| 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 | 82.1 | Confident | 92.8 | Very high | 194 Ų | 194 | 81.5 Ų | 81.5 | 96% | 0.956 | 41% | 0.411 | S | S | * | . | 0 | -60 | 0 | -73 | -174.1 | -83.1 | 0 | 0 | 111.1 | F3 A4 E5 | M1-F3 PolarHBondContact O-N 2.75Å; M1-A4 PolarHBondContact O-N 3.11Å; M1-E5 PolarHBondContact O-N 2.84Å | |||
| 2 | F | 93.2 | Very high | 92.5 | Very high | 117 Ų | 117 | 84.5 Ų | 84.5 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -40.7 | -58.3 | 179.4 | 178.4 | -110.6 | 0 | 0 | 0 | 116.3 | A4 E5 L6 V19 | F2-A4 VanDerWaalsContact C-N 3.32Å; F2-A4 PolarHBondContact O-N 3.17Å; F2-E5 PolarHBondContact O-N 2.88Å; F2-L6 HydrophobicContact CD1-CD1 4.2Å; F2-L6 HydrophobicContact CE1-CD1 3.59Å; F2-L6 HydrophobicContact CE1-CG 4.48Å; F2-L6 HydrophobicContact CE2-CD1 4.1Å; F2-L6 HydrophobicContact CE2-CD2 4.44Å; F2-L6 HydrophobicContact CE2-CG 4.24Å; F2-L6 HydrophobicContact CZ-CD1 3.53Å; F2-L6 HydrophobicContact CZ-CD2 4.5Å; F2-L6 HydrophobicContact CZ-CG 4.17Å; F2-L6 PolarHBondContact O-N 3.49Å; F2-V19 HydrophobicContact CE1-CG1 4.4Å |
| 3 | F | 94 | Very high | 92.2 | Very high | 37 Ų | 37 | 84.3 Ų | 84.3 | 16% | 0.162 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.9 | -36.4 | -179 | -66.4 | -73.1 | 0 | 0 | 0 | 114.1 | M1 A7 V19 Y21 Q109 Y110 | M1-F3 PolarHBondContact O-N 2.75Å; F3-A7 PolarHBondContact O-N 3.28Å; F3-A7 VanDerWaalsContact O-N 3.14Å; F3-V19 HydrophobicContact CD1-CG2 4.42Å; F3-V19 HydrophobicContact CE1-CG1 3.7Å; F3-V19 HydrophobicContact CE1-CG2 4.13Å; F3-V19 HydrophobicContact CZ-CG1 4.26Å; F3-Y21 HydrophobicContact CE1-CE1 4.11Å; F3-Y21 HydrophobicContact CZ-CE1 4.29Å; F3-Q109 HydrophobicContact CD1-CB 3.7Å; F3-Q109 HydrophobicContact CE1-CB 4.15Å; F3-Q109 WeakPolarHBondContact CE1-O 3.46Å; F3-Y110 VanDerWaalsContact CD2-CB 3.48Å |
| 4 | A | 92.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 82.8 Ų | 82.8 | 32% | 0.322 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 F2 A7 S8 | M1-A4 PolarHBondContact O-N 3.11Å; F2-A4 VanDerWaalsContact C-N 3.32Å; F2-A4 PolarHBondContact O-N 3.17Å; A4-A7 PolarHBondContact O-N 2.98Å; A4-S8 WeakPolarHBondContact O-CB 3.31Å; A4-S8 PolarHBondContact O-N 3.24Å; A4-S8 PolarHBondContact O-OG 2.89Å |
| 5 | E | 94 | Very high | 92.7 | Very high | 100 Ų | 100 | 83.2 Ų | 83.2 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 174.5 | -74.9 | 166.2 | -159.1 | 0 | 0 | 111.3 | M1 F2 A7 S8 Q9 | M1-E5 PolarHBondContact O-N 2.84Å; F2-E5 PolarHBondContact O-N 2.88Å; E5-A7 VanDerWaalsContact C-N 3.31Å; E5-A7 PolarHBondContact O-N 3.47Å; E5-S8 WeakPolarHBondContact CA-OG 3.49Å; E5-S8 PolarHBondContact O-N 2.88Å; E5-S8 VanDerWaalsContact O-N 3.1Å; E5-S8 PolarHBondContact O-OG 3.06Å; E5-Q9 WeakPolarHBondContact O-CG 3.44Å; E5-Q9 PolarHBondContact O-N 3.02Å |
| 6 | L | 93.9 | Very high | 93 | Very high | 26 Ų | 26 | 78.4 Ų | 78.4 | 14% | 0.136 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -54.2 | -47.3 | 174.8 | -72.7 | 179 | 0 | 0 | 0 | 112 | F2 Q9 H10 P17 V19 | F2-L6 HydrophobicContact CD1-CD1 4.2Å; F2-L6 HydrophobicContact CE1-CD1 3.59Å; F2-L6 HydrophobicContact CE1-CG 4.48Å; F2-L6 HydrophobicContact CE2-CD1 4.1Å; F2-L6 HydrophobicContact CE2-CD2 4.44Å; F2-L6 HydrophobicContact CE2-CG 4.24Å; F2-L6 HydrophobicContact CZ-CD1 3.53Å; F2-L6 HydrophobicContact CZ-CD2 4.5Å; F2-L6 HydrophobicContact CZ-CG 4.17Å; F2-L6 PolarHBondContact O-N 3.49Å; L6-Q9 PolarHBondContact O-N 3.34Å; L6-H10 PolarHBondContact O-N 3.29Å; L6-P17 HydrophobicContact CD2-CB 4.04Å; L6-P17 HydrophobicContact CD2-CG 4.48Å; L6-V19 HydrophobicContact CD1-CG2 3.76Å |
| 7 | A | 95 | Very high | 93.2 | Very high | 10 Ų | 10 | 76.2 Ų | 76.2 | 8% | 0.083 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F3 A4 E5 Q9 H10 P86 A87 | F3-A7 PolarHBondContact O-N 3.28Å; F3-A7 VanDerWaalsContact O-N 3.14Å; A4-A7 PolarHBondContact O-N 2.98Å; E5-A7 VanDerWaalsContact C-N 3.31Å; E5-A7 PolarHBondContact O-N 3.47Å; A7-Q9 VanDerWaalsContact C-N 3.34Å; A7-Q9 PolarHBondContact O-N 3.06Å; A7-H10 PolarHBondContact O-N 3.27Å; A7-P86 HydrophobicContact CB-CB 4.08Å; A7-A87 VanDerWaalsContact CB-C 3.49Å |
| 8 | S | 93 | Very high | 93.4 | Very high | 79 Ų | 79 | 77.7 Ų | 77.7 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.6 | -31.8 | 180 | 75 | 0 | 0 | 0 | 0 | 113.5 | A4 E5 | A4-S8 WeakPolarHBondContact O-CB 3.31Å; A4-S8 PolarHBondContact O-N 3.24Å; A4-S8 PolarHBondContact O-OG 2.89Å; E5-S8 WeakPolarHBondContact CA-OG 3.49Å; E5-S8 PolarHBondContact O-N 2.88Å; E5-S8 VanDerWaalsContact O-N 3.1Å; E5-S8 PolarHBondContact O-OG 3.06Å |
| 9 | Q | 93.9 | Very high | 93.6 | Very high | 130 Ų | 130 | 73.8 Ų | 73.8 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -82.5 | -23.9 | -179.3 | -69.4 | 173.9 | 8.7 | 0 | 0 | 112.4 | E5 L6 A7 K11 | E5-Q9 WeakPolarHBondContact O-CG 3.44Å; E5-Q9 PolarHBondContact O-N 3.02Å; L6-Q9 PolarHBondContact O-N 3.34Å; A7-Q9 VanDerWaalsContact C-N 3.34Å; A7-Q9 PolarHBondContact O-N 3.06Å; Q9-K11 PolarHBondContact O-N 3.23Å |
| 10 | H | 95.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 77 Ų | 77 | 11% | 0.111 | 45% | 0.45 | C | S | . | . | trans | -60 | 133.7 | 179.2 | -177.3 | -100.6 | 0 | 0 | 0 | 112.1 | L6 A7 S14 P86 | L6-H10 PolarHBondContact O-N 3.29Å; A7-H10 PolarHBondContact O-N 3.27Å; H10-S14 PolarHBondContact NE2-O 2.97Å; H10-P86 HydrophobicContact CB-CG 3.52Å; H10-P86 VanDerWaalsContact CG-CG 3.46Å | ||
