PolarHBondContact O-N 3.5Å; Y58-L70 HydrophobicContact CD2-CD1 3.91Å; Y58-L70 HydrophobicContact CD2-CG 4.2Å; Y58-L70 HydrophobicContact CE2-CD1 4.32Å; Y58-L70 HydrophobicContact CE2-CG 4.39Å; Y58-L73 HydrophobicContact CD1-CD2 4.43Å; Y58-L73 HydrophobicContact CD2-CD2 4.09Å; Y58-L73 HydrophobicContact CG-CD2 3.88Å; Y58-E74 HydrophobicContact CE2-CG 4.14Å; Y58-I77 HydrophobicContact CE1-CD1 4.47Å; Y58-L90 HydrophobicContact CE1-CD1 4.02Å; Y58-L90 WeakPolarHBondContact OH-CD1 3.45Å; Y58-L90 WeakPolarHBondContact OH-CG 3.48Å; Y58-Q95 VanDerWaalsContact CD1-C 3.44Å; Y58-Q95 VanDerWaalsContact CD1-O 3.25Å; Y58-Q95 WeakPolarHBondContact CD1-O 3.45Å; Y58-Q95 HydrophobicContact CD2-CB 3.99Å; Y58-Q95 HydrophobicContact CD2-CG 4.49Å; Y58-Q95 HydrophobicContact CE2-CB 4.5Å; Y58-Q95 HydrophobicContact CG-CB 4.05Å; Y58-Q95 PolarHBondContact N-O 3.1Å; Y58-L96 VanDerWaalsContact CE1-C 3.47Å; Y58-L97 HydrophobicContact CE1-CB 4.37Å |
| 59 | S | 84.9 | Confident | 74.7 | Confident | 82 Ų | 82 | 82 Ų | 82 | 57% | 0.573 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.7 | -34.4 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 113 | P57 K63 | P57-S59 PolarHBondContact O-N 2.89Å; S59-K63 WeakPolarHBondContact O-CB 3.31Å; S59-K63 PolarHBondContact O-N 3.42Å |
| 60 | V | 86.3 | Confident | 76.5 | Confident | 62 Ų | 62 | 84.1 Ų | 84.1 | 38% | 0.376 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.8 | -48.3 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | P57 Y58 L62 K63 D64 | P57-V60 HydrophobicContact CB-CG2 4.32Å; P57-V60 HydrophobicContact CG-CG2 4.34Å; P57-V60 WeakPolarHBondContact O-CB 3.41Å; P57-V60 PolarHBondContact O-N 3.31Å; Y58-V60 VanDerWaalsContact C-N 3.25Å; Y58-V60 PolarHBondContact O-N 2.85Å; V60-L62 PolarHBondContact O-N 3.46Å; V60-K63 PolarHBondContact O-N 3.28Å; V60-D64 WeakPolarHBondContact O-CB 3.37Å; V60-D64 PolarHBondContact O-N 3.46Å |
| 61 | L | 84.8 | Confident | 78.6 | Confident | 30 Ų | 30 | 88.9 Ų | 88.9 | 16% | 0.157 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 179.2 | -64.8 | 174 | 0 | 0 | 0 | 112.6 | I56 P57 Y58 K63 D64 L65 L73 I77 L97 | I56-L61 HydrophobicContact CG2-CD1 4.19Å; I56-L61 HydrophobicContact CG2-CD2 3.92Å; I56-L61 HydrophobicContact CG2-CG 3.8Å; P57-L61 PolarHBondContact O-N 2.96Å; Y58-L61 PolarHBondContact O-N 3.27Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 3.2Å; L61-D64 PolarHBondContact O-N 2.95Å; L61-L65 HydrophobicContact CB-CD1 4.47Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 3.44Å; L61-L73 HydrophobicContact CB-CD1 3.77Å; L61-L73 HydrophobicContact CB-CD2 4.02Å; L61-L73 HydrophobicContact CD1-CD1 4.29Å; L61-I77 HydrophobicContact CD1-CD1 4.06Å; L61-L97 HydrophobicContact CD1-CB 4.43Å; L61-L97 HydrophobicContact CD1-CD2 4.24Å |
| 62 | L | 85.7 | Confident | 80.6 | Confident | 46 Ų | 46 | 90.2 Ų | 90.2 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.9 | -74.5 | 173.7 | 0 | 0 | 0 | 111.5 | Y58 V60 E66 M67 L73 | Y58-L62 WeakPolarHBondContact O-CB 3.41Å; Y58-L62 VanDerWaalsContact O-CG 3.25Å; Y58-L62 WeakPolarHBondContact O-CG 3.27Å; Y58-L62 PolarHBondContact O-N 3.5Å; V60-L62 PolarHBondContact O-N 3.46Å; L62-E66 CarbonylContact O-C 3.55Å; L62-E66 WeakPolarHBondContact O-CA 3.43Å; L62-E66 PolarHBondContact O-N 2.91Å; L62-E66 VanDerWaalsContact O-N 3.14Å; L62-M67 HydrophobicContact CD2-CB 3.78Å; L62-M67 PolarHBondContact O-N 2.92Å; L62-L73 HydrophobicContact CD2-CB 3.96Å; L62-L73 HydrophobicContact CD2-CD2 3.84Å; L62-L73 HydrophobicContact CD2-CG 4.46Å; L62-L73 HydrophobicContact CG-CD2 3.82Å |
| 63 | K | 84.7 | Confident | 82.7 | Confident | 165 Ų | 165 | 86.4 Ų | 86.4 | 72% | 0.717 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -72.1 | -47.5 | 179.9 | -174.4 | -174.7 | 175.9 | -169.9 | 0 | 111.7 | S59 V60 L61 E66 | S59-K63 WeakPolarHBondContact O-CB 3.31Å; S59-K63 PolarHBondContact O-N 3.42Å; V60-K63 PolarHBondContact O-N 3.28Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 3.2Å; K63-E66 PolarHBondContact O-N 3.41Å |
| 64 | D | 83.1 | Confident | 84.4 | Confident | 119 Ų | 119 | 84.4 Ų | 84.4 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -75.7 | -29.2 | -173.1 | -70.8 | -4.8 | 0 | 0 | 0 | 112.4 | V60 L61 | V60-D64 WeakPolarHBondContact O-CB 3.37Å; V60-D64 PolarHBondContact O-N 3.46Å; L61-D64 PolarHBondContact O-N 2.95Å |
| 65 | L | 83.8 | Confident | 85.7 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 44% | 0.44 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.7 | 174 | -58.5 | 171.9 | 0 | 0 | 0 | 113 | L61 M67 L73 L76 | L61-L65 HydrophobicContact CB-CD1 4.47Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 3.44Å; L65-M67 HydrophobicContact CB-CE 4.43Å; L65-M67 HydrophobicContact CB-CG 3.84Å; L65-M67 PolarHBondContact O-N 3.35Å; L65-L73 HydrophobicContact CD1-CD1 4.12Å; L65-L76 HydrophobicContact CD1-CD2 4.23Å |
| 66 | E | 84.6 | Confident | 86.3 | Confident | 174 Ų | 174 | 81.4 Ų | 81.4 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 37.4 | -176.9 | -61.7 | -174.7 | 168.1 | 0 | 0 | 113.9 | L62 K63 | L62-E66 CarbonylContact O-C 3.55Å; L62-E66 WeakPolarHBondContact O-CA 3.43Å; L62-E66 PolarHBondContact O-N 2.91Å; L62-E66 VanDerWaalsContact O-N 3.14Å; K63-E66 PolarHBondContact O-N 3.41Å |
| 67 | M | 83 | Confident | 86.6 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | trans | -84.6 | 137.9 | -179.2 | -67.2 | -64.6 | 179.5 | 0 | 0 | 111 | L62 L65 L76 | L62-M67 HydrophobicContact CD2-CB 3.78Å; L62-M67 PolarHBondContact O-N 2.92Å; L65-M67 HydrophobicContact CB-CE 4.43Å; L65-M67 HydrophobicContact CB-CG 3.84Å; L65-M67 PolarHBondContact O-N 3.35Å; M67-L76 HydrophobicContact CE-CD2 3.98Å | ||
| 68 | R | 81.4 | Confident | 86.8 | Confident | 229 Ų | 229 | 81.4 Ų | 81.4 | 86% | 0.864 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -91 | -23.8 | -175.7 | -56.6 | -176.8 | -147.6 | 160.8 | 9.3 | 112.9 | ||
| 69 | N | 85 | Confident | 86.9 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | trans | -131.9 | 136.5 | -168.7 | -68 | 33.4 | 0 | 0 | 0 | 110.7 | R71 E72 L73 | N69-R71 PolarHBondContact O-N 3.3Å; N69-E72 HydrophobicContact CB-CG 4.24Å; N69-E72 PolarHBondContact O-N 2.91Å; N69-L73 PolarHBondContact O-N 3.44Å | ||
| 70 | L | 86.9 | Confident | 87 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 31% | 0.314 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.4 | -33.4 | 176.5 | -176 | 141.2 | 0 | 0 | 0 | 112.1 | Y58 L73 E74 | Y58-L70 HydrophobicContact CD2-CD1 3.91Å; Y58-L70 HydrophobicContact CD2-CG 4.2Å; Y58-L70 HydrophobicContact CE2-CD1 4.32Å; Y58-L70 HydrophobicContact CE2-CG 4.39Å; L70-L73 PolarHBondContact O-N 3.48Å; L70-E74 VanDerWaalsContact CD2-CD 3.44Å; L70-E74 HydrophobicContact CD2-CG 4.17Å; L70-E74 VanDerWaalsContact CD2-OE1 3.26Å; L70-E74 WeakPolarHBondContact CD2-OE1 3.37Å; L70-E74 WeakPolarHBondContact O-CG 3.35Å; L70-E74 PolarHBondContact O-N 2.87Å |
| 71 | R | 89.3 | Confident | 87.1 | Confident | 161 Ų | 161 | 83.6 Ų | 83.6 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 178.2 | -177.3 | 64.2 | -166.4 | -156.9 | 10.4 | 113 | N69 L73 E74 D75 | N69-R71 PolarHBondContact O-N 3.3Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.36Å; R71-E74 PolarHBondContact O-N 2.84Å; R71-D75 IonicContact CZ-OD1 3.45Å; R71-D75 IonicContact CZ-OD2 3.96Å; R71-D75 IonicContact NE-OD1 3.17Å; R71-D75 PolarHBondContact NE-OD1 2.93Å; R71-D75 IonicContact NE-OD2 3.06Å; R71-D75 PolarHBondContact NE-OD2 3.39Å; R71-D75 IonicContact NH2-OD1 3.03Å; R71-D75 PolarHBondContact NH2-OD1 3.39Å; R71-D75 IonicContact NH2-OD2 3.91Å; R71-D75 WeakPolarHBondContact O-CB 3.43Å; R71-D75 VanDerWaalsContact O-CG 3.31Å; R71-D75 PolarHBondContact O-N 2.9Å |
| 72 | E | 90.2 | Very high | 87.3 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 46% | 0.458 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 179.2 | -67.6 | 174 | -170.2 | 0 | 0 | 111 | N69 L76 | N69-E72 HydrophobicContact CB-CG 4.24Å; N69-E72 PolarHBondContact O-N 2.91Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 PolarHBondContact O-N 3.27Å; E72-L76 VanDerWaalsContact O-N 3.07Å |
| 73 | L | 89.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 93.1 Ų | 93.1 | 1% | 0.005 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | 173 | 175 | 63.9 | 0 | 0 | 0 | 111.5 | Y58 L61 L62 L65 N69 L70 R71 L76 I77 | Y58-L73 HydrophobicContact CD1-CD2 4.43Å; Y58-L73 HydrophobicContact CD2-CD2 4.09Å; Y58-L73 HydrophobicContact CG-CD2 3.88Å; L61-L73 HydrophobicContact CB-CD1 3.77Å; L61-L73 HydrophobicContact CB-CD2 4.02Å; L61-L73 HydrophobicContact CD1-CD1 4.29Å; L62-L73 HydrophobicContact CD2-CB 3.96Å; L62-L73 HydrophobicContact CD2-CD2 3.84Å; L62-L73 HydrophobicContact CD2-CG 4.46Å; L62-L73 HydrophobicContact CG-CD2 3.82Å; L65-L73 HydrophobicContact CD1-CD1 4.12Å; N69-L73 PolarHBondContact O-N 3.44Å; L70-L73 PolarHBondContact O-N 3.48Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.36Å; L73-L76 PolarHBondContact O-N 2.95Å; L73-I77 HydrophobicContact CD1-CD1 3.87Å; L73-I77 HydrophobicContact CD1-CG1 4.18Å; L73-I77 HydrophobicContact CD2-CD1 4.43Å; L73-I77 HydrophobicContact CG-CD1 3.78Å; L73-I77 HydrophobicContact CG-CG1 4.47Å; L73-I77 VanDerWaalsContact O-CG1 3.27Å; L73-I77 WeakPolarHBondContact O-CG1 3.48Å; L73-I77 PolarHBondContact O-N 3.47Å |
| 74 | E | 90.8 | Very high | 87.5 | Confident | 10 Ų | 10 | 90.3 Ų | 90.3 | 5% | 0.047 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | -179.8 | -72.4 | 179.6 | 163.5 | 0 | 0 | 112.2 | Y58 L70 R71 L76 I77 I78 L90 Q92 | Y58-E74 HydrophobicContact CE2-CG 4.14Å; L70-E74 VanDerWaalsContact CD2-CD 3.44Å; L70-E74 HydrophobicContact CD2-CG 4.17Å; L70-E74 VanDerWaalsContact CD2-OE1 3.26Å; L70-E74 WeakPolarHBondContact CD2-OE1 3.37Å; L70-E74 WeakPolarHBondContact O-CG 3.35Å; L70-E74 PolarHBondContact O-N 2.87Å; R71-E74 PolarHBondContact O-N 2.84Å; E74-L76 VanDerWaalsContact C-N 3.27Å; E74-L76 PolarHBondContact O-N 3.34Å; E74-I77 PolarHBondContact O-N 3.44Å; E74-I78 WeakPolarHBondContact O-CB 3.31Å; E74-I78 WeakPolarHBondContact O-CD1 3.47Å; E74-I78 WeakPolarHBondContact O-CG1 3.34Å; E74-I78 PolarHBondContact O-N 2.96Å; E74-L90 HydrophobicContact CB-CD2 4.5Å; E74-L90 HydrophobicContact CG-CD2 4.18Å; E74-Q92 VanDerWaalsContact OE1-CD 3.25Å; E74-Q92 WeakPolarHBondContact OE1-CG 3.32Å; E74-Q92 PolarHBondContact OE1-NE2 3.19Å; E74-Q92 PolarHBondContact OE2-NE2 3.4Å |
| 75 | D | 92.3 | Very high | 87.6 | Confident | 67 Ų | 67 | 87.8 Ų | 87.8 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 177.3 | -69.2 | -32 | 0 | 0 | 0 | 110.6 | R71 I78 E79 | R71-D75 IonicContact CZ-OD1 3.45Å; R71-D75 IonicContact CZ-OD2 3.96Å; R71-D75 IonicContact NE-OD1 3.17Å; R71-D75 PolarHBondContact NE-OD1 2.93Å; R71-D75 IonicContact NE-OD2 3.06Å; R71-D75 PolarHBondContact NE-OD2 3.39Å; R71-D75 IonicContact NH2-OD1 3.03Å; R71-D75 PolarHBondContact NH2-OD1 3.39Å; R71-D75 IonicContact NH2-OD2 3.91Å; R71-D75 WeakPolarHBondContact O-CB 3.43Å; R71-D75 VanDerWaalsContact O-CG 3.31Å; R71-D75 PolarHBondContact O-N 2.9Å; D75-I78 PolarHBondContact O-N 3.11Å; D75-E79 PolarHBondContact O-N 2.89Å |
| 76 | L | 89.3 | Confident | 87.6 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 174.5 | -176.7 | 67.3 | 0 | 0 | 0 | 113 | L65 M67 E72 L73 E74 I78 E79 A80 | L65-L76 HydrophobicContact CD1-CD2 4.23Å; M67-L76 HydrophobicContact CE-CD2 3.98Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 PolarHBondContact O-N 3.27Å; E72-L76 VanDerWaalsContact O-N 3.07Å; L73-L76 PolarHBondContact O-N 2.95Å; E74-L76 VanDerWaalsContact C-N 3.27Å; E74-L76 PolarHBondContact O-N 3.34Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-E79 PolarHBondContact O-N 2.94Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 2.89Å |
| 77 | I | 88.2 | Confident | 87.5 | Confident | 12 Ų | 12 | 81.9 Ų | 81.9 | 6% | 0.062 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.8 | -67.6 | 165 | 0 | 0 | 0 | 109.8 | Y58 L61 L73 E74 E79 A80 V81 L90 L97 | Y58-I77 HydrophobicContact CE1-CD1 4.47Å; L61-I77 HydrophobicContact CD1-CD1 4.06Å; L73-I77 HydrophobicContact CD1-CD1 3.87Å; L73-I77 HydrophobicContact CD1-CG1 4.18Å; L73-I77 HydrophobicContact CD2-CD1 4.43Å; L73-I77 HydrophobicContact CG-CD1 3.78Å; L73-I77 HydrophobicContact CG-CG1 4.47Å; L73-I77 VanDerWaalsContact O-CG1 3.27Å; L73-I77 WeakPolarHBondContact O-CG1 3.48Å; L73-I77 PolarHBondContact O-N 3.47Å; E74-I77 PolarHBondContact O-N 3.44Å; I77-E79 VanDerWaalsContact C-N 3.29Å; I77-E79 PolarHBondContact O-N 3.3Å; I77-A80 PolarHBondContact O-N 3.04Å; I77-V81 HydrophobicContact CG2-CG2 4.41Å; I77-V81 WeakPolarHBondContact O-CG2 3.45Å; I77-V81 PolarHBondContact O-N 3.3Å; I77-L90 HydrophobicContact CB-CD1 4.41Å; I77-L90 HydrophobicContact CD1-CD1 4.02Å; I77-L90 HydrophobicContact CG2-CD1 3.89Å; I77-L97 HydrophobicContact CD1-CD2 4.32Å; I77-L97 HydrophobicContact CG1-CD2 4.38Å; I77-L97 HydrophobicContact CG2-CD1 3.75Å; I77-L97 HydrophobicContact CG2-CD2 4.12Å |
| 78 | I | 91.1 | Very high | 87.6 | Confident | 94 Ų | 94 | 80.3 Ų | 80.3 | 48% | 0.482 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 176.3 | -68.6 | 163 | 0 | 0 | 0 | 110.4 | E74 D75 L76 V81 Y82 | E74-I78 WeakPolarHBondContact O-CB 3.31Å; E74-I78 WeakPolarHBondContact O-CD1 3.47Å; E74-I78 WeakPolarHBondContact O-CG1 3.34Å; E74-I78 PolarHBondContact O-N 2.96Å; D75-I78 PolarHBondContact O-N 3.11Å; L76-I78 VanDerWaalsContact C-N 3.33Å; I78-V81 PolarHBondContact O-N 3.41Å; I78-Y82 VanDerWaalsContact O-CB 3.3Å; I78-Y82 WeakPolarHBondContact O-CB 3.48Å; I78-Y82 PolarHBondContact O-N 3.18Å |
| 79 | E | 90.9 | Very high | 87.7 | Confident | 121 Ų | 121 | 75.9 Ų | 75.9 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 175.6 | -171.1 | 175.8 | -175.1 | 0 | 0 | 112.2 | D75 L76 I77 V81 Y82 T83 | D75-E79 PolarHBondContact O-N 2.89Å; L76-E79 PolarHBondContact O-N 2.94Å; I77-E79 VanDerWaalsContact C-N 3.29Å; I77-E79 PolarHBondContact O-N 3.3Å; E79-V81 VanDerWaalsContact C-N 3.3Å; E79-V81 PolarHBondContact O-N 2.88Å; E79-Y82 PolarHBondContact O-N 3.38Å; E79-T83 WeakPolarHBondContact O-CB 3.27Å; E79-T83 WeakPolarHBondContact O-CG2 3.39Å; E79-T83 PolarHBondContact O-N 2.86Å; E79-T83 PolarHBondContact O-OG1 3.27Å |
| 80 | A | 86.8 | Confident | 87.9 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L76 I77 T83 I85 I86 | L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 2.89Å; I77-A80 PolarHBondContact O-N 3.04Å; A80-T83 WeakPolarHBondContact CA-OG1 3.45Å; A80-T83 PolarHBondContact O-OG1 2.94Å; A80-I85 WeakPolarHBondContact O-CB 3.31Å; A80-I85 PolarHBondContact O-N 3.2Å; A80-I86 HydrophobicContact CB-CD1 4.03Å; A80-I86 HydrophobicContact CB-CG1 4.3Å; A80-I86 PolarHBondContact O-N 3.44Å |
| 81 | V | 87.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 73.1 Ų | 73.1 | 32% | 0.315 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.3 | -42.6 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | I77 I78 E79 T83 D84 I86 | I77-V81 HydrophobicContact CG2-CG2 4.41Å; I77-V81 WeakPolarHBondContact O-CG2 3.45Å; I77-V81 PolarHBondContact O-N 3.3Å; I78-V81 PolarHBondContact O-N 3.41Å; E79-V81 VanDerWaalsContact C-N 3.3Å; E79-V81 PolarHBondContact O-N 2.88Å; V81-T83 PolarHBondContact O-N 2.85Å; V81-D84 PolarHBondContact O-N 2.91Å; V81-I86 WeakPolarHBondContact CA-O 3.28Å |
| 82 | Y | 89.6 | Confident | 87.7 | Confident | 202 Ų | 202 | 70.9 Ų | 70.9 | 79% | 0.792 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.9 | -27.8 | 178.9 | -172.1 | -99 | 0 | 0 | 0 | 113.2 | I78 E79 D84 | I78-Y82 VanDerWaalsContact O-CB 3.3Å; I78-Y82 WeakPolarHBondContact O-CB 3.48Å; I78-Y82 PolarHBondContact O-N 3.18Å; E79-Y82 PolarHBondContact O-N 3.38Å; Y82-D84 VanDerWaalsContact C-N 3.29Å |
| 83 | T | 88.8 | Confident | 87.5 | Confident | 73 Ų | 73 | 77 Ų | 77 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.3 | 176.1 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | E79 A80 V81 I85 | E79-T83 WeakPolarHBondContact O-CB 3.27Å; E79-T83 WeakPolarHBondContact O-CG2 3.39Å; E79-T83 PolarHBondContact O-N 2.86Å; E79-T83 PolarHBondContact O-OG1 3.27Å; A80-T83 WeakPolarHBondContact CA-OG1 3.45Å; A80-T83 PolarHBondContact O-OG1 2.94Å; V81-T83 PolarHBondContact O-N 2.85Å; T83-I85 PolarHBondContact O-N 3.42Å; T83-I85 VanDerWaalsContact O-N 3.11Å; T83-I85 WeakPolarHBondContact OG1-CD1 3.45Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.35Å |
| 84 | D | 85.6 | Confident | 87.2 | Confident | 106 Ų | 106 | 81.6 Ų | 81.6 | 57% | 0.567 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 20.9 | -177.5 | -67.7 | -51 | 0 | 0 | 0 | 114.1 | V81 Y82 | V81-D84 PolarHBondContact O-N 2.91Å; Y82-D84 VanDerWaalsContact C-N 3.29Å |
| 85 | I | 84.4 | Confident | 87 | Confident | 67 Ų | 67 | 86.2 Ų | 86.2 | 34% | 0.344 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -71.5 | -39 | 175.2 | -62.1 | 178.6 | 0 | 0 | 0 | 109.6 | A80 T83 C102 I103 | A80-I85 WeakPolarHBondContact O-CB 3.31Å; A80-I85 PolarHBondContact O-N 3.2Å; T83-I85 PolarHBondContact O-N 3.42Å; T83-I85 VanDerWaalsContact O-N 3.11Å; T83-I85 WeakPolarHBondContact OG1-CD1 3.45Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.35Å; I85-C102 WeakPolarHBondContact O-CA 3.39Å; I85-I103 HydrophobicContact CB-CD1 4.06Å; I85-I103 HydrophobicContact CB-CG1 4.2Å; I85-I103 HydrophobicContact CG1-CD1 3.84Å; I85-I103 HydrophobicContact CG2-CD1 3.91Å; I85-I103 HydrophobicContact CG2-CG1 3.71Å; I85-I103 PolarHBondContact O-N 3.38Å |
| 86 | I | 84.1 | Confident | 86.8 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 20% | 0.2 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.8 | -179.8 | -53.7 | 177.4 | 0 | 0 | 0 | 107.7 | A80 V81 V99 C102 | A80-I86 HydrophobicContact CB-CD1 4.03Å; A80-I86 HydrophobicContact CB-CG1 4.3Å; A80-I86 PolarHBondContact O-N 3.44Å; V81-I86 WeakPolarHBondContact CA-O 3.28Å; I86-V99 HydrophobicContact CG2-CG1 3.94Å; I86-V99 HydrophobicContact CG2-CG2 4.17Å; I86-C102 HydrophobicContact CG1-CB 4.48Å |