| 11 | K | 93.1 | Very high | 94 | Very high | 141 Ų | 141 | 74.2 Ų | 74.2 | 61% | 0.613 | 43% | 0.432 | S | S | * | . | trans | -114.1 | 142.5 | 174.9 | -59.5 | -58 | -179.2 | -167.3 | 0 | 109.8 | Q9 G13 S14 | Q9-K11 PolarHBondContact O-N 3.23Å; K11-G13 PolarHBondContact O-N 2.78Å; K11-S14 WeakPolarHBondContact O-CB 3.35Å; K11-S14 PolarHBondContact O-N 3Å | ||
| 12 | S | 89.1 | Confident | 94.7 | Very high | 117 Ų | 117 | 68.6 Ų | 68.6 | 82% | 0.818 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 131.7 | 175.5 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 13 | G | 89.4 | Confident | 94.9 | Very high | 82 Ų | 82 | 69.2 Ų | 69.2 | 85% | 0.845 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -16.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | K11 | K11-G13 PolarHBondContact O-N 2.78Š|
| 14 | S | 95.2 | Very high | 95 | Very high | 63 Ų | 63 | 72.7 Ų | 72.7 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -83.7 | 148.6 | 170.4 | -55.8 | 0 | 0 | 0 | 0 | 111 | H10 K11 | H10-S14 PolarHBondContact NE2-O 2.97Å; K11-S14 WeakPolarHBondContact O-CB 3.35Å; K11-S14 PolarHBondContact O-N 3Å |
| 15 | P | 96.8 | Very high | 95.3 | Very high | 89 Ų | 89 | 72.7 Ų | 72.7 | 58% | 0.578 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -54 | 144.2 | 171.7 | -24.3 | 33.9 | 0 | 0 | 0 | 111.6 | ||
| 16 | I | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.036 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 130.8 | 176 | -54.7 | 172.6 | 0 | 0 | 0 | 108.7 | T18 L69 E70 L84 P86 | I16-T18 PolarHBondContact O-N 3.45Å; I16-L69 HydrophobicContact CD1-CB 3.98Å; I16-L69 HydrophobicContact CG2-CB 3.89Å; I16-L69 HydrophobicContact CG2-CD1 4.48Å; I16-E70 HydrophobicContact CB-CB 4.12Å; I16-E70 PolarHBondContact N-OE2 3.49Å; I16-L84 HydrophobicContact CD1-CB 4.03Å; I16-L84 WeakPolarHBondContact CD1-O 3.13Å; I16-P86 HydrophobicContact CG2-CB 4.33Å; I16-P86 HydrophobicContact CG2-CG 4.07Å |
| 17 | P | 96.5 | Very high | 95.7 | Very high | 41 Ų | 41 | 72 Ų | 72 | 27% | 0.266 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 132.8 | -180 | -24.1 | 34.1 | 0 | 0 | 0 | 112.3 | L6 Q109 | L6-P17 HydrophobicContact CD2-CB 4.04Å; L6-P17 HydrophobicContact CD2-CG 4.48Å; P17-Q109 PolarHBondContact O-NE2 3.35Å; P17-Q109 VanDerWaalsContact O-NE2 3.14Å |
| 18 | T | 96.7 | Very high | 95.8 | Very high | 103 Ų | 103 | 71.8 Ų | 71.8 | 63% | 0.632 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -69 | 142.1 | 171.8 | -51.8 | 0 | 0 | 0 | 0 | 110.4 | I16 Q68 | I16-T18 PolarHBondContact O-N 3.45Å; T18-Q68 HydrophobicContact CG2-CG 4.09Å |
| 19 | V | 97 | Very high | 96 | Very high | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.024 | 39% | 0.393 | C | S | . | . | trans | -112.9 | 129.6 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | F2 F3 L6 Y21 Q68 Q109 | F2-V19 HydrophobicContact CE1-CG1 4.4Å; F3-V19 HydrophobicContact CD1-CG2 4.42Å; F3-V19 HydrophobicContact CE1-CG1 3.7Å; F3-V19 HydrophobicContact CE1-CG2 4.13Å; F3-V19 HydrophobicContact CZ-CG1 4.26Å; L6-V19 HydrophobicContact CD1-CG2 3.76Å; V19-Y21 HydrophobicContact CB-CD2 4.36Å; V19-Y21 HydrophobicContact CB-CE1 4.31Å; V19-Y21 HydrophobicContact CB-CE2 3.93Å; V19-Y21 HydrophobicContact CG1-CD1 3.73Å; V19-Y21 HydrophobicContact CG1-CD2 4.03Å; V19-Y21 HydrophobicContact CG1-CE1 3.64Å; V19-Y21 HydrophobicContact CG1-CE2 3.95Å; V19-Y21 HydrophobicContact CG1-CG 3.94Å; V19-Y21 PolarHBondContact O-N 3.5Å; V19-Q68 PolarHBondContact O-NE2 2.72Å; V19-Q109 HydrophobicContact CG2-CB 4.43Å; V19-Q109 VanDerWaalsContact CG2-NE2 3.33Å | ||
| 20 | T | 97.2 | Very high | 96.2 | Very high | 137 Ų | 137 | 65.7 Ų | 65.7 | 84% | 0.84 | 38% | 0.38 | S | S | * | . | trans | -83.6 | 93.1 | 165.8 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 21 | Y | 97.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 68.9 Ų | 68.9 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | trans | -69.8 | 139.4 | 175.8 | -63.5 | -78.3 | 0 | 0 | 0 | 111.4 | F3 V19 E25 I66 Q109 V111 | F3-Y21 HydrophobicContact CE1-CE1 4.11Å; F3-Y21 HydrophobicContact CZ-CE1 4.29Å; V19-Y21 HydrophobicContact CB-CD2 4.36Å; V19-Y21 HydrophobicContact CB-CE1 4.31Å; V19-Y21 HydrophobicContact CB-CE2 3.93Å; V19-Y21 HydrophobicContact CG1-CD1 3.73Å; V19-Y21 HydrophobicContact CG1-CD2 4.03Å; V19-Y21 HydrophobicContact CG1-CE1 3.64Å; V19-Y21 HydrophobicContact CG1-CE2 3.95Å; V19-Y21 HydrophobicContact CG1-CG 3.94Å; V19-Y21 PolarHBondContact O-N 3.5Å; Y21-E25 HydrophobicContact CD1-CB 4.4Å; Y21-I66 HydrophobicContact CD1-CD1 3.55Å; Y21-I66 HydrophobicContact CD2-CB 3.71Å; Y21-I66 HydrophobicContact CD2-CD1 4.06Å; Y21-I66 HydrophobicContact CD2-CG1 4.46Å; Y21-I66 HydrophobicContact CD2-CG2 4.05Å; Y21-I66 HydrophobicContact CE1-CD1 3.96Å; Y21-I66 HydrophobicContact CE1-CG2 4.2Å; Y21-I66 HydrophobicContact CE2-CB 3.7Å; Y21-I66 HydrophobicContact CE2-CD1 4.43Å; Y21-I66 HydrophobicContact CE2-CG2 3.5Å; Y21-I66 VanDerWaalsContact CE2-CG2 3.5Å; Y21-I66 HydrophobicContact CG-CB 4.17Å; Y21-I66 HydrophobicContact CG-CD1 3.6Å; Y21-I66 HydrophobicContact CG-CG1 4.45Å; Y21-Q109 VanDerWaalsContact CE1-O 3.31Å; Y21-Q109 WeakPolarHBondContact CE1-O 3.47Å; Y21-Q109 PolarHBondContact OH-O 2.8Å; Y21-V111 HydrophobicContact CD1-CG2 3.96Å; Y21-V111 HydrophobicContact CE1-CG2 3.94Å | ||