| 87 | Q | 83.9 | Confident | 86.6 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.3 | 166.2 | -60.8 | -174.6 | -28.4 | 0 | 0 | 107.9 | D100 F101 | Q87-D100 PolarHBondContact O-N 3.37Å; Q87-F101 HydrophobicContact CB-CB 4.15Å; Q87-F101 HydrophobicContact CG-CD1 4.32Å; Q87-F101 PolarHBondContact N-O 2.94Å; Q87-F101 PolarHBondContact O-N 3.03Å |
| 88 | G | 84.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 83.6 Ų | 83.6 | 27% | 0.268 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E98 | G88-E98 CarbonylContact C-O 3.34Å; G88-E98 WeakPolarHBondContact CA-O 3.39Å |
| 89 | K | 84.1 | Confident | 86.1 | Confident | 135 Ų | 135 | 80.3 Ų | 80.3 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.7 | -176.5 | -167.7 | 178.4 | 177.7 | -172.2 | 0 | 111.1 | E98 | K89-E98 HydrophobicContact CB-CB 4.21Å; K89-E98 PolarHBondContact N-O 2.8Å; K89-E98 PolarHBondContact O-N 3.3Å |
| 90 | L | 87.5 | Confident | 85.4 | Confident | 57 Ų | 57 | 79.7 Ų | 79.7 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 111.7 | 175.2 | -165.1 | 75.4 | 0 | 0 | 0 | 109.4 | Y58 E74 I77 L97 | Y58-L90 HydrophobicContact CE1-CD1 4.02Å; Y58-L90 WeakPolarHBondContact OH-CD1 3.45Å; Y58-L90 WeakPolarHBondContact OH-CG 3.48Å; E74-L90 HydrophobicContact CB-CD2 4.5Å; E74-L90 HydrophobicContact CG-CD2 4.18Å; I77-L90 HydrophobicContact CB-CD1 4.41Å; I77-L90 HydrophobicContact CD1-CD1 4.02Å; I77-L90 HydrophobicContact CG2-CD1 3.89Å; L90-L97 HydrophobicContact CD1-CD1 4.25Å |
| 91 | D | 86.4 | Confident | 84.9 | Confident | 34 Ų | 34 | 84.1 Ų | 84.1 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 89.4 | 170 | -172.4 | -11.7 | 0 | 0 | 0 | 110.3 | R93 N94 Q95 L96 | D91-R93 VanDerWaalsContact C-N 3.26Å; D91-R93 PolarHBondContact O-N 2.87Å; D91-R93 WeakPolarHBondContact OD1-CB 3.24Å; D91-R93 PolarHBondContact OD1-N 3.46Å; D91-N94 PolarHBondContact O-N 3.05Å; D91-N94 PolarHBondContact OD1-N 2.89Å; D91-N94 WeakPolarHBondContact OD2-CB 3.09Å; D91-N94 VanDerWaalsContact OD2-CG 3.27Å; D91-N94 PolarHBondContact OD2-ND2 2.92Å; D91-Q95 WeakPolarHBondContact O-CA 3.37Å; D91-Q95 PolarHBondContact O-N 3.28Å; D91-L96 WeakPolarHBondContact CA-O 3.29Å; D91-L96 PolarHBondContact N-O 3.35Å; D91-L96 PolarHBondContact O-N 3.47Å |
| 92 | Q | 86.2 | Confident | 84.5 | Confident | 114 Ų | 114 | 85 Ų | 85 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.8 | 178.3 | -169.7 | 165.1 | 37.2 | 0 | 0 | 113.2 | E74 | E74-Q92 VanDerWaalsContact OE1-CD 3.25Å; E74-Q92 WeakPolarHBondContact OE1-CG 3.32Å; E74-Q92 PolarHBondContact OE1-NE2 3.19Å; E74-Q92 PolarHBondContact OE2-NE2 3.4Å |
| 93 | R | 86.2 | Confident | 83.8 | Confident | 227 Ų | 227 | 79.2 Ų | 79.2 | 86% | 0.857 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -42.5 | -179.8 | 177.3 | 179.3 | 163.7 | 177.5 | -4.7 | 110.8 | D91 | D91-R93 VanDerWaalsContact C-N 3.26Å; D91-R93 PolarHBondContact O-N 2.87Å; D91-R93 WeakPolarHBondContact OD1-CB 3.24Å; D91-R93 PolarHBondContact OD1-N 3.46Å |
| 94 | N | 84 | Confident | 82.9 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -5.1 | 179.7 | -59.9 | -28.6 | 0 | 0 | 0 | 112.9 | D91 L96 | D91-N94 PolarHBondContact O-N 3.05Å; D91-N94 PolarHBondContact OD1-N 2.89Å; D91-N94 WeakPolarHBondContact OD2-CB 3.09Å; D91-N94 VanDerWaalsContact OD2-CG 3.27Å; D91-N94 PolarHBondContact OD2-ND2 2.92Å; N94-L96 VanDerWaalsContact C-N 3.3Å; N94-L96 HydrophobicContact CB-CD1 3.96Å; N94-L96 HydrophobicContact CB-CG 4.04Å |
| 95 | Q | 86.8 | Confident | 82 | Confident | 107 Ų | 107 | 84.4 Ų | 84.4 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 43.9 | -175.8 | -56.1 | -177.3 | -7.9 | 0 | 0 | 111.9 | Y58 D91 | Y58-Q95 VanDerWaalsContact CD1-C 3.44Å; Y58-Q95 VanDerWaalsContact CD1-O 3.25Å; Y58-Q95 WeakPolarHBondContact CD1-O 3.45Å; Y58-Q95 HydrophobicContact CD2-CB 3.99Å; Y58-Q95 HydrophobicContact CD2-CG 4.49Å; Y58-Q95 HydrophobicContact CE2-CB 4.5Å; Y58-Q95 HydrophobicContact CG-CB 4.05Å; Y58-Q95 PolarHBondContact N-O 3.1Å; D91-Q95 WeakPolarHBondContact O-CA 3.37Å; D91-Q95 PolarHBondContact O-N 3.28Å |
| 96 | L | 87.6 | Confident | 81.2 | Confident | 48 Ų | 48 | 86.9 Ų | 86.9 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142.7 | -179.9 | -60.3 | 175.8 | 0 | 0 | 0 | 109.7 | C55 P57 Y58 D91 N94 | C55-L96 HydrophobicContact CB-CD1 4.4Å; P57-L96 HydrophobicContact CB-CD2 4.01Å; P57-L96 HydrophobicContact CG-CD2 4.01Å; Y58-L96 VanDerWaalsContact CE1-C 3.47Å; D91-L96 WeakPolarHBondContact CA-O 3.29Å; D91-L96 PolarHBondContact N-O 3.35Å; D91-L96 PolarHBondContact O-N 3.47Å; N94-L96 VanDerWaalsContact C-N 3.3Å; N94-L96 HydrophobicContact CB-CD1 3.96Å; N94-L96 HydrophobicContact CB-CG 4.04Å |
| 97 | L | 85.3 | Confident | 80.5 | Confident | 5 Ų | 5 | 90.9 Ų | 90.9 | 3% | 0.026 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112.4 | 165.6 | 178 | 61.4 | 0 | 0 | 0 | 107.9 | C55 I56 Y58 L61 I77 L90 V99 | C55-L97 WeakPolarHBondContact CA-O 2.85Å; I56-L97 PolarHBondContact N-O 3.48Å; I56-L97 PolarHBondContact O-N 2.9Å; Y58-L97 HydrophobicContact CE1-CB 4.37Å; L61-L97 HydrophobicContact CD1-CB 4.43Å; L61-L97 HydrophobicContact CD1-CD2 4.24Å; I77-L97 HydrophobicContact CD1-CD2 4.32Å; I77-L97 HydrophobicContact CG1-CD2 4.38Å; I77-L97 HydrophobicContact CG2-CD1 3.75Å; I77-L97 HydrophobicContact CG2-CD2 4.12Å; L90-L97 HydrophobicContact CD1-CD1 4.25Å; L97-V99 HydrophobicContact CD2-CG2 3.96Å; L97-V99 HydrophobicContact CG-CG2 3.82Å |
| 98 | E | 86.3 | Confident | 79.9 | Confident | 39 Ų | 39 | 94 Ų | 94 | 18% | 0.182 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116.7 | 170.5 | -66.7 | 171.6 | -166.9 | 0 | 0 | 107.4 | G88 K89 | G88-E98 CarbonylContact C-O 3.34Å; G88-E98 WeakPolarHBondContact CA-O 3.39Å; K89-E98 HydrophobicContact CB-CB 4.21Å; K89-E98 PolarHBondContact N-O 2.8Å; K89-E98 PolarHBondContact O-N 3.3Å |
| 99 | V | 82.1 | Confident | 79.4 | Confident | 25 Ų | 25 | 101.6 Ų | 101.6 | 15% | 0.152 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.3 | 178.5 | -178.4 | 0 | 0 | 0 | 0 | 109 | E54 I56 I86 L97 C102 | E54-V99 PolarHBondContact O-N 3.46Å; I56-V99 HydrophobicContact CD1-CG2 4.07Å; I56-V99 HydrophobicContact CG1-CG2 4.5Å; I86-V99 HydrophobicContact CG2-CG1 3.94Å; I86-V99 HydrophobicContact CG2-CG2 4.17Å; L97-V99 HydrophobicContact CD2-CG2 3.96Å; L97-V99 HydrophobicContact CG-CG2 3.82Å; V99-C102 HydrophobicContact CG1-CB 4.3Å |
| 100 | D | 76.4 | Confident | 79 | Confident | 108 Ų | 108 | 101.8 Ų | 101.8 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -36.9 | 176.9 | -59.6 | -42.7 | 0 | 0 | 0 | 110.9 | Q53 Q87 | Q53-D100 PolarHBondContact NE2-OD1 3.29Å; Q87-D100 PolarHBondContact O-N 3.37Å |
| 101 | F | 76.7 | Confident | 78.1 | Confident | 111 Ų | 111 | 101.6 Ų | 101.6 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 148 | 178.1 | 174.6 | -96.4 | 0 | 0 | 0 | 111 | Q87 I103 | Q87-F101 HydrophobicContact CB-CB 4.15Å; Q87-F101 HydrophobicContact CG-CD1 4.32Å; Q87-F101 PolarHBondContact N-O 2.94Å; Q87-F101 PolarHBondContact O-N 3.03Å; F101-I103 HydrophobicContact CE1-CG2 4.13Å |
| 102 | C | 78.2 | Confident | 77.8 | Confident | 71 Ų | 71 | 103.9 Ų | 103.9 | 48% | 0.48 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.8 | 171.2 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | I85 I86 V99 | I85-C102 WeakPolarHBondContact O-CA 3.39Å; I86-C102 HydrophobicContact CG1-CB 4.48Å; V99-C102 HydrophobicContact CG1-CB 4.3Å |
| 103 | I | 75.3 | Confident | 77.5 | Confident | 81 Ų | 81 | 104.3 Ų | 104.3 | 42% | 0.415 | 51% | 0.509 | S | S | . | . | trans | -76.4 | 131.9 | 174.2 | 67.6 | 175 | 0 | 0 | 0 | 110.3 | I85 F101 R105 | I85-I103 HydrophobicContact CB-CD1 4.06Å; I85-I103 HydrophobicContact CB-CG1 4.2Å; I85-I103 HydrophobicContact CG1-CD1 3.84Å; I85-I103 HydrophobicContact CG2-CD1 3.91Å; I85-I103 HydrophobicContact CG2-CG1 3.71Å; I85-I103 PolarHBondContact O-N 3.38Å; F101-I103 HydrophobicContact CE1-CG2 4.13Å; I103-R105 PolarHBondContact O-N 3.35Å | ||
| 104 | G | 70 | Confident | 77 | Confident | 78 Ų | 78 | 98 Ų | 98 | 80% | 0.804 | 49% | 0.492 | S | S | * | . | trans | -69.4 | 99.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 105 | R | 66.3 | Low | 76.4 | Confident | 209 Ų | 209 | 96.9 Ų | 96.9 | 79% | 0.789 | 49% | 0.485 | S | S | * | . | trans | -79.8 | -39.3 | -175.9 | -164.6 | 177.2 | 72.8 | -167.4 | 0.2 | 113.7 | I103 | I103-R105 PolarHBondContact O-N 3.35Š| ||
| 106 | D | 68.6 | Low | 76 | Confident | 120 Ų | 120 | 95.7 Ų | 95.7 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | trans | -140.9 | 120.9 | -170.3 | -68.4 | -69.6 | 0 | 0 | 0 | 111.5 | ||||
| 107 | I | 69.3 | Low | 75.6 | Confident | 122 Ų | 122 | 99.3 Ų | 99.3 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | trans | -112 | 112.3 | 172.5 | -58.2 | 172.1 | 0 | 0 | 0 | 108.7 | I112 I115 | I107-I112 HydrophobicContact CG2-CG1 4.06Å; I107-I115 HydrophobicContact CG2-CD1 3.82Å | ||