| 22 | T | 97.4 | Very high | 96.3 | Very high | 75 Ų | 75 | 62.4 Ų | 62.4 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | trans | -69.3 | 160.2 | 175.2 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | K24 E25 N26 | T22-K24 PolarHBondContact O-N 3.43Å; T22-K24 VanDerWaalsContact O-N 3.17Å; T22-E25 WeakPolarHBondContact CB-OE2 3.45Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.39Å; T22-E25 PolarHBondContact N-OE2 3.05Å; T22-E25 WeakPolarHBondContact O-CB 3.45Å; T22-E25 PolarHBondContact O-N 3.23Å; T22-E25 VanDerWaalsContact O-N 3.11Å; T22-E25 VanDerWaalsContact OG1-CG 3.31Å; T22-E25 WeakPolarHBondContact OG1-CG 3.29Å; T22-E25 PolarHBondContact OG1-N 3.14Å; T22-E25 PolarHBondContact OG1-OE2 3.33Å; T22-N26 PolarHBondContact O-N 3.1Å | ||
| 23 | Q | 97.3 | Very high | 96.6 | Very high | 130 Ų | 130 | 57.1 Ų | 57.1 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56.9 | -34.1 | 174.6 | -170.9 | 60 | 49.2 | 0 | 0 | 112.5 | N26 N27 | Q23-N26 PolarHBondContact O-N 3.35Å; Q23-N27 PolarHBondContact NE2-OD1 2.75Å; Q23-N27 WeakPolarHBondContact O-CB 3.41Å; Q23-N27 PolarHBondContact O-N 2.93Å; Q23-N27 PolarHBondContact O-ND2 2.83Å; Q23-N27 PolarHBondContact O-OD1 3.22Å |
| 24 | K | 97.2 | Very high | 96.9 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 48% | 0.478 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 179.3 | -168.5 | 176.9 | -63.2 | -177.7 | 0 | 112.1 | T22 T28 W114 | T22-K24 PolarHBondContact O-N 3.43Å; T22-K24 VanDerWaalsContact O-N 3.17Å; K24-T28 PolarHBondContact O-N 3.06Å; K24-T28 PolarHBondContact O-OG1 3.39Å; K24-W114 HydrophobicContact CD-CB 4.08Å; K24-W114 VanDerWaalsContact CD-CD1 3.42Å; K24-W114 HydrophobicContact CD-CD2 3.8Å; K24-W114 HydrophobicContact CD-CG 3.49Å; K24-W114 VanDerWaalsContact CD-CG 3.49Å; K24-W114 HydrophobicContact CG-CB 3.85Å; K24-W114 HydrophobicContact CG-CD2 4.33Å; K24-W114 HydrophobicContact CG-CG 3.83Å |
| 25 | E | 97.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 58 Ų | 58 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -46.4 | 174.7 | -74 | 166.7 | 142.5 | 0 | 0 | 111 | Y21 T22 N27 T28 W29 I66 V111 | Y21-E25 HydrophobicContact CD1-CB 4.4Å; T22-E25 WeakPolarHBondContact CB-OE2 3.45Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.39Å; T22-E25 PolarHBondContact N-OE2 3.05Å; T22-E25 WeakPolarHBondContact O-CB 3.45Å; T22-E25 PolarHBondContact O-N 3.23Å; T22-E25 VanDerWaalsContact O-N 3.11Å; T22-E25 VanDerWaalsContact OG1-CG 3.31Å; T22-E25 WeakPolarHBondContact OG1-CG 3.29Å; T22-E25 PolarHBondContact OG1-N 3.14Å; T22-E25 PolarHBondContact OG1-OE2 3.33Å; E25-N27 VanDerWaalsContact C-N 3.31Å; E25-N27 PolarHBondContact O-N 2.91Å; E25-T28 WeakPolarHBondContact O-CB 3.09Å; E25-T28 PolarHBondContact O-N 3.14Å; E25-T28 VanDerWaalsContact O-N 3.14Å; E25-W29 PolarHBondContact O-N 3.39Å; E25-I66 HydrophobicContact CB-CD1 4.17Å; E25-V111 HydrophobicContact CB-CB 4.3Å; E25-V111 HydrophobicContact CB-CG2 3.89Å; E25-V111 HydrophobicContact CG-CB 4.02Å; E25-V111 HydrophobicContact CG-CG2 3.95Å |
| 26 | N | 98.2 | Very high | 96.4 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -38 | 174.3 | -73.9 | -38.9 | 0 | 0 | 0 | 112.3 | T22 Q23 W29 K30 I66 | T22-N26 PolarHBondContact O-N 3.1Å; Q23-N26 PolarHBondContact O-N 3.35Å; N26-W29 WeakPolarHBondContact O-CB 3.33Å; N26-W29 PolarHBondContact O-N 2.88Å; N26-K30 WeakPolarHBondContact O-CB 3.1Å; N26-K30 PolarHBondContact O-N 3.39Å; N26-I66 PolarHBondContact OD1-N 2.94Å |
| 27 | N | 97.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 174.2 | -70.5 | -6.2 | 0 | 0 | 0 | 112.2 | Q23 E25 K30 E31 | Q23-N27 PolarHBondContact NE2-OD1 2.75Å; Q23-N27 WeakPolarHBondContact O-CB 3.41Å; Q23-N27 PolarHBondContact O-N 2.93Å; Q23-N27 PolarHBondContact O-ND2 2.83Å; Q23-N27 PolarHBondContact O-OD1 3.22Å; E25-N27 VanDerWaalsContact C-N 3.31Å; E25-N27 PolarHBondContact O-N 2.91Å; N27-K30 PolarHBondContact O-N 3.45Å; N27-E31 PolarHBondContact O-N 3.19Å |
| 28 | T | 97.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.8 | -56 | 0 | 0 | 0 | 0 | 110.5 | K24 E25 V32 V111 R112 W114 P117 I126 | K24-T28 PolarHBondContact O-N 3.06Å; K24-T28 PolarHBondContact O-OG1 3.39Å; E25-T28 WeakPolarHBondContact O-CB 3.09Å; E25-T28 PolarHBondContact O-N 3.14Å; E25-T28 VanDerWaalsContact O-N 3.14Å; T28-V32 WeakPolarHBondContact O-CG2 3.05Å; T28-V32 PolarHBondContact O-N 2.98Å; T28-V111 HydrophobicContact CG2-CG1 3.96Å; T28-R112 HydrophobicContact CG2-CG 3.93Å; T28-W114 WeakPolarHBondContact OG1-CA 3.28Å; T28-W114 VanDerWaalsContact OG1-CB 3.29Å; T28-W114 WeakPolarHBondContact OG1-CB 3.49Å; T28-P117 HydrophobicContact CG2-CB 4.07Å; T28-I126 HydrophobicContact CG2-CD1 4.24Å |