| 108 | R | 70.4 | Confident | 75.1 | Confident | 161 Ų | 161 | 103.2 Ų | 103.2 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | trans | -82.3 | 140 | 175.4 | -54.7 | 173.7 | 172 | 175.4 | -7.1 | 109 | K110 D111 | R108-K110 HydrophobicContact CB-CG 3.98Å; R108-K110 PolarHBondContact O-N 3.19Å; R108-D111 WeakPolarHBondContact CB-OD2 3.5Å; R108-D111 PolarHBondContact O-N 2.9Å | ||
| 109 | K | 73.4 | Confident | 74.5 | Confident | 185 Ų | 185 | 105.9 Ų | 105.9 | 80% | 0.804 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -54.6 | -31.6 | -177.9 | -68.9 | -176.8 | 178.8 | 179.8 | 0 | 114.4 | D111 I112 | K109-D111 VanDerWaalsContact C-N 3.29Å; K109-D111 PolarHBondContact O-N 2.97Å; K109-I112 HydrophobicContact CB-CD1 4.4Å; K109-I112 HydrophobicContact CG-CD1 4.5Å |
| 110 | K | 75.4 | Confident | 74.1 | Confident | 139 Ų | 139 | 110.3 Ų | 110.3 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -67.4 | -27.4 | 176.4 | 57.3 | 174.3 | -177.9 | 177.2 | 0 | 113.6 | R108 | R108-K110 HydrophobicContact CB-CG 3.98Å; R108-K110 PolarHBondContact O-N 3.19Å |
| 111 | D | 70.6 | Confident | 74.2 | Confident | 54 Ų | 54 | 110.2 Ų | 110.2 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -91.5 | -7.9 | -174.2 | -59.7 | -39.3 | 0 | 0 | 0 | 111.8 | R108 K109 N113 N114 I115 | R108-D111 WeakPolarHBondContact CB-OD2 3.5Å; R108-D111 PolarHBondContact O-N 2.9Å; K109-D111 VanDerWaalsContact C-N 3.29Å; K109-D111 PolarHBondContact O-N 2.97Å; D111-N113 PolarHBondContact O-N 3.16Å; D111-N114 WeakPolarHBondContact O-CB 3.31Å; D111-N114 PolarHBondContact O-N 3.18Å; D111-N114 VanDerWaalsContact O-N 3.13Å; D111-I115 WeakPolarHBondContact O-CG1 3.25Å; D111-I115 PolarHBondContact O-N 3.24Å |
| 112 | I | 80 | Confident | 74.3 | Confident | 82 Ų | 82 | 113.3 Ų | 113.3 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.6 | -45.4 | 177.2 | -62.5 | 173 | 0 | 0 | 0 | 111.3 | I107 K109 N114 I115 V116 | I107-I112 HydrophobicContact CG2-CG1 4.06Å; K109-I112 HydrophobicContact CB-CD1 4.4Å; K109-I112 HydrophobicContact CG-CD1 4.5Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.49Å; I112-I115 PolarHBondContact O-N 3.4Å; I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 WeakPolarHBondContact O-CG2 3.4Å; I112-V116 PolarHBondContact O-N 3.43Å |
| 113 | N | 79.4 | Confident | 74.2 | Confident | 123 Ų | 123 | 113.3 Ų | 113.3 | 66% | 0.658 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.2 | -34.8 | 179 | -68.2 | -60.3 | 0 | 0 | 0 | 111.8 | D111 K117 | D111-N113 PolarHBondContact O-N 3.16Å; N113-K117 VanDerWaalsContact O-CB 3.29Å; N113-K117 WeakPolarHBondContact O-CB 3.43Å; N113-K117 PolarHBondContact O-N 3.36Å |
| 114 | N | 75.3 | Confident | 74.4 | Confident | 94 Ų | 94 | 113.3 Ų | 113.3 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -47.9 | 175 | -65.8 | -26.1 | 0 | 0 | 0 | 109.9 | D111 I112 V116 K117 T118 | D111-N114 WeakPolarHBondContact O-CB 3.31Å; D111-N114 PolarHBondContact O-N 3.18Å; D111-N114 VanDerWaalsContact O-N 3.13Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.49Å; N114-V116 VanDerWaalsContact C-N 3.32Å; N114-V116 PolarHBondContact O-N 3.08Å; N114-K117 WeakPolarHBondContact O-CB 3.39Å; N114-K117 PolarHBondContact O-N 2.91Å; N114-K117 VanDerWaalsContact O-N 3.08Å; N114-T118 PolarHBondContact O-N 3.4Å; N114-T118 PolarHBondContact O-OG1 2.91Å |
| 115 | I | 72.4 | Confident | 74.7 | Confident | 73 Ų | 73 | 111.3 Ų | 111.3 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.4 | -47.1 | 176.9 | -64.6 | 163 | 0 | 0 | 0 | 110.9 | I107 D111 I112 K117 T118 L119 | I107-I115 HydrophobicContact CG2-CD1 3.82Å; D111-I115 WeakPolarHBondContact O-CG1 3.25Å; D111-I115 PolarHBondContact O-N 3.24Å; I112-I115 PolarHBondContact O-N 3.4Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 2.82Å; I115-T118 PolarHBondContact O-N 3.42Å; I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.38Å; I115-L119 WeakPolarHBondContact O-CB 3.36Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.37Å |
| 116 | V | 76.8 | Confident | 75.1 | Confident | 81 Ų | 81 | 103.9 Ų | 103.9 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | I112 N114 L119 H120 | I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 WeakPolarHBondContact O-CG2 3.4Å; I112-V116 PolarHBondContact O-N 3.43Å; N114-V116 VanDerWaalsContact C-N 3.32Å; N114-V116 PolarHBondContact O-N 3.08Å; V116-L119 PolarHBondContact O-N 2.96Å; V116-H120 WeakPolarHBondContact O-CB 2.96Å; V116-H120 PolarHBondContact O-N 3.44Å |
| 117 | K | 80.3 | Confident | 75.4 | Confident | 124 Ų | 124 | 103.7 Ų | 103.7 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 178.5 | -178.6 | 178.3 | 169.1 | -178.5 | 0 | 111.7 | N113 N114 I115 L119 H120 E121 | N113-K117 VanDerWaalsContact O-CB 3.29Å; N113-K117 WeakPolarHBondContact O-CB 3.43Å; N113-K117 PolarHBondContact O-N 3.36Å; N114-K117 WeakPolarHBondContact O-CB 3.39Å; N114-K117 PolarHBondContact O-N 2.91Å; N114-K117 VanDerWaalsContact O-N 3.08Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 2.82Å; K117-L119 VanDerWaalsContact C-N 3.32Å; K117-L119 PolarHBondContact O-N 2.84Å; K117-H120 WeakPolarHBondContact O-CB 3.36Å; K117-H120 PolarHBondContact O-N 3.13Å; K117-H120 VanDerWaalsContact O-N 3.16Å; K117-E121 WeakPolarHBondContact CE-OE1 3.34Å; K117-E121 HydrophobicContact CG-CG 4.49Å; K117-E121 IonicContact NZ-OE1 3.74Å; K117-E121 WeakPolarHBondContact O-CG 3.21Å; K117-E121 PolarHBondContact O-N 3.39Å |
| 118 | T | 73.5 | Confident | 75.7 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | -180 | -34.4 | 0 | 0 | 0 | 0 | 111.5 | N114 I115 E121 W122 | N114-T118 PolarHBondContact O-N 3.4Å; N114-T118 PolarHBondContact O-OG1 2.91Å; I115-T118 PolarHBondContact O-N 3.42Å; T118-E121 PolarHBondContact O-N 3.16Å; T118-W122 WeakPolarHBondContact O-CB 3.44Å; T118-W122 PolarHBondContact O-N 2.94Å |
| 119 | L | 74 | Confident | 75.9 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 174.4 | -72.7 | 172.9 | 0 | 0 | 0 | 111.8 | I115 V116 K117 W122 C123 | I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.38Å; I115-L119 WeakPolarHBondContact O-CB 3.36Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.37Å; V116-L119 PolarHBondContact O-N 2.96Å; K117-L119 VanDerWaalsContact C-N 3.32Å; K117-L119 PolarHBondContact O-N 2.84Å; L119-W122 PolarHBondContact O-N 2.88Å; L119-C123 PolarHBondContact O-N 3.12Å; L119-C123 PolarHBondContact O-SG 3.02Å |
| 120 | H | 74.5 | Confident | 76.1 | Confident | 119 Ų | 119 | 92.9 Ų | 92.9 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.1 | -47.6 | 175.9 | -134.1 | 90.3 | 0 | 0 | 0 | 111.2 | V116 K117 W122 C123 D124 | V116-H120 WeakPolarHBondContact O-CB 2.96Å; V116-H120 PolarHBondContact O-N 3.44Å; K117-H120 WeakPolarHBondContact O-CB 3.36Å; K117-H120 PolarHBondContact O-N 3.13Å; K117-H120 VanDerWaalsContact O-N 3.16Å; H120-W122 PolarHBondContact O-N 3.35Å; H120-C123 WeakPolarHBondContact O-CB 3.43Å; H120-C123 PolarHBondContact O-N 3.5Å; H120-C123 VanDerWaalsContact O-N 3.1Å; H120-D124 IonicContact CD2-OD1 3.78Å; H120-D124 IonicContact CD2-OD2 3.72Å; H120-D124 WeakPolarHBondContact O-CB 3.47Å; H120-D124 PolarHBondContact O-N 3.33Å |
| 121 | E | 78.2 | Confident | 76.1 | Confident | 106 Ų | 106 | 90.1 Ų | 90.1 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.3 | -36.3 | 176.4 | -72.5 | 173.5 | 173.3 | 0 | 0 | 111.7 | K117 T118 G125 | K117-E121 WeakPolarHBondContact CE-OE1 3.34Å; K117-E121 HydrophobicContact CG-CG 4.49Å; K117-E121 IonicContact NZ-OE1 3.74Å; K117-E121 WeakPolarHBondContact O-CG 3.21Å; K117-E121 PolarHBondContact O-N 3.39Å; T118-E121 PolarHBondContact O-N 3.16Å; E121-G125 PolarHBondContact O-N 2.98Å |
| 122 | W | 77.6 | Confident | 76.2 | Confident | 175 Ų | 175 | 89.1 Ų | 89.1 | 66% | 0.663 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.3 | -44.4 | 174 | -175.4 | 56.2 | 0 | 0 | 0 | 112.2 | T118 L119 H120 G125 C126 | T118-W122 WeakPolarHBondContact O-CB 3.44Å; T118-W122 PolarHBondContact O-N 2.94Å; L119-W122 PolarHBondContact O-N 2.88Å; H120-W122 PolarHBondContact O-N 3.35Å; W122-G125 PolarHBondContact O-N 3.25Å; W122-C126 PolarHBondContact O-N 3.35Å; W122-C126 PolarHBondContact O-SG 2.9Å; W122-C126 VanDerWaalsContact O-SG 3.35Å |
| 123 | C | 76.6 | Confident | 75.9 | Confident | 71 Ų | 71 | 89.2 Ų | 89.2 | 48% | 0.48 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.1 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | L119 H120 G125 C126 E127 | L119-C123 PolarHBondContact O-N 3.12Å; L119-C123 PolarHBondContact O-SG 3.02Å; H120-C123 WeakPolarHBondContact O-CB 3.43Å; H120-C123 PolarHBondContact O-N 3.5Å; H120-C123 VanDerWaalsContact O-N 3.1Å; C123-G125 VanDerWaalsContact C-N 3.28Å; C123-G125 PolarHBondContact O-N 3.08Å; C123-C126 WeakPolarHBondContact O-CB 3.39Å; C123-C126 PolarHBondContact O-N 3.4Å; C123-E127 PolarHBondContact O-N 3.49Å |