| 29 | W | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.3 | -51.6 | 172.3 | 162.8 | -93.3 | 0 | 0 | 0 | 111.8 | E25 N26 E31 V32 Y33 F61 S62 F65 I66 P67 I126 L129 L130 | E25-W29 PolarHBondContact O-N 3.39Å; N26-W29 WeakPolarHBondContact O-CB 3.33Å; N26-W29 PolarHBondContact O-N 2.88Å; W29-E31 VanDerWaalsContact C-N 3.32Å; W29-E31 PolarHBondContact O-N 3.33Å; W29-V32 PolarHBondContact O-N 2.8Å; W29-Y33 AromaticContact CE2-CD2 3.7Å; W29-Y33 AromaticContact CH2-CD2 3.94Å; W29-Y33 HydrophobicContact CH2-CD2 3.94Å; W29-Y33 HydrophobicContact CH2-CE2 4.31Å; W29-Y33 AromaticContact CZ2-CD2 3.32Å; W29-Y33 HydrophobicContact CZ2-CD2 3.32Å; W29-Y33 AromaticContact CZ2-CE2 3.72Å; W29-Y33 HydrophobicContact CZ2-CE2 3.72Å; W29-Y33 HydrophobicContact CZ2-CG 4.42Å; W29-Y33 VanDerWaalsContact O-CB 3.25Å; W29-Y33 WeakPolarHBondContact O-CB 3.31Å; W29-Y33 PolarHBondContact O-N 3.18Å; W29-F61 HydrophobicContact CH2-CD1 4.48Å; W29-F61 HydrophobicContact CH2-CE1 4.48Å; W29-S62 PolarHBondContact NE1-O 3.28Å; W29-F65 PolarHBondContact NE1-O 2.96Å; W29-F65 VanDerWaalsContact NE1-O 3.09Å; W29-I66 HydrophobicContact CB-CD1 4Å; W29-I66 HydrophobicContact CB-CG1 3.43Å; W29-I66 VanDerWaalsContact CB-CG1 3.43Å; W29-I66 HydrophobicContact CD2-CG1 3.87Å; W29-I66 HydrophobicContact CE3-CG1 4.15Å; W29-I66 HydrophobicContact CG-CG1 3.55Å; W29-P67 HydrophobicContact CH2-CG 4.01Å; W29-P67 HydrophobicContact CZ2-CG 3.98Å; W29-I126 HydrophobicContact CE3-CG1 4.09Å; W29-I126 HydrophobicContact CE3-CG2 4.39Å; W29-L129 HydrophobicContact CH2-CB 4.25Å; W29-L129 HydrophobicContact CH2-CD1 4.38Å; W29-L129 HydrophobicContact CZ3-CB 4.06Å; W29-L129 HydrophobicContact CZ3-CD1 4.02Å; W29-L130 HydrophobicContact CH2-CD1 4.26Å; W29-L130 HydrophobicContact CH2-CD2 3.76Å; W29-L130 HydrophobicContact CH2-CG 3.89Å; W29-L130 HydrophobicContact CZ2-CD2 4.45Å; W29-L130 HydrophobicContact CZ3-CD1 4.11Å; W29-L130 HydrophobicContact CZ3-CD2 4.31Å; W29-L130 HydrophobicContact CZ3-CG 3.9Å |
| 30 | K | 97.9 | Very high | 95 | Very high | 81 Ų | 81 | 53 Ų | 53 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54 | -47.6 | -179.5 | -176.4 | 158.3 | -176.7 | 157.1 | 0 | 112.4 | N26 N27 Y33 L34 P63 D64 | N26-K30 WeakPolarHBondContact O-CB 3.1Å; N26-K30 PolarHBondContact O-N 3.39Å; N27-K30 PolarHBondContact O-N 3.45Å; K30-Y33 PolarHBondContact O-N 3.08Å; K30-L34 HydrophobicContact CG-CD1 4Å; K30-L34 WeakPolarHBondContact O-CG 3.3Å; K30-L34 PolarHBondContact O-N 3.14Å; K30-P63 VanDerWaalsContact CA-O 3.27Å; K30-P63 WeakPolarHBondContact CA-O 3.41Å; K30-P63 WeakPolarHBondContact CB-O 3.45Å; K30-P63 HydrophobicContact CG-CB 4.22Å; K30-P63 WeakPolarHBondContact CG-O 3.33Å; K30-D64 IonicContact NZ-OD1 3.75Å; K30-D64 PolarHBondContact NZ-OD1 3.45Å |
| 31 | E | 96.2 | Very high | 94.5 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | -179.8 | -173.5 | 176.9 | 155.9 | 0 | 0 | 111.9 | N27 W29 K35 P117 H118 | N27-E31 PolarHBondContact O-N 3.19Å; W29-E31 VanDerWaalsContact C-N 3.32Å; W29-E31 PolarHBondContact O-N 3.33Å; E31-K35 WeakPolarHBondContact O-CB 3.25Å; E31-K35 PolarHBondContact O-N 3.31Å; E31-P117 VanDerWaalsContact CD-CG 3.41Å; E31-P117 HydrophobicContact CG-CB 4.49Å; E31-P117 HydrophobicContact CG-CG 4.4Å; E31-P117 WeakPolarHBondContact OE1-CG 3.47Å; E31-H118 IonicContact OE1-CD2 2.75Å; E31-H118 IonicContact OE1-CE1 3.7Å; E31-H118 IonicContact OE1-NE2 3.67Å; E31-H118 PolarHBondContact OE1-NE2 3.48Å |
| 32 | V | 94.7 | Very high | 94 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.1 | -40.2 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | T28 W29 K35 L36 P117 I126 | T28-V32 WeakPolarHBondContact O-CG2 3.05Å; T28-V32 PolarHBondContact O-N 2.98Å; W29-V32 PolarHBondContact O-N 2.8Å; V32-K35 PolarHBondContact O-N 3.21Å; V32-L36 HydrophobicContact CG1-CD1 3.6Å; V32-L36 HydrophobicContact CG1-CG 4Å; V32-L36 WeakPolarHBondContact O-CB 3.06Å; V32-L36 WeakPolarHBondContact O-CG 3.35Å; V32-L36 PolarHBondContact O-N 2.91Å; V32-P117 HydrophobicContact CG2-CB 3.94Å; V32-P117 WeakPolarHBondContact CG2-O 3.43Å; V32-I126 HydrophobicContact CB-CD1 4.3Å; V32-I126 HydrophobicContact CB-CG2 4.03Å; V32-I126 HydrophobicContact CG1-CG2 3.57Å; V32-I126 HydrophobicContact CG2-CD1 4.16Å |
| 33 | Y | 95.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -56.2 | 179.2 | -170.4 | -79.2 | 0 | 0 | 0 | 111.2 | W29 K30 K35 L36 R37 E56 F61 P63 L130 | W29-Y33 AromaticContact CE2-CD2 3.7Å; W29-Y33 AromaticContact CH2-CD2 3.94Å; W29-Y33 HydrophobicContact CH2-CD2 3.94Å; W29-Y33 HydrophobicContact CH2-CE2 4.31Å; W29-Y33 AromaticContact CZ2-CD2 3.32Å; W29-Y33 HydrophobicContact CZ2-CD2 3.32Å; W29-Y33 AromaticContact CZ2-CE2 3.72Å; W29-Y33 HydrophobicContact CZ2-CE2 3.72Å; W29-Y33 HydrophobicContact CZ2-CG 4.42Å; W29-Y33 VanDerWaalsContact O-CB 3.25Å; W29-Y33 WeakPolarHBondContact O-CB 3.31Å; W29-Y33 PolarHBondContact O-N 3.18Å; K30-Y33 PolarHBondContact O-N 3.08Å; Y33-K35 VanDerWaalsContact C-N 3.29Å; Y33-K35 PolarHBondContact O-N 3.34Å; Y33-L36 PolarHBondContact O-N 3.19Å; Y33-R37 HydrophobicContact CD1-CB 4.47Å; Y33-R37 HydrophobicContact CE1-CB 4.38Å; Y33-R37 VanDerWaalsContact O-CB 3.27Å; Y33-R37 WeakPolarHBondContact O-CB 3.44Å; Y33-R37 PolarHBondContact O-N 3.29Å; Y33-E56 VanDerWaalsContact OH-CD 3.3Å; Y33-E56 WeakPolarHBondContact OH-CG 3.3Å; Y33-E56 PolarHBondContact OH-OE1 3.48Å; Y33-F61 HydrophobicContact CE2-CD1 4.42Å; Y33-P63 HydrophobicContact CD1-CB 3.82Å; Y33-P63 HydrophobicContact CE1-CB 4.42Å; Y33-P63 HydrophobicContact CG-CB 4.28Å; Y33-L130 HydrophobicContact CD2-CD1 4.04Å; Y33-L130 HydrophobicContact CD2-CD2 3.74Å; Y33-L130 HydrophobicContact CE2-CD2 3.76Å |