| 124 | D | 79.6 | Confident | 75.6 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 177.4 | -66.6 | -14.5 | 0 | 0 | 0 | 110.7 | H120 E127 A128 | H120-D124 IonicContact CD2-OD1 3.78Å; H120-D124 IonicContact CD2-OD2 3.72Å; H120-D124 WeakPolarHBondContact O-CB 3.47Å; H120-D124 PolarHBondContact O-N 3.33Å; D124-E127 PolarHBondContact O-N 3.4Å; D124-A128 VanDerWaalsContact O-CB 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.42Å; D124-A128 PolarHBondContact O-N 2.89Å |
| 125 | G | 76.8 | Confident | 75.6 | Confident | 35 Ų | 35 | 89.6 Ų | 89.6 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | E121 W122 C123 A128 V129 | E121-G125 PolarHBondContact O-N 2.98Å; W122-G125 PolarHBondContact O-N 3.25Å; C123-G125 VanDerWaalsContact C-N 3.28Å; C123-G125 PolarHBondContact O-N 3.08Å; G125-A128 PolarHBondContact O-N 3.06Å; G125-V129 WeakPolarHBondContact O-CG2 3.31Å; G125-V129 PolarHBondContact O-N 3.22Å |
| 126 | C | 74.5 | Confident | 75.6 | Confident | 54 Ų | 54 | 89.4 Ų | 89.4 | 37% | 0.365 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 175 | -71 | 0 | 0 | 0 | 0 | 111.9 | W122 C123 V129 L130 | W122-C126 PolarHBondContact O-N 3.35Å; W122-C126 PolarHBondContact O-SG 2.9Å; W122-C126 VanDerWaalsContact O-SG 3.35Å; C123-C126 WeakPolarHBondContact O-CB 3.39Å; C123-C126 PolarHBondContact O-N 3.4Å; C126-V129 PolarHBondContact O-N 3.39Å; C126-L130 WeakPolarHBondContact O-CB 3.5Å; C126-L130 VanDerWaalsContact O-CG 3.31Å; C126-L130 WeakPolarHBondContact O-CG 3.29Å; C126-L130 PolarHBondContact O-N 3.01Å |
| 127 | E | 75.6 | Confident | 75.5 | Confident | 115 Ų | 115 | 89.2 Ų | 89.2 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.5 | -173.1 | 172.1 | -169.1 | 0 | 0 | 111.4 | C123 D124 V129 L130 L131 | C123-E127 PolarHBondContact O-N 3.49Å; D124-E127 PolarHBondContact O-N 3.4Å; E127-V129 PolarHBondContact O-N 3.11Å; E127-L130 PolarHBondContact O-N 3.49Å; E127-L131 HydrophobicContact CG-CD1 4Å; E127-L131 HydrophobicContact CG-CG 4.42Å; E127-L131 WeakPolarHBondContact O-CB 3.45Å; E127-L131 VanDerWaalsContact O-CG 3.31Å; E127-L131 WeakPolarHBondContact O-CG 3.38Å; E127-L131 PolarHBondContact O-N 3.05Å |
| 128 | A | 75.5 | Confident | 75.5 | Confident | 62 Ų | 62 | 88.3 Ų | 88.3 | 51% | 0.512 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D124 G125 G132 | D124-A128 VanDerWaalsContact O-CB 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.42Å; D124-A128 PolarHBondContact O-N 2.89Å; G125-A128 PolarHBondContact O-N 3.06Å; A128-G132 PolarHBondContact O-N 3.48Å |
| 129 | V | 74.7 | Confident | 75.9 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L35 G125 C126 E127 G132 I133 | L35-V129 HydrophobicContact CD1-CG1 4.3Å; G125-V129 WeakPolarHBondContact O-CG2 3.31Å; G125-V129 PolarHBondContact O-N 3.22Å; C126-V129 PolarHBondContact O-N 3.39Å; E127-V129 PolarHBondContact O-N 3.11Å; V129-G132 PolarHBondContact O-N 3.31Å; V129-I133 HydrophobicContact CG1-CD1 3.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.22Å; V129-I133 PolarHBondContact O-N 3.31Å |
| 130 | L | 76.4 | Confident | 76 | Confident | 108 Ų | 108 | 88.8 Ų | 88.8 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 176.8 | -74.5 | 169.9 | 0 | 0 | 0 | 111.5 | C126 E127 G132 I133 E134 | C126-L130 WeakPolarHBondContact O-CB 3.5Å; C126-L130 VanDerWaalsContact O-CG 3.31Å; C126-L130 WeakPolarHBondContact O-CG 3.29Å; C126-L130 PolarHBondContact O-N 3.01Å; E127-L130 PolarHBondContact O-N 3.49Å; L130-G132 VanDerWaalsContact C-N 3.29Å; L130-G132 PolarHBondContact O-N 2.94Å; L130-I133 PolarHBondContact O-N 2.9Å; L130-E134 WeakPolarHBondContact O-CG 3.4Å; L130-E134 PolarHBondContact O-N 3.06Å |
| 131 | L | 75.5 | Confident | 76.4 | Confident | 80 Ų | 80 | 86.5 Ų | 86.5 | 42% | 0.419 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 175.2 | -74.2 | 170.1 | 0 | 0 | 0 | 112 | E127 E134 Q135 | E127-L131 HydrophobicContact CG-CD1 4Å; E127-L131 HydrophobicContact CG-CG 4.42Å; E127-L131 WeakPolarHBondContact O-CB 3.45Å; E127-L131 VanDerWaalsContact O-CG 3.31Å; E127-L131 WeakPolarHBondContact O-CG 3.38Å; E127-L131 PolarHBondContact O-N 3.05Å; L131-E134 PolarHBondContact O-N 3.47Å; L131-Q135 WeakPolarHBondContact O-CB 3.35Å; L131-Q135 WeakPolarHBondContact O-CG 3.39Å; L131-Q135 PolarHBondContact O-N 3.2Å |
| 132 | G | 74.3 | Confident | 76.7 | Confident | 34 Ų | 34 | 87.1 Ų | 87.1 | 35% | 0.351 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A128 V129 L130 Q135 Q136 | A128-G132 PolarHBondContact O-N 3.48Å; V129-G132 PolarHBondContact O-N 3.31Å; L130-G132 VanDerWaalsContact C-N 3.29Å; L130-G132 PolarHBondContact O-N 2.94Å; G132-Q135 PolarHBondContact O-N 3.29Å; G132-Q136 PolarHBondContact O-N 3.11Å |
| 133 | I | 72.3 | Confident | 77 | Confident | 84 Ų | 84 | 87.1 Ų | 87.1 | 43% | 0.431 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 176.3 | -66.9 | 166 | 0 | 0 | 0 | 110.4 | V129 L130 Q135 Q136 V137 | V129-I133 HydrophobicContact CG1-CD1 3.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.22Å; V129-I133 PolarHBondContact O-N 3.31Å; L130-I133 PolarHBondContact O-N 2.9Å; I133-Q135 VanDerWaalsContact C-N 3.32Å; I133-Q135 PolarHBondContact O-N 3.44Å; I133-Q136 PolarHBondContact O-N 3.01Å; I133-Q136 VanDerWaalsContact O-N 3.11Å; I133-V137 HydrophobicContact CG2-CG2 4.41Å; I133-V137 WeakPolarHBondContact O-CG2 3.45Å; I133-V137 PolarHBondContact O-N 2.86Å |
| 134 | E | 72.9 | Confident | 77.4 | Confident | 122 Ų | 122 | 90.3 Ų | 90.3 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58 | -44.1 | 177.2 | -75.5 | -175.8 | 174.8 | 0 | 0 | 112 | L130 L131 Q136 V137 L138 | L130-E134 WeakPolarHBondContact O-CG 3.4Å; L130-E134 PolarHBondContact O-N 3.06Å; L131-E134 PolarHBondContact O-N 3.47Å; E134-Q136 VanDerWaalsContact C-N 3.34Å; E134-Q136 PolarHBondContact O-N 3.02Å; E134-V137 PolarHBondContact O-N 3.33Å; E134-L138 WeakPolarHBondContact O-CG 3.39Å; E134-L138 PolarHBondContact O-N 3.01Å |
| 135 | Q | 76.8 | Confident | 77.9 | Confident | 102 Ų | 102 | 93 Ų | 93 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 174.9 | -78.8 | -173.2 | 40.6 | 0 | 0 | 112.3 | L131 G132 I133 L138 R139 | L131-Q135 WeakPolarHBondContact O-CB 3.35Å; L131-Q135 WeakPolarHBondContact O-CG 3.39Å; L131-Q135 PolarHBondContact O-N 3.2Å; G132-Q135 PolarHBondContact O-N 3.29Å; I133-Q135 VanDerWaalsContact C-N 3.32Å; I133-Q135 PolarHBondContact O-N 3.44Å; Q135-L138 PolarHBondContact O-N 3.04Å; Q135-R139 WeakPolarHBondContact O-CG 3.4Å; Q135-R139 PolarHBondContact O-N 2.91Å |
| 136 | Q | 70.4 | Confident | 78.4 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.7 | -36.4 | 177.8 | -74.2 | -61.8 | 11.4 | 0 | 0 | 112.5 | E36 G132 I133 E134 L138 R139 A140 | E36-Q136 PolarHBondContact OE1-NE2 3.43Å; G132-Q136 PolarHBondContact O-N 3.11Å; I133-Q136 PolarHBondContact O-N 3.01Å; I133-Q136 VanDerWaalsContact O-N 3.11Å; E134-Q136 VanDerWaalsContact C-N 3.34Å; E134-Q136 PolarHBondContact O-N 3.02Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 2.92Å; Q136-R139 PolarHBondContact O-N 3.13Å; Q136-A140 VanDerWaalsContact O-CB 3.32Å; Q136-A140 WeakPolarHBondContact O-CB 3.39Å; Q136-A140 PolarHBondContact O-N 2.77Å |
| 137 | V | 75.3 | Confident | 79.1 | Confident | 77 Ų | 77 | 98.2 Ų | 98.2 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 171.1 | 172 | 0 | 0 | 0 | 0 | 110.9 | I133 E134 A140 N141 | I133-V137 HydrophobicContact CG2-CG2 4.41Å; I133-V137 WeakPolarHBondContact O-CG2 3.45Å; I133-V137 PolarHBondContact O-N 2.86Å; E134-V137 PolarHBondContact O-N 3.33Å; V137-A140 PolarHBondContact O-N 3.05Å; V137-N141 WeakPolarHBondContact O-CB 3.4Å; V137-N141 PolarHBondContact O-N 2.85Å; V137-N141 PolarHBondContact O-ND2 2.92Å |
| 138 | L | 80.9 | Confident | 79.7 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 176.1 | -77.3 | 170.2 | 0 | 0 | 0 | 112.1 | E134 Q135 Q136 A140 N141 Q142 | E134-L138 WeakPolarHBondContact O-CG 3.39Å; E134-L138 PolarHBondContact O-N 3.01Å; Q135-L138 PolarHBondContact O-N 3.04Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 2.92Å; L138-A140 PolarHBondContact O-N 3.23Å; L138-N141 PolarHBondContact O-N 3.14Å; L138-Q142 WeakPolarHBondContact O-CG 3.41Å; L138-Q142 PolarHBondContact O-N 3.24Å |
| 139 | R | 80.8 | Confident | 80.6 | Confident | 132 Ų | 132 | 100.2 Ų | 100.2 | 50% | 0.498 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.6 | -74.1 | 175.5 | -174.9 | 175.2 | 5.1 | 111.5 | Q135 Q136 N141 Q142 Y143 | Q135-R139 WeakPolarHBondContact O-CG 3.4Å; Q135-R139 PolarHBondContact O-N 2.91Å; Q136-R139 PolarHBondContact O-N 3.13Å; R139-N141 VanDerWaalsContact C-N 3.33Å; R139-N141 PolarHBondContact O-N 2.84Å; R139-Q142 PolarHBondContact O-N 2.98Å; R139-Y143 WeakPolarHBondContact O-CB 3.42Å; R139-Y143 PolarHBondContact O-N 3.05Å |
| 140 | A | 76.4 | Confident | 81.3 | Confident | 61 Ų | 61 | 100.3 Ų | 100.3 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q136 V137 L138 Y143 K144 | Q136-A140 VanDerWaalsContact O-CB 3.32Å; Q136-A140 WeakPolarHBondContact O-CB 3.39Å; Q136-A140 PolarHBondContact O-N 2.77Å; V137-A140 PolarHBondContact O-N 3.05Å; L138-A140 PolarHBondContact O-N 3.23Å; A140-Y143 PolarHBondContact O-N 2.87Å; A140-K144 WeakPolarHBondContact O-CB 3.48Å; A140-K144 PolarHBondContact O-N 3.38Å |
| 141 | N | 83.9 | Confident | 82.1 | Confident | 71 Ų | 71 | 99.5 Ų | 99.5 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 176.8 | -78.5 | -37.1 | 0 | 0 | 0 | 112.4 | V137 L138 R139 Y143 K144 E145 | V137-N141 WeakPolarHBondContact O-CB 3.4Å; V137-N141 PolarHBondContact O-N 2.85Å; V137-N141 PolarHBondContact O-ND2 2.92Å; L138-N141 PolarHBondContact O-N 3.14Å; R139-N141 VanDerWaalsContact C-N 3.33Å; R139-N141 PolarHBondContact O-N 2.84Å; N141-Y143 VanDerWaalsContact C-N 3.31Å; N141-Y143 PolarHBondContact O-N 3.42Å; N141-K144 PolarHBondContact O-N 3.49Å; N141-K144 PolarHBondContact OD1-NZ 3.07Å; N141-E145 WeakPolarHBondContact O-CB 3.47Å; N141-E145 PolarHBondContact O-N 3.38Å |
| 142 | Q | 84.6 | Confident | 82.9 | Confident | 118 Ų | 118 | 101.1 Ų | 101.1 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 174.7 | -74.2 | 178.1 | 3 | 0 | 0 | 111.9 | L138 R139 E145 N146 | L138-Q142 WeakPolarHBondContact O-CG 3.41Å; L138-Q142 PolarHBondContact O-N 3.24Å; R139-Q142 PolarHBondContact O-N 2.98Å; Q142-E145 PolarHBondContact O-N 3.37Å; Q142-N146 WeakPolarHBondContact O-CB 3.33Å; Q142-N146 PolarHBondContact O-N 2.87Å |
| 143 | Y | 82.4 | Confident | 83.8 | Confident | 176 Ų | 176 | 105 Ų | 105 | 69% | 0.69 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 177.8 | -159.9 | -91.4 | 0 | 0 | 0 | 111.3 | R139 A140 N141 E145 N146 H147 | R139-Y143 WeakPolarHBondContact O-CB 3.42Å; R139-Y143 PolarHBondContact O-N 3.05Å; A140-Y143 PolarHBondContact O-N 2.87Å; N141-Y143 VanDerWaalsContact C-N 3.31Å; N141-Y143 PolarHBondContact O-N 3.42Å; Y143-E145 VanDerWaalsContact C-N 3.34Å; Y143-E145 PolarHBondContact O-N 2.91Å; Y143-N146 PolarHBondContact O-N 3.41Å; Y143-H147 VanDerWaalsContact O-CB 3.27Å; Y143-H147 WeakPolarHBondContact O-CB 3.31Å; Y143-H147 PolarHBondContact O-N 2.71Å |
| 144 | K | 86.6 | Confident | 84.8 | Confident | 138 Ų | 138 | 105.1 Ų | 105.1 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -43.4 | 174.8 | -175.4 | -177.4 | 70.1 | -166.6 | 0 | 111.7 | A140 N141 H147 N148 | A140-K144 WeakPolarHBondContact O-CB 3.48Å; A140-K144 PolarHBondContact O-N 3.38Å; N141-K144 PolarHBondContact O-N 3.49Å; N141-K144 PolarHBondContact OD1-NZ 3.07Å; K144-H147 PolarHBondContact O-N 3.25Å; K144-N148 VanDerWaalsContact O-CB 3.31Å; K144-N148 WeakPolarHBondContact O-CB 3.32Å; K144-N148 PolarHBondContact O-N 3.2Å |
| 145 | E | 89.4 | Confident | 85.7 | Confident | 139 Ų | 139 | 104.6 Ų | 104.6 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -45.8 | 178.8 | -170.8 | 173.3 | -166.9 | 0 | 0 | 112 | N141 Q142 Y143 H147 N148 R149 | N141-E145 WeakPolarHBondContact O-CB 3.47Å; N141-E145 PolarHBondContact O-N 3.38Å; Q142-E145 PolarHBondContact O-N 3.37Å; Y143-E145 VanDerWaalsContact C-N 3.34Å; Y143-E145 PolarHBondContact O-N 2.91Å; E145-H147 VanDerWaalsContact C-N 3.34Å; E145-H147 PolarHBondContact O-N 3.26Å; E145-N148 PolarHBondContact O-N 3.13Å; E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 PolarHBondContact O-N 3.25Å |
| 146 | N | 86.6 | Confident | 86.4 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.2 | -79.6 | -22.3 | 0 | 0 | 0 | 112.4 | Q142 Y143 R149 T150 | Q142-N146 WeakPolarHBondContact O-CB 3.33Å; Q142-N146 PolarHBondContact O-N 2.87Å; Y143-N146 PolarHBondContact O-N 3.41Å; N146-R149 PolarHBondContact O-N 3.11Å; N146-R149 PolarHBondContact OD1-NH1 3.16Å; N146-T150 WeakPolarHBondContact O-CB 3Å; N146-T150 PolarHBondContact O-N 2.65Å; N146-T150 PolarHBondContact O-OG1 2.77Å |
| 147 | H | 88.9 | Confident | 87.5 | Confident | 114 Ų | 114 | 104.4 Ų | 104.4 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.1 | -174.9 | 73.2 | 0 | 0 | 0 | 110.8 | Y143 K144 E145 R149 T150 Q151 | Y143-H147 VanDerWaalsContact O-CB 3.27Å; Y143-H147 WeakPolarHBondContact O-CB 3.31Å; Y143-H147 PolarHBondContact O-N 2.71Å; K144-H147 PolarHBondContact O-N 3.25Å; E145-H147 VanDerWaalsContact C-N 3.34Å; E145-H147 PolarHBondContact O-N 3.26Å; H147-R149 PolarHBondContact O-N 3.17Å; H147-T150 PolarHBondContact O-N 3.16Å; H147-Q151 WeakPolarHBondContact O-CB 3.3Å; H147-Q151 PolarHBondContact O-N 3.17Å |
| 148 | N | 89.3 | Confident | 88.3 | Confident | 73 Ų | 73 | 104.8 Ų | 104.8 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 177.7 | -162.2 | -87.1 | 0 | 0 | 0 | 111.5 | K144 E145 T150 Q151 Q152 | K144-N148 VanDerWaalsContact O-CB 3.31Å; K144-N148 WeakPolarHBondContact O-CB 3.32Å; K144-N148 PolarHBondContact O-N 3.2Å; E145-N148 PolarHBondContact O-N 3.13Å; N148-T150 PolarHBondContact O-N 3.48Å; N148-Q151 PolarHBondContact O-N 3.31Å; N148-Q152 VanDerWaalsContact O-CG 3.3Å; N148-Q152 WeakPolarHBondContact O-CG 3.27Å; N148-Q152 PolarHBondContact O-N 2.82Å; N148-Q152 PolarHBondContact OD1-NE2 3.43Å |
| 149 | R | 93.5 | Very high | 88.8 | Confident | 147 Ų | 147 | 103.2 Ų | 103.2 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 176 | -162.1 | -175.9 | 100.6 | -129.8 | 4.8 | 111.9 | E145 N146 H147 Q152 Q153 | E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 PolarHBondContact O-N 3.25Å; N146-R149 PolarHBondContact O-N 3.11Å; N146-R149 PolarHBondContact OD1-NH1 3.16Å; H147-R149 PolarHBondContact O-N 3.17Å; R149-Q152 PolarHBondContact O-N 3.5Å; R149-Q153 WeakPolarHBondContact O-CB 3.43Å; R149-Q153 PolarHBondContact O-N 3.45Å |
| 150 | T | 91 | Very high | 89.4 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 178.5 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | N146 H147 N148 Q153 V154 | N146-T150 WeakPolarHBondContact O-CB 3Å; N146-T150 PolarHBondContact O-N 2.65Å; N146-T150 PolarHBondContact O-OG1 2.77Å; H147-T150 PolarHBondContact O-N 3.16Å; N148-T150 PolarHBondContact O-N 3.48Å; T150-Q153 PolarHBondContact O-N 2.99Å; T150-V154 WeakPolarHBondContact O-CG2 2.88Å; T150-V154 PolarHBondContact O-N 3.26Å |
| 151 | Q | 91.3 | Very high | 90.1 | Very high | 90 Ų | 90 | 102.9 Ų | 102.9 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 177 | -172.8 | -179.9 | 27.5 | 0 | 0 | 111.5 | H147 N148 Q153 V154 E155 | H147-Q151 WeakPolarHBondContact O-CB 3.3Å; H147-Q151 PolarHBondContact O-N 3.17Å; N148-Q151 PolarHBondContact O-N 3.31Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 3.38Å; Q151-V154 PolarHBondContact O-N 3.44Å; Q151-E155 WeakPolarHBondContact O-CG 3.07Å; Q151-E155 PolarHBondContact O-N 3.36Å |
| 152 | Q | 93 | Very high | 90.3 | Very high | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 175.3 | -72.7 | 178.5 | 18.2 | 0 | 0 | 112 | N148 R149 E155 A156 | N148-Q152 VanDerWaalsContact O-CG 3.3Å; N148-Q152 WeakPolarHBondContact O-CG 3.27Å; N148-Q152 PolarHBondContact O-N 2.82Å; N148-Q152 PolarHBondContact OD1-NE2 3.43Å; R149-Q152 PolarHBondContact O-N 3.5Å; Q152-E155 PolarHBondContact O-N 2.81Å; Q152-A156 WeakPolarHBondContact O-CB 3.47Å; Q152-A156 PolarHBondContact O-N 3.48Å |
| 153 | Q | 93.4 | Very high | 90.5 | Very high | 117 Ų | 117 | 108.2 Ų | 108.2 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 179.6 | -152.4 | 162.3 | 31.1 | 0 | 0 | 111.1 | R149 T150 Q151 A156 E157 | R149-Q153 WeakPolarHBondContact O-CB 3.43Å; R149-Q153 PolarHBondContact O-N 3.45Å; T150-Q153 PolarHBondContact O-N 2.99Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 3.38Å; Q153-A156 PolarHBondContact O-N 2.96Å; Q153-E157 WeakPolarHBondContact O-CG 3.18Å; Q153-E157 PolarHBondContact O-N 3.29Å |
| 154 | V | 92.8 | Very high | 90.7 | Very high | 86 Ų | 86 | 103.6 Ų | 103.6 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | T150 Q151 A156 E157 V158 | T150-V154 WeakPolarHBondContact O-CG2 2.88Å; T150-V154 PolarHBondContact O-N 3.26Å; Q151-V154 PolarHBondContact O-N 3.44Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 2.85Å; V154-E157 PolarHBondContact O-N 3.21Å; V154-V158 HydrophobicContact CG1-CG2 4.43Å; V154-V158 VanDerWaalsContact O-CG2 3.29Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 2.84Å |
| 155 | E | 92.2 | Very high | 90.5 | Very high | 111 Ų | 111 | 102.8 Ų | 102.8 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 177.4 | -75.9 | 178.5 | -174.5 | 0 | 0 | 112.4 | Q151 Q152 T159 | Q151-E155 WeakPolarHBondContact O-CG 3.07Å; Q151-E155 PolarHBondContact O-N 3.36Å; Q152-E155 PolarHBondContact O-N 2.81Å; E155-T159 WeakPolarHBondContact O-CB 3.19Å; E155-T159 PolarHBondContact O-N 2.9Å; E155-T159 PolarHBondContact O-OG1 2.85Å |
| 156 | A | 91.8 | Very high | 90.3 | Very high | 56 Ų | 56 | 103.7 Ų | 103.7 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q152 Q153 V154 T159 N160 | Q152-A156 WeakPolarHBondContact O-CB 3.47Å; Q152-A156 PolarHBondContact O-N 3.48Å; Q153-A156 PolarHBondContact O-N 2.96Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 2.85Å; A156-T159 WeakPolarHBondContact O-CB 3.47Å; A156-T159 PolarHBondContact O-N 2.91Å; A156-N160 WeakPolarHBondContact O-CB 3.25Å; A156-N160 PolarHBondContact O-N 3.41Å |