| 34 | L | 95.4 | Very high | 92.6 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61 | -41.5 | -177.8 | -68.4 | 173.8 | 0 | 0 | 0 | 111.3 | K30 S38 P63 | K30-L34 HydrophobicContact CG-CD1 4Å; K30-L34 WeakPolarHBondContact O-CG 3.3Å; K30-L34 PolarHBondContact O-N 3.14Å; L34-S38 PolarHBondContact O-N 2.83Å; L34-P63 HydrophobicContact CD2-CB 3.89Å; L34-P63 HydrophobicContact CD2-CG 4.26Å; L34-P63 HydrophobicContact CG-CB 4.09Å |
| 35 | K | 91.9 | Very high | 92 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -51.6 | 178.6 | -171.8 | 66.4 | 177.9 | -175.5 | 0 | 111.4 | E31 V32 Y33 S38 M39 | E31-K35 WeakPolarHBondContact O-CB 3.25Å; E31-K35 PolarHBondContact O-N 3.31Å; V32-K35 PolarHBondContact O-N 3.21Å; Y33-K35 VanDerWaalsContact C-N 3.29Å; Y33-K35 PolarHBondContact O-N 3.34Å; K35-S38 PolarHBondContact O-N 3.3Å; K35-S38 PolarHBondContact O-OG 3.29Å; K35-M39 WeakPolarHBondContact O-CG 3.08Å; K35-M39 PolarHBondContact O-N 3.43Å |
| 36 | L | 90.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 179.9 | -72.5 | -179.3 | 0 | 0 | 0 | 111.8 | V32 Y33 S38 M39 H40 L130 A180 | V32-L36 HydrophobicContact CG1-CD1 3.6Å; V32-L36 HydrophobicContact CG1-CG 4Å; V32-L36 WeakPolarHBondContact O-CB 3.06Å; V32-L36 WeakPolarHBondContact O-CG 3.35Å; V32-L36 PolarHBondContact O-N 2.91Å; Y33-L36 PolarHBondContact O-N 3.19Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.04Å; L36-M39 CarbonylContact O-C 3.51Å; L36-M39 WeakPolarHBondContact O-CB 2.99Å; L36-M39 PolarHBondContact O-N 3.14Å; L36-H40 WeakPolarHBondContact O-CB 3.44Å; L36-H40 PolarHBondContact O-CD2 2.96Å; L36-H40 PolarHBondContact O-N 3.23Å; L36-L130 HydrophobicContact CD1-CB 4.3Å; L36-L130 HydrophobicContact CD1-CD1 3.99Å; L36-A180 HydrophobicContact CD1-CB 3.6Å |
| 37 | R | 91.5 | Very high | 91 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.7 | -46.2 | 178 | -170.2 | 66.4 | 172 | 96.2 | -11.8 | 111.8 | Y33 M39 H40 E41 E56 | Y33-R37 HydrophobicContact CD1-CB 4.47Å; Y33-R37 HydrophobicContact CE1-CB 4.38Å; Y33-R37 VanDerWaalsContact O-CB 3.27Å; Y33-R37 WeakPolarHBondContact O-CB 3.44Å; Y33-R37 PolarHBondContact O-N 3.29Å; R37-M39 VanDerWaalsContact C-N 3.3Å; R37-M39 PolarHBondContact O-N 3.09Å; R37-H40 PolarHBondContact O-N 2.72Å; R37-E41 IonicContact NH1-OE1 3.29Å; R37-E41 PolarHBondContact NH1-OE1 2.77Å; R37-E41 PolarHBondContact O-N 3.21Å; R37-E41 VanDerWaalsContact O-N 3.12Å; R37-E56 IonicContact CZ-OE1 3.21Å; R37-E56 IonicContact CZ-OE2 2.8Å; R37-E56 IonicContact NE-OE1 3.17Å; R37-E56 PolarHBondContact NE-OE1 3.32Å; R37-E56 IonicContact NE-OE2 3.68Å; R37-E56 IonicContact NH2-OE1 3.85Å; R37-E56 IonicContact NH2-OE2 3.66Å; R37-E56 PolarHBondContact NH2-OE2 3.36Å |
| 38 | S | 90.9 | Very high | 90.6 | Very high | 65 Ų | 65 | 49.7 Ų | 49.7 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -36.1 | 177.3 | 74.6 | 0 | 0 | 0 | 0 | 113 | L34 K35 L36 | L34-S38 PolarHBondContact O-N 2.83Å; K35-S38 PolarHBondContact O-N 3.3Å; K35-S38 PolarHBondContact O-OG 3.29Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.04Å |
| 39 | M | 86.3 | Confident | 90.4 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.7 | -39.9 | 177.4 | -68.8 | 178.5 | 64.8 | 0 | 0 | 111.2 | K35 L36 R37 E41 K42 Y43 Y183 H186 | K35-M39 WeakPolarHBondContact O-CG 3.08Å; K35-M39 PolarHBondContact O-N 3.43Å; L36-M39 CarbonylContact O-C 3.51Å; L36-M39 WeakPolarHBondContact O-CB 2.99Å; L36-M39 PolarHBondContact O-N 3.14Å; R37-M39 VanDerWaalsContact C-N 3.3Å; R37-M39 PolarHBondContact O-N 3.09Å; M39-E41 VanDerWaalsContact C-N 3.28Å; M39-E41 PolarHBondContact O-N 3.3Å; M39-K42 PolarHBondContact O-N 2.84Å; M39-K42 VanDerWaalsContact O-N 3.12Å; M39-Y43 HydrophobicContact CB-CD2 4.27Å; M39-Y43 WeakPolarHBondContact O-CB 3.25Å; M39-Y43 WeakPolarHBondContact O-CD2 3.33Å; M39-Y43 PolarHBondContact O-N 3.26Å; M39-Y183 WeakPolarHBondContact CE-O 3.27Å; M39-Y183 HydrophobicContact SD-CD2 3.92Å; M39-H186 HydrophobicContact CE-CB 3.72Å |
| 40 | H | 87.9 | Confident | 90.2 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | -180 | -66.9 | 175.2 | 0 | 0 | 0 | 110.7 | L36 R37 K42 Y43 A44 Y48 L49 L178 H186 | L36-H40 WeakPolarHBondContact O-CB 3.44Å; L36-H40 PolarHBondContact O-CD2 2.96Å; L36-H40 PolarHBondContact O-N 3.23Å; R37-H40 PolarHBondContact O-N 2.72Å; H40-K42 PolarHBondContact O-N 3.17Å; H40-Y43 PolarHBondContact O-N 3.15Å; H40-A44 HydrophobicContact CB-CB 3.59Å; H40-A44 VanDerWaalsContact O-CA 3.29Å; H40-A44 WeakPolarHBondContact O-CA 3.43Å; H40-A44 WeakPolarHBondContact O-CB 3.43Å; H40-A44 PolarHBondContact O-N 3.44Å; H40-Y48 HydrophobicContact CB-CE1 4.22Å; H40-Y48 AromaticContact CE1-CE1 3.9Å; H40-Y48 AromaticContact CE1-CZ 3.61Å; H40-Y48 PolarHBondContact CE1-OH 3.34Å; H40-Y48 AromaticContact CG-CE1 3.9Å; H40-Y48 AromaticContact ND1-CE1 3.27Å; H40-Y48 VanDerWaalsContact ND1-CE1 3.27Å; H40-Y48 WeakPolarHBondContact ND1-CE1 3.12Å; H40-Y48 AromaticContact ND1-CZ 3.45Å; H40-Y48 PolarHBondContact ND1-OH 3.07Å; H40-Y48 VanDerWaalsContact ND1-OH 3.16Å; H40-L49 HydrophobicContact CB-CD2 4.22Å; H40-L49 WeakPolarHBondContact O-CD2 3.39Å; H40-L178 HydrophobicContact CB-CD2 4.22Å; H40-L178 WeakPolarHBondContact CD2-CD2 3.37Å; H40-L178 WeakPolarHBondContact CE1-CD2 3.49Å; H40-L178 VanDerWaalsContact CG-CD2 3.45Å; H40-L178 VanDerWaalsContact NE2-CD2 3.33Å; H40-L178 WeakPolarHBondContact NE2-CD2 3.27Å; H40-H186 AromaticContact CD2-NE2 3.97Å; H40-H186 AromaticContact NE2-NE2 3.95Å |
| 41 | E | 88.3 | Confident | 90.1 | Very high | 126 Ų | 126 | 52.9 Ų | 52.9 | 59% | 0.589 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.9 | -38.5 | 174.7 | -73.8 | 170.6 | -169.4 | 0 | 0 | 113.3 | R37 M39 | R37-E41 IonicContact NH1-OE1 3.29Å; R37-E41 PolarHBondContact NH1-OE1 2.77Å; R37-E41 PolarHBondContact O-N 3.21Å; R37-E41 VanDerWaalsContact O-N 3.12Å; M39-E41 VanDerWaalsContact C-N 3.28Å; M39-E41 PolarHBondContact O-N 3.3Å |
| 42 | K | 85.7 | Confident | 90 | Very high | 150 Ų | 150 | 48.6 Ų | 48.6 | 65% | 0.652 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -83.9 | -37 | 179.9 | -174.3 | 171 | 176.7 | -171.6 | 0 | 112.9 | M39 H40 | M39-K42 PolarHBondContact O-N 2.84Å; M39-K42 VanDerWaalsContact O-N 3.12Å; H40-K42 PolarHBondContact O-N 3.17Å |
| 43 | Y | 82.5 | Confident | 90.1 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 18% | 0.18 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -119.9 | -11.1 | -164.7 | -56.9 | -66.2 | 0 | 0 | 0 | 113.8 | M39 H40 R177 H186 L190 | M39-Y43 HydrophobicContact CB-CD2 4.27Å; M39-Y43 WeakPolarHBondContact O-CB 3.25Å; M39-Y43 WeakPolarHBondContact O-CD2 3.33Å; M39-Y43 PolarHBondContact O-N 3.26Å; H40-Y43 PolarHBondContact O-N 3.15Å; Y43-R177 WeakPolarHBondContact O-CA 3.44Å; Y43-R177 WeakPolarHBondContact O-CB 3.47Å; Y43-R177 WeakPolarHBondContact O-CD 3.41Å; Y43-R177 WeakPolarHBondContact O-CG 3.35Å; Y43-R177 PolarHBondContact O-NE 3.22Å; Y43-H186 HydrophobicContact CD2-CB 4.38Å; Y43-H186 HydrophobicContact CG-CB 4.49Å; Y43-L190 HydrophobicContact CD1-CD1 3.5Å; Y43-L190 HydrophobicContact CE1-CD1 4.25Å; Y43-L190 HydrophobicContact CG-CD1 4.21Å |
| 44 | A | 83.2 | Confident | 90.1 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.2 | 148.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H40 Y48 L49 R177 L178 | H40-A44 HydrophobicContact CB-CB 3.59Å; H40-A44 VanDerWaalsContact O-CA 3.29Å; H40-A44 WeakPolarHBondContact O-CA 3.43Å; H40-A44 WeakPolarHBondContact O-CB 3.43Å; H40-A44 PolarHBondContact O-N 3.44Å; A44-Y48 HydrophobicContact CB-CD1 3.84Å; A44-Y48 HydrophobicContact CB-CE1 4.5Å; A44-Y48 HydrophobicContact CB-CG 4.41Å; A44-L49 HydrophobicContact CB-CD1 4.49Å; A44-L49 HydrophobicContact CB-CD2 3.86Å; A44-L49 HydrophobicContact CB-CG 3.85Å; A44-R177 WeakPolarHBondContact O-CD 3.32Å; A44-R177 PolarHBondContact O-NH1 2.81Å; A44-L178 HydrophobicContact CB-CD1 4.12Å; A44-L178 HydrophobicContact CB-CD2 3.47Å; A44-L178 VanDerWaalsContact CB-CD2 3.47Å; A44-L178 HydrophobicContact CB-CG 3.81Å |
| 45 | C | 84 | Confident | 90.2 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | trans | -70.7 | 155.9 | -178.7 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | Q47 Y48 L49 R177 | C45-Q47 PolarHBondContact O-N 2.8Å; C45-Y48 PolarHBondContact O-N 2.77Å; C45-Y48 VanDerWaalsContact O-N 3.15Å; C45-Y48 PolarHBondContact SG-N 2.73Å; C45-L49 PolarHBondContact O-N 3.47Å; C45-R177 HydrophobicContact CB-CB 4.38Å; C45-R177 HydrophobicContact CB-CG 4.44Å | ||
| 46 | K | 86.9 | Confident | 90.4 | Very high | 150 Ų | 150 | 47.9 Ų | 47.9 | 65% | 0.652 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -56.5 | -39.9 | -178 | -176.1 | 178.1 | 178.6 | -179.7 | 0 | 111.3 | Y48 L49 N50 | K46-Y48 PolarHBondContact O-N 3.11Å; K46-L49 PolarHBondContact O-N 2.71Å; K46-N50 WeakPolarHBondContact O-CB 3.46Å; K46-N50 PolarHBondContact O-N 3.46Å; K46-N50 PolarHBondContact O-OD1 2.72Å |
| 47 | Q | 88.1 | Confident | 90.6 | Very high | 60 Ų | 60 | 54 Ų | 54 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.4 | -50.2 | 178.1 | -67.3 | 82 | -14.2 | 0 | 0 | 111.2 | C45 N50 N51 | C45-Q47 PolarHBondContact O-N 2.8Å; Q47-N50 PolarHBondContact O-N 3.37Å; Q47-N51 WeakPolarHBondContact O-CB 3.31Å; Q47-N51 PolarHBondContact O-N 3.33Å; Q47-N51 PolarHBondContact O-ND2 2.79Å |
| 48 | Y | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 177.2 | 179.2 | -81.4 | 0 | 0 | 0 | 112.6 | H40 A44 C45 K46 N50 N51 L52 L130 P134 M135 L178 | H40-Y48 HydrophobicContact CB-CE1 4.22Å; H40-Y48 AromaticContact CE1-CE1 3.9Å; H40-Y48 AromaticContact CE1-CZ 3.61Å; H40-Y48 PolarHBondContact CE1-OH 3.34Å; H40-Y48 AromaticContact CG-CE1 3.9Å; H40-Y48 AromaticContact ND1-CE1 3.27Å; H40-Y48 VanDerWaalsContact ND1-CE1 3.27Å; H40-Y48 WeakPolarHBondContact ND1-CE1 3.12Å; H40-Y48 AromaticContact ND1-CZ 3.45Å; H40-Y48 PolarHBondContact ND1-OH 3.07Å; H40-Y48 VanDerWaalsContact ND1-OH 3.16Å; A44-Y48 HydrophobicContact CB-CD1 3.84Å; A44-Y48 HydrophobicContact CB-CE1 4.5Å; A44-Y48 HydrophobicContact CB-CG 4.41Å; C45-Y48 PolarHBondContact O-N 2.77Å; C45-Y48 VanDerWaalsContact O-N 3.15Å; C45-Y48 PolarHBondContact SG-N 2.73Å; K46-Y48 PolarHBondContact O-N 3.11Å; Y48-N50 VanDerWaalsContact C-N 3.27Å; Y48-N50 PolarHBondContact O-N 2.69Å; Y48-N51 PolarHBondContact O-N 3.32Å; Y48-L52 HydrophobicContact CD1-CB 4.15Å; Y48-L52 HydrophobicContact CE1-CB 3.79Å; Y48-L52 HydrophobicContact CE1-CD2 3.55Å; Y48-L52 HydrophobicContact CE1-CG 4.21Å; Y48-L52 WeakPolarHBondContact O-CB 