| 157 | E | 93.2 | Very high | 89.9 | Confident | 110 Ų | 110 | 102.5 Ų | 102.5 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.7 | -72.2 | -61.4 | 146.8 | 0 | 0 | 111.5 | Q153 V154 T159 N160 I161 | Q153-E157 WeakPolarHBondContact O-CG 3.18Å; Q153-E157 PolarHBondContact O-N 3.29Å; V154-E157 PolarHBondContact O-N 3.21Å; E157-T159 VanDerWaalsContact C-N 3.3Å; E157-T159 PolarHBondContact O-N 3.23Å; E157-N160 PolarHBondContact O-N 2.99Å; E157-N160 VanDerWaalsContact O-N 3.15Å; E157-I161 WeakPolarHBondContact O-CB 3.41Å; E157-I161 VanDerWaalsContact O-CG1 3.29Å; E157-I161 WeakPolarHBondContact O-CG1 3.4Å; E157-I161 PolarHBondContact O-N 2.68Å |
| 158 | V | 92.4 | Very high | 89.2 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | V154 N160 K162 | V154-V158 HydrophobicContact CG1-CG2 4.43Å; V154-V158 VanDerWaalsContact O-CG2 3.29Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 2.84Å; V158-N160 VanDerWaalsContact C-N 3.33Å; V158-N160 PolarHBondContact O-N 3.48Å; V158-K162 VanDerWaalsContact O-CB 3.29Å; V158-K162 WeakPolarHBondContact O-CB 3.35Å; V158-K162 PolarHBondContact O-N 2.92Å |
| 159 | T | 91.7 | Very high | 88.4 | Confident | 73 Ų | 73 | 100.6 Ų | 100.6 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | E155 A156 E157 K162 K163 | E155-T159 WeakPolarHBondContact O-CB 3.19Å; E155-T159 PolarHBondContact O-N 2.9Å; E155-T159 PolarHBondContact O-OG1 2.85Å; A156-T159 WeakPolarHBondContact O-CB 3.47Å; A156-T159 PolarHBondContact O-N 2.91Å; E157-T159 VanDerWaalsContact C-N 3.3Å; E157-T159 PolarHBondContact O-N 3.23Å; T159-K162 PolarHBondContact O-N 3.3Å; T159-K163 WeakPolarHBondContact O-CG 3.4Å; T159-K163 PolarHBondContact O-N 2.91Å |
| 160 | N | 92.4 | Very high | 86.9 | Confident | 91 Ų | 91 | 96.3 Ų | 96.3 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -46.6 | -179.9 | -152.2 | 15.8 | 0 | 0 | 0 | 111.3 | A156 E157 V158 K162 K163 T164 | A156-N160 WeakPolarHBondContact O-CB 3.25Å; A156-N160 PolarHBondContact O-N 3.41Å; E157-N160 PolarHBondContact O-N 2.99Å; E157-N160 VanDerWaalsContact O-N 3.15Å; V158-N160 VanDerWaalsContact C-N 3.33Å; V158-N160 PolarHBondContact O-N 3.48Å; N160-K162 VanDerWaalsContact C-N 3.31Å; N160-K162 PolarHBondContact O-N 2.86Å; N160-K163 WeakPolarHBondContact O-CB 3.26Å; N160-K163 PolarHBondContact O-N 2.91Å; N160-K163 VanDerWaalsContact O-N 3.15Å; N160-T164 PolarHBondContact O-N 3.22Å; N160-T164 PolarHBondContact O-OG1 3.32Å; N160-T164 VanDerWaalsContact O-OG1 3.1Å |
| 161 | I | 91.4 | Very high | 85.4 | Confident | 94 Ų | 94 | 95.6 Ų | 95.6 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 173.9 | -67.4 | 166.2 | 0 | 0 | 0 | 110.7 | E157 K163 T164 L165 | E157-I161 WeakPolarHBondContact O-CB 3.41Å; E157-I161 VanDerWaalsContact O-CG1 3.29Å; E157-I161 WeakPolarHBondContact O-CG1 3.4Å; E157-I161 PolarHBondContact O-N 2.68Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 2.93Å; I161-T164 PolarHBondContact O-N 3.33Å; I161-L165 HydrophobicContact CG2-CD1 3.8Å; I161-L165 HydrophobicContact CG2-CG 4.28Å; I161-L165 WeakPolarHBondContact O-CB 3.48Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.88Å |
| 162 | K | 88.6 | Confident | 83.9 | Confident | 159 Ų | 159 | 94.2 Ų | 94.2 | 69% | 0.691 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -38.5 | 178.3 | -167.6 | 175.7 | -176.8 | 177.4 | 0 | 112.2 | V158 T159 N160 K166 | V158-K162 VanDerWaalsContact O-CB 3.29Å; V158-K162 WeakPolarHBondContact O-CB 3.35Å; V158-K162 PolarHBondContact O-N 2.92Å; T159-K162 PolarHBondContact O-N 3.3Å; N160-K162 VanDerWaalsContact C-N 3.31Å; N160-K162 PolarHBondContact O-N 2.86Å; K162-K166 WeakPolarHBondContact O-CB 3.4Å; K162-K166 PolarHBondContact O-N 3.23Å; K162-K166 VanDerWaalsContact O-N 3.15Å |
| 163 | K | 89.9 | Confident | 82.2 | Confident | 142 Ų | 142 | 91.4 Ų | 91.4 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -47.4 | 173.9 | -74.9 | 175.2 | -178.8 | 176.7 | 0 | 111.5 | T159 N160 I161 K166 A167 | T159-K163 WeakPolarHBondContact O-CG 3.4Å; T159-K163 PolarHBondContact O-N 2.91Å; N160-K163 WeakPolarHBondContact O-CB 3.26Å; N160-K163 PolarHBondContact O-N 2.91Å; N160-K163 VanDerWaalsContact O-N 3.15Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 2.93Å; K163-K166 PolarHBondContact O-N 3.46Å; K163-A167 PolarHBondContact O-N 3.41Å |
| 164 | T | 86.3 | Confident | 80.4 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | N160 I161 K166 A167 T168 | N160-T164 PolarHBondContact O-N 3.22Å; N160-T164 PolarHBondContact O-OG1 3.32Å; N160-T164 VanDerWaalsContact O-OG1 3.1Å; I161-T164 PolarHBondContact O-N 3.33Å; T164-K166 VanDerWaalsContact C-N 3.32Å; T164-K166 PolarHBondContact O-N 3.05Å; T164-A167 PolarHBondContact O-N 3.34Å; T164-T168 PolarHBondContact O-N 3.18Å; T164-T168 PolarHBondContact O-OG1 3.06Å |
| 165 | L | 82.3 | Confident | 78.6 | Confident | 120 Ų | 120 | 93.9 Ų | 93.9 | 63% | 0.628 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.5 | -41.9 | 175.8 | -75.9 | 169.6 | 0 | 0 | 0 | 112.2 | I161 A169 | I161-L165 HydrophobicContact CG2-CD1 3.8Å; I161-L165 HydrophobicContact CG2-CG 4.28Å; I161-L165 WeakPolarHBondContact O-CB 3.48Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.88Å; L165-A169 VanDerWaalsContact O-CB 3.27Å; L165-A169 WeakPolarHBondContact O-CB 3.32Å; L165-A169 PolarHBondContact O-N 3.07Å |
| 166 | K | 85.1 | Confident | 76.8 | Confident | 158 Ų | 158 | 95.1 Ų | 95.1 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.1 | -39.4 | 177.1 | -167.8 | 177.7 | -178.8 | -176.6 | 0 | 112 | K162 K163 T164 S170 | K162-K166 WeakPolarHBondContact O-CB 3.4Å; K162-K166 PolarHBondContact O-N 3.23Å; K162-K166 VanDerWaalsContact O-N 3.15Å; K163-K166 PolarHBondContact O-N 3.46Å; T164-K166 VanDerWaalsContact C-N 3.32Å; T164-K166 PolarHBondContact O-N 3.05Å; K166-S170 WeakPolarHBondContact O-CB 3.35Å; K166-S170 PolarHBondContact O-N 2.92Å; K166-S170 PolarHBondContact O-OG 2.9Å |
| 167 | A | 77.8 | Confident | 74.9 | Confident | 59 Ų | 59 | 99.4 Ų | 99.4 | 49% | 0.488 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K163 T164 A169 S170 S171 | K163-A167 PolarHBondContact O-N 3.41Å; T164-A167 PolarHBondContact O-N 3.34Å; A167-A169 VanDerWaalsContact C-N 3.35Å; A167-A169 PolarHBondContact O-N 3.06Å; A167-S170 PolarHBondContact O-N 3.29Å; A167-S171 PolarHBondContact O-N 3.38Å |
| 168 | T | 73.8 | Confident | 73 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.9 | -48.3 | 0 | 0 | 0 | 0 | 111.6 | T164 S170 S171 S172 | T164-T168 PolarHBondContact O-N 3.18Å; T164-T168 PolarHBondContact O-OG1 3.06Å; T168-S170 VanDerWaalsContact C-N 3.34Å; T168-S170 PolarHBondContact O-N 2.98Å; T168-S171 PolarHBondContact O-N 2.75Å; T168-S172 PolarHBondContact O-N 3.48Å; T168-S172 PolarHBondContact O-OG 3.03Å |
| 169 | A | 72.1 | Confident | 71.1 | Confident | 59 Ų | 59 | 103.1 Ų | 103.1 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.1 | -30.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L165 A167 S172 A173 | L165-A169 VanDerWaalsContact O-CB 3.27Å; L165-A169 WeakPolarHBondContact O-CB 3.32Å; L165-A169 PolarHBondContact O-N 3.07Å; A167-A169 VanDerWaalsContact C-N 3.35Å; A167-A169 PolarHBondContact O-N 3.06Å; A169-S172 WeakPolarHBondContact CA-OG 3.41Å; A169-S172 PolarHBondContact O-OG 2.94Å; A169-A173 WeakPolarHBondContact O-CB 3.37Å; A169-A173 PolarHBondContact O-N 3.03Å |
| 170 | S | 62.8 | Low | 69.1 | Low | 58 Ų | 58 | 105.6 Ų | 105.6 | 41% | 0.406 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.3 | -37.6 | 175.3 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | K166 A167 T168 A173 Q174 | K166-S170 WeakPolarHBondContact O-CB 3.35Å; K166-S170 PolarHBondContact O-N 2.92Å; K166-S170 PolarHBondContact O-OG 2.9Å; A167-S170 PolarHBondContact O-N 3.29Å; T168-S170 VanDerWaalsContact C-N 3.34Å; T168-S170 PolarHBondContact O-N 2.98Å; S170-A173 PolarHBondContact O-N 2.9Å; S170-Q174 WeakPolarHBondContact O-CG 3.39Å; S170-Q174 PolarHBondContact O-N 3.14Å; S170-Q174 VanDerWaalsContact O-N 3.12Å |
| 171 | S | 60.1 | Low | 67.2 | Low | 59 Ų | 59 | 105 Ų | 105 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.8 | -42.6 | 175.1 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | A167 T168 Q174 E175 | A167-S171 PolarHBondContact O-N 3.38Å; T168-S171 PolarHBondContact O-N 2.75Å; S171-Q174 PolarHBondContact O-N 3.35Å; S171-E175 PolarHBondContact O-N 2.88Å |
| 172 | S | 59.5 | Low | 65.2 | Low | 61 Ų | 61 | 108.3 Ų | 108.3 | 43% | 0.427 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.9 | -27.8 | 177.8 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | T168 A169 M176 | T168-S172 PolarHBondContact O-N 3.48Å; T168-S172 PolarHBondContact O-OG 3.03Å; A169-S172 WeakPolarHBondContact CA-OG 3.41Å; A169-S172 PolarHBondContact O-OG 2.94Å; S172-M176 WeakPolarHBondContact O-CB 3.25Å; S172-M176 PolarHBondContact O-N 3.49Å; S172-M176 VanDerWaalsContact O-N 3.16Å |