3.35Å; Y48-L52 PolarHBondContact O-N 3.3Å; Y48-L130 WeakPolarHBondContact CE2-O 3.43Å; Y48-L130 PolarHBondContact OH-O 3.02Å; Y48-P134 HydrophobicContact CD2-CB 3.47Å; Y48-P134 VanDerWaalsContact CD2-CB 3.47Å; Y48-P134 HydrophobicContact CD2-CG 3.98Å; Y48-P134 HydrophobicContact CE2-CB 3.44Å; Y48-P134 VanDerWaalsContact CE2-CB 3.44Å; Y48-P134 HydrophobicContact CE2-CG 3.38Å; Y48-P134 HydrophobicContact CG-CB 4.16Å; Y48-M135 HydrophobicContact CD2-CG 4.33Å; Y48-M135 HydrophobicContact CD2-SD 3.52Å; Y48-M135 VanDerWaalsContact CD2-SD 3.52Å; Y48-M135 HydrophobicContact CG-SD 4.08Å; Y48-L178 HydrophobicContact CD1-CD1 3.88Å; Y48-L178 HydrophobicContact CD1-CD2 3.29Å; Y48-L178 HydrophobicContact CD1-CG 4.02Å; Y48-L178 HydrophobicContact CD2-CB 4.19Å; Y48-L178 HydrophobicContact CD2-CD1 3.12Å; Y48-L178 HydrophobicContact CD2-CD2 3.43Å; Y48-L178 VanDerWaalsContact CD2-CD2 3.43Å; Y48-L178 HydrophobicContact CD2-CG 3.58Å; Y48-L178 HydrophobicContact CE1-CD2 3.23Å; Y48-L178 HydrophobicContact CE1-CG 4.35Å; Y48-L178 HydrophobicContact CE2-CB 4.24Å; Y48-L178 HydrophobicContact CE2-CD1 3.93Å; Y48-L178 HydrophobicContact CE2-CD2 3.32Å; Y48-L178 HydrophobicContact CE2-CG 3.88Å; Y48-L178 HydrophobicContact CG-CD1 3.07Å; Y48-L178 HydrophobicContact CG-CD2 3.41Å; Y48-L178 VanDerWaalsContact CG-CD2 3.41Å; Y48-L178 HydrophobicContact CG-CG 3.64Å |
| 49 | L | 92.3 | Very high | 90.9 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | -178.7 | -73.5 | 176.5 | 0 | 0 | 0 | 111 | H40 A44 C45 K46 S53 | H40-L49 HydrophobicContact CB-CD2 4.22Å; H40-L49 WeakPolarHBondContact O-CD2 3.39Å; A44-L49 HydrophobicContact CB-CD1 4.49Å; A44-L49 HydrophobicContact CB-CD2 3.86Å; A44-L49 HydrophobicContact CB-CG 3.85Å; C45-L49 PolarHBondContact O-N 3.47Å; K46-L49 PolarHBondContact O-N 2.71Å; L49-S53 WeakPolarHBondContact O-CB 3.22Å; L49-S53 PolarHBondContact O-N 3.09Å |
| 50 | N | 93.8 | Very high | 91.2 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.5 | -49.7 | 174.3 | -68.3 | -4.7 | 0 | 0 | 0 | 111 | K46 Q47 Y48 L52 S53 V54 | K46-N50 WeakPolarHBondContact O-CB 3.46Å; K46-N50 PolarHBondContact O-N 3.46Å; K46-N50 PolarHBondContact O-OD1 2.72Å; Q47-N50 PolarHBondContact O-N 3.37Å; Y48-N50 VanDerWaalsContact C-N 3.27Å; Y48-N50 PolarHBondContact O-N 2.69Å; N50-L52 PolarHBondContact O-N 3.17Å; N50-S53 WeakPolarHBondContact O-CB 3.42Å; N50-S53 PolarHBondContact O-N 2.98Å; N50-V54 WeakPolarHBondContact O-CG2 3.14Å; N50-V54 PolarHBondContact O-N 3.2Å |
| 51 | N | 94.8 | Very high | 91.6 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -36.3 | -176.8 | -69.4 | -12.5 | 0 | 0 | 0 | 113.1 | Q47 Y48 S53 V54 L55 P134 A137 D138 | Q47-N51 WeakPolarHBondContact O-CB 3.31Å; Q47-N51 PolarHBondContact O-N 3.33Å; Q47-N51 PolarHBondContact O-ND2 2.79Å; Y48-N51 PolarHBondContact O-N 3.32Å; N51-S53 VanDerWaalsContact C-N 3.34Å; N51-V54 PolarHBondContact O-N 2.83Å; N51-L55 WeakPolarHBondContact O-CB 3.31Å; N51-L55 VanDerWaalsContact O-CG 3.28Å; N51-L55 WeakPolarHBondContact O-CG 3.4Å; N51-L55 PolarHBondContact O-N 3.31Å; N51-P134 HydrophobicContact CB-CB 4.25Å; N51-P134 WeakPolarHBondContact CB-O 3.48Å; N51-P134 PolarHBondContact ND2-O 2.79Å; N51-A137 HydrophobicContact CB-CB 4.07Å; N51-D138 PolarHBondContact ND2-N 2.87Å |
| 52 | L | 95.1 | Very high | 92 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 173.6 | -179.4 | 61.8 | 0 | 0 | 0 | 110.3 | Y48 N50 V54 L55 E56 F61 P134 | Y48-L52 HydrophobicContact CD1-CB 4.15Å; Y48-L52 HydrophobicContact CE1-CB 3.79Å; Y48-L52 HydrophobicContact CE1-CD2 3.55Å; Y48-L52 HydrophobicContact CE1-CG 4.21Å; Y48-L52 WeakPolarHBondContact O-CB 3.35Å; Y48-L52 PolarHBondContact O-N 3.3Å; N50-L52 PolarHBondContact O-N 3.17Å; L52-V54 VanDerWaalsContact C-N 3.29Å; L52-V54 PolarHBondContact O-N 3.48Å; L52-L55 WeakPolarHBondContact O-CB 3.46Å; L52-L55 PolarHBondContact O-N 2.92Å; L52-E56 WeakPolarHBondContact O-CG 3.28Å; L52-E56 PolarHBondContact O-N 3.42Å; L52-F61 HydrophobicContact CD1-CD1 3.92Å; L52-F61 HydrophobicContact CD1-CE1 4.5Å; L52-P134 HydrophobicContact CB-CB 4.5Å; L52-P134 HydrophobicContact CD1-CG 4.41Å |
| 53 | S | 95.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 42% | 0.42 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 175.3 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | L49 N50 N51 E56 E57 | L49-S53 WeakPolarHBondContact O-CB 3.22Å; L49-S53 PolarHBondContact O-N 3.09Å; N50-S53 WeakPolarHBondContact O-CB 3.42Å; N50-S53 PolarHBondContact O-N 2.98Å; N51-S53 VanDerWaalsContact C-N 3.34Å; S53-E56 PolarHBondContact O-N 3.33Å; S53-E57 PolarHBondContact O-N 3.24Å; S53-E57 VanDerWaalsContact O-N 3.15Å |
| 54 | V | 96.1 | Very high | 93.2 | Very high | 40 Ų | 40 | 50 Ų | 50 | 24% | 0.242 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.8 | -36.6 | 176 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | N50 N51 L52 E57 K58 F75 | N50-V54 WeakPolarHBondContact O-CG2 3.14Å; N50-V54 PolarHBondContact O-N 3.2Å; N51-V54 PolarHBondContact O-N 2.83Å; L52-V54 VanDerWaalsContact C-N 3.29Å; L52-V54 PolarHBondContact O-N 3.48Å; V54-E57 PolarHBondContact O-N 2.81Å; V54-K58 HydrophobicContact CG1-CD 4Å; V54-K58 HydrophobicContact CG1-CG 4.42Å; V54-K58 WeakPolarHBondContact O-CB 3.47Å; V54-K58 PolarHBondContact O-N 3.01Å; V54-F75 HydrophobicContact CG1-CE2 3.78Å; V54-F75 HydrophobicContact CG1-CZ 3.68Å |