| 173 | A | 57.1 | Low | 63.4 | Low | 55 Ų | 55 | 111.4 Ų | 111.4 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.6 | -41.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A169 S170 M176 E177 | A169-A173 WeakPolarHBondContact O-CB 3.37Å; A169-A173 PolarHBondContact O-N 3.03Å; S170-A173 PolarHBondContact O-N 2.9Å; A173-M176 PolarHBondContact O-N 3.17Å; A173-E177 PolarHBondContact O-N 3.21Å; A173-E177 VanDerWaalsContact O-N 3.15Å |
| 174 | Q | 55.3 | Low | 61.1 | Low | 136 Ų | 136 | 113.2 Ų | 113.2 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.4 | -38.9 | 175.8 | -71.7 | -175.9 | -74.9 | 0 | 0 | 112.7 | S170 S171 M176 E177 Q178 | S170-Q174 WeakPolarHBondContact O-CG 3.39Å; S170-Q174 PolarHBondContact O-N 3.14Å; S170-Q174 VanDerWaalsContact O-N 3.12Å; S171-Q174 PolarHBondContact O-N 3.35Å; Q174-M176 VanDerWaalsContact C-N 3.35Å; Q174-M176 PolarHBondContact O-N 3.33Å; Q174-E177 PolarHBondContact O-N 2.94Å; Q174-Q178 WeakPolarHBondContact O-CB 3.35Å; Q174-Q178 PolarHBondContact O-N 3.27Å |
| 175 | E | 54.4 | Low | 58.7 | Low | 118 Ų | 118 | 115.2 Ų | 115.2 | 55% | 0.551 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.5 | -34.7 | 175.9 | -77.3 | -179.7 | 157.2 | 0 | 0 | 112.9 | S171 Q179 | S171-E175 PolarHBondContact O-N 2.88Å; E175-Q179 PolarHBondContact O-N 3.49Å |
| 176 | M | 54.8 | Low | 56.8 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.1 | -35.2 | 177.3 | -162.9 | 169.5 | -133.4 | 0 | 0 | 112.2 | S172 A173 Q174 L180 | S172-M176 WeakPolarHBondContact O-CB 3.25Å; S172-M176 PolarHBondContact O-N 3.49Å; S172-M176 VanDerWaalsContact O-N 3.16Å; A173-M176 PolarHBondContact O-N 3.17Å; Q174-M176 VanDerWaalsContact C-N 3.35Å; Q174-M176 PolarHBondContact O-N 3.33Å; M176-L180 PolarHBondContact O-N 3.36Å |
| 177 | E | 52.7 | Low | 55 | Low | 147 Ų | 147 | 113.3 Ų | 113.3 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.2 | -32.5 | 177.2 | -160.7 | 155 | -168.8 | 0 | 0 | 112 | A173 Q174 L180 A181 | A173-E177 PolarHBondContact O-N 3.21Å; A173-E177 VanDerWaalsContact O-N 3.15Å; Q174-E177 PolarHBondContact O-N 2.94Å; E177-L180 PolarHBondContact O-N 3.29Å; E177-A181 PolarHBondContact O-N 3.29Å |
| 178 | Q | 53.1 | Low | 53 | Low | 133 Ų | 133 | 119.6 Ų | 119.6 | 62% | 0.621 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.1 | -34.4 | 174.9 | -150.3 | 153.4 | 26.3 | 0 | 0 | 112.6 | Q174 A181 E182 | Q174-Q178 WeakPolarHBondContact O-CB 3.35Å; Q174-Q178 PolarHBondContact O-N 3.27Å; Q178-A181 PolarHBondContact O-N 2.77Å; Q178-E182 PolarHBondContact O-N 3.3Å |
| 179 | Q | 51.3 | Low | 51.2 | Low | 140 Ų | 140 | 119.5 Ų | 119.5 | 65% | 0.654 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.6 | -24.1 | 173.2 | -77.9 | 179 | 18 | 0 | 0 | 114.3 | E175 | E175-Q179 PolarHBondContact O-N 3.49Å |
| 180 | L | 50.7 | Low | 49.8 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.9 | -34 | 173 | -86.8 | 152.7 | 0 | 0 | 0 | 111.8 | M176 E177 | M176-L180 PolarHBondContact O-N 3.36Å; E177-L180 PolarHBondContact O-N 3.29Å |
| 181 | A | 52.5 | Low | 48.6 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.5 | -24.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | E177 Q178 | E177-A181 PolarHBondContact O-N 3.29Å; Q178-A181 PolarHBondContact O-N 2.77Å |
| 182 | E | 48.8 | Very low | 47.5 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -5 | 177 | -85.5 | -175.4 | 98.4 | 0 | 0 | 114.7 | Q178 | Q178-E182 PolarHBondContact O-N 3.3Š|
| 183 | R | 51.6 | Low | 46.4 | Very low | 223 Ų | 223 | 145.5 Ų | 145.5 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 5.5 | -179.3 | -73.7 | -169.4 | 90 | 116.7 | -0.7 | 115.9 | ||
| 184 | E | 40.9 | Very low | 45.8 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -115.5 | 42.7 | -177.7 | -67 | -149.4 | 121.7 | 0 | 0 | 115.5 | ||
| 185 | C | 35.7 | Very low | 45.3 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -136.8 | 136.5 | 164.9 | -91 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 186 | P | 42.3 | Very low | 44.7 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -82.7 | 162.2 | -170.9 | 30.7 | -26.8 | 0 | 0 | 0 | 112.9 | ||||
| 187 | P | 46.8 | Very low | 43.9 | Very low | 118 Ų | 118 | 154.5 Ų | 154.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -85.3 | 139.5 | -166.9 | 33.9 | -31.8 | 0 | 0 | 0 | 111.7 | ||||
| 188 | H | 36.5 | Very low | 43.5 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 89% | 0.889 | 78% | 0.783 | S | S | * | * | trans | -155.3 | 132.6 | 153.3 | -116.2 | -79 | 0 | 0 | 0 | 114.4 | ||||
| 189 | A | 36.7 | Very low | 43 | Very low | 84 Ų | 84 | 155.3 Ų | 155.3 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | 74.2 | 107.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 190 | E | 42.4 | Very low | 42.5 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | 6.9 | 127.7 | 141.2 | -74 | 167.3 | 79.1 | 0 | 0 | 120.2 | ||||
| 191 | Q | 37.7 | Very low | 42 | Very low | 190 Ų | 190 | 157.1 Ų | 157.1 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | -167.8 | 122.7 | 116.7 | -109.4 | 161.8 | 1 | 0 | 0 | 115.1 | |||||
| 192 | R | 35.8 | Very low | 41.7 | Very low | 245 Ų | 245 | 162.6 Ų | 162.6 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | 30.8 | 133.8 | 147.3 | -75.6 | -178.3 | 172.4 | 179.3 | -2 | 122.8 | ||||
| 193 | Q | 37.5 | Very low | 41.4 | Very low | 161 Ų | 161 | 158 Ų | 158 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -61.7 | 169.4 | 163.5 | -51.9 | 178.9 | -8.1 | 0 | 0 | 113.4 | ||||
| 194 | P | 44.7 | Very low | 41.2 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | -137.4 | 148.3 | 82.9 | 30 | -11.1 | 0 | 0 | 0 | 115.8 | |||||
| 195 | T | 43.4 | Very low | 41.3 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 64% | 0.638 | 82% | 0.815 | S | S | * | * | trans | -47 | 151.3 | 169.6 | 56.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 196 | K | 41.8 | Very low | 41.6 | Very low | 216 Ų | 216 | 152.1 Ų | 152.1 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | -156.9 | 146.8 | 134.9 | -105.3 | 167.7 | -167.4 | -178.2 | 0 | 111.8 | ||||
| 197 | K | 39.4 | Very low | 41.8 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -82.8 | 154.1 | -154.1 | -69.3 | 172.9 | 171.4 | 175.5 | 0 | 115.3 | ||||
| 198 | M | 43 | Very low | 41.9 | Very low | 165 Ų | 165 | 156.8 Ų | 156.8 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | 34.3 | 132.2 | 134.7 | -58.9 | 171.5 | 73.4 | 0 | 0 | 119.6 | ||||
| 199 | S | 43.3 | Very low | 42.3 | Very low | 132 Ų | 132 | 160.2 Ų | 160.2 | 92% | 0.923 | 83% | 0.829 | S | S | * | * | -162.4 | 155 | 120.5 | -86.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 200 | K | 40.6 | Very low | 42.6 | Very low | 184 Ų | 184 | 164 Ų | 164 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -103.8 | 142.9 | -153.4 | -171.3 | 174.5 | 177.1 | 175.7 | 0 | 109.8 | ||||
| 201 | V | 41.1 | Very low | 42.6 | Very low | 119 Ų | 119 | 162.8 Ų | 162.8 | 72% | 0.721 | 83% | 0.834 | S | S | * | * | trans | 53.6 | 127.7 | 141.3 | 175.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 202 | K | 46.4 | Very low | 42.9 | Very low | 193 Ų | 193 | 161.3 Ų | 161.3 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | -170.2 | 124.9 | 113.6 | -104.8 | 177.1 | -178.6 | 177.8 | 0 | 111 | |||||
| 203 | G | 42.1 | Very low | 43.3 | Very low | 68 Ų | 68 | 156.4 Ų | 156.4 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -71.3 | 161.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 204 | L | 46.5 | Very low | 43.7 | Very low | 173 Ų | 173 | 156.1 Ų | 156.1 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | -149 | 130.1 | 157 | -110.7 | 137.4 | 0 | 0 | 0 | 109.3 | ||||
| 205 | V | 44.2 | Very low | 43.6 | Very low | 131 Ų | 131 | 158.1 Ų | 158.1 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -93.1 | 145.7 | -177.1 | 157.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 206 | S | 40.3 | Very low | 43.6 | Very low | 98 Ų | 98 | 161.9 Ų | 161.9 | 69% | 0.685 | 84% | 0.844 | S | S | * | * | trans | 58.9 | 126.8 | 148.1 | -164.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 207 | S | 46.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 157.8 Ų | 157.8 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | -152.8 | 127.3 | 122.2 | -97.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 208 | R | 49.2 | Very low | 44.1 | Very low | 215 Ų | 215 | 155.2 Ų | 155.2 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | -49.9 | 149.3 | 153.2 | -71.7 | 170 | 161.9 | -176.5 | -7.1 | 110.3 | ||||
| 209 | H | 45.8 | Very low | 44.2 | Very low | 263 Ų | 263 | 154.3 Ų | 154.3 | 100% | 1.218 | 84% | 0.84 | S | S | * | * | -161.7 | 0 | 95.5 | -87.4 | 78.2 | 0 | 0 | 0 | 108.1 |
Retrieved 209 of 209 residues in 117.6 ms
(Link to these results)