| 55 | L | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 174.5 | -74.3 | 162.6 | 0 | 0 | 0 | 111.9 | N51 L52 E57 A59 N60 F61 F75 V133 P134 | N51-L55 WeakPolarHBondContact O-CB 3.31Å; N51-L55 VanDerWaalsContact O-CG 3.28Å; N51-L55 WeakPolarHBondContact O-CG 3.4Å; N51-L55 PolarHBondContact O-N 3.31Å; L52-L55 WeakPolarHBondContact O-CB 3.46Å; L52-L55 PolarHBondContact O-N 2.92Å; L55-E57 VanDerWaalsContact C-N 3.28Å; L55-E57 PolarHBondContact O-N 2.88Å; L55-A59 HydrophobicContact CB-CB 4.4Å; L55-A59 HydrophobicContact CD2-CB 3.58Å; L55-A59 CarbonylContact O-C 3.03Å; L55-A59 WeakPolarHBondContact O-CA 3.39Å; L55-A59 PolarHBondContact O-N 2.6Å; L55-N60 PolarHBondContact O-N 2.96Å; L55-F61 HydrophobicContact CB-CB 4.26Å; L55-F61 HydrophobicContact CB-CD1 4.3Å; L55-F61 HydrophobicContact CB-CD2 3.89Å; L55-F61 HydrophobicContact CB-CE2 4.3Å; L55-F61 HydrophobicContact CB-CG 3.9Å; L55-F61 HydrophobicContact CD1-CE1 4.37Å; L55-F61 HydrophobicContact CD1-CZ 4.31Å; L55-F61 HydrophobicContact CD2-CD2 4.31Å; L55-F61 HydrophobicContact CD2-CE2 3.99Å; L55-F61 HydrophobicContact CD2-CZ 4.43Å; L55-F61 PolarHBondContact O-N 3.33Å; L55-F75 HydrophobicContact CD2-CD1 3.39Å; L55-F75 HydrophobicContact CD2-CE1 3.27Å; L55-F75 HydrophobicContact CD2-CG 4.27Å; L55-F75 HydrophobicContact CD2-CZ 4.07Å; L55-F75 HydrophobicContact CG-CD1 4.47Å; L55-F75 HydrophobicContact CG-CE1 3.89Å; L55-F75 HydrophobicContact CG-CZ 4.37Å; L55-V133 HydrophobicContact CD1-CG1 3.87Å; L55-V133 HydrophobicContact CD2-CG1 3.91Å; L55-P134 HydrophobicContact CD1-CB 3.74Å; L55-P134 HydrophobicContact CD1-CG 3.62Å |
| 56 | E | 96.5 | Very high | 94.5 | Very high | 60 Ų | 60 | 53.7 Ų | 53.7 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 173.2 | -74.4 | 172.1 | 154.2 | 0 | 0 | 110.5 | Y33 R37 L52 S53 F61 | Y33-E56 VanDerWaalsContact OH-CD 3.3Å; Y33-E56 WeakPolarHBondContact OH-CG 3.3Å; Y33-E56 PolarHBondContact OH-OE1 3.48Å; R37-E56 IonicContact CZ-OE1 3.21Å; R37-E56 IonicContact CZ-OE2 2.8Å; R37-E56 IonicContact NE-OE1 3.17Å; R37-E56 PolarHBondContact NE-OE1 3.32Å; R37-E56 IonicContact NE-OE2 3.68Å; R37-E56 IonicContact NH2-OE1 3.85Å; R37-E56 IonicContact NH2-OE2 3.66Å; R37-E56 PolarHBondContact NH2-OE2 3.36Å; L52-E56 WeakPolarHBondContact O-CG 3.28Å; L52-E56 PolarHBondContact O-N 3.42Å; S53-E56 PolarHBondContact O-N 3.33Å; E56-F61 WeakPolarHBondContact CA-O 3.3Å; E56-F61 HydrophobicContact CG-CB 4.07Å |
| 57 | E | 95.4 | Very high | 95 | Very high | 140 Ų | 140 | 46.7 Ų | 46.7 | 65% | 0.654 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -76.1 | -42.7 | 179.2 | -173 | -163.8 | 150.9 | 0 | 0 | 113.6 | S53 V54 L55 | S53-E57 PolarHBondContact O-N 3.24Å; S53-E57 VanDerWaalsContact O-N 3.15Å; V54-E57 PolarHBondContact O-N 2.81Å; L55-E57 VanDerWaalsContact C-N 3.28Å; L55-E57 PolarHBondContact O-N 2.88Å |
| 58 | K | 95 | Very high | 95.5 | Very high | 123 Ų | 123 | 45.5 Ų | 45.5 | 54% | 0.535 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -119 | -12 | -162.1 | -58.6 | -173.5 | -175.6 | 177.5 | 0 | 115.5 | V54 F75 | V54-K58 HydrophobicContact CG1-CD 4Å; V54-K58 HydrophobicContact CG1-CG 4.42Å; V54-K58 WeakPolarHBondContact O-CB 3.47Å; V54-K58 PolarHBondContact O-N 3.01Å; K58-F75 HydrophobicContact CB-CD2 4.1Å; K58-F75 HydrophobicContact CB-CE2 3.98Å |
| 59 | A | 93.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -129 | 22.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L55 F61 F75 | L55-A59 HydrophobicContact CB-CB 4.4Å; L55-A59 HydrophobicContact CD2-CB 3.58Å; L55-A59 CarbonylContact O-C 3.03Å; L55-A59 WeakPolarHBondContact O-CA 3.39Å; L55-A59 PolarHBondContact O-N 2.6Å; A59-F61 VanDerWaalsContact C-N 3.27Å; A59-F61 HydrophobicContact CB-CD2 4.3Å; A59-F61 WeakPolarHBondContact O-CD2 3.34Å; A59-F61 PolarHBondContact O-N 3.48Å; A59-F75 HydrophobicContact CB-CB 3.94Å; A59-F75 HydrophobicContact CB-CD1 4.18Å; A59-F75 HydrophobicContact CB-CD2 4.18Å; A59-F75 HydrophobicContact CB-CG 3.82Å |
| 60 | N | 92.1 | Very high | 96 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 46% | 0.46 | 23% | 0.232 | S | C | . | . | trans | 59.6 | 33.2 | 174 | -66.2 | -23.5 | 0 | 0 | 0 | 113.5 | L55 S62 F65 | L55-N60 PolarHBondContact O-N 2.96Å; N60-S62 PolarHBondContact O-N 2.79Å; N60-F65 HydrophobicContact CB-CE2 3.97Å; N60-F65 HydrophobicContact CB-CZ 4.46Å; N60-F65 WeakPolarHBondContact O-CE2 3.39Å | ||
| 61 | F | 97 | Very high | 96.2 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | trans | -77.9 | 119.8 | 169.8 | -84.5 | -127 | 0 | 0 | 0 | 109.6 | W29 Y33 L52 L55 E56 A59 P67 V72 L129 L130 V133 | W29-F61 HydrophobicContact CH2-CD1 4.48Å; W29-F61 HydrophobicContact CH2-CE1 4.48Å; Y33-F61 HydrophobicContact CE2-CD1 4.42Å; L52-F61 HydrophobicContact CD1-CD1 3.92Å; L52-F61 HydrophobicContact CD1-CE1 4.5Å; L55-F61 HydrophobicContact CB-CB 4.26Å; L55-F61 HydrophobicContact CB-CD1 4.3Å; L55-F61 HydrophobicContact CB-CD2 3.89Å; L55-F61 HydrophobicContact CB-CE2 4.3Å; L55-F61 HydrophobicContact CB-CG 3.9Å; L55-F61 HydrophobicContact CD1-CE1 4.37Å; L55-F61 HydrophobicContact CD1-CZ 4.31Å; L55-F61 HydrophobicContact CD2-CD2 4.31Å; L55-F61 HydrophobicContact CD2-CE2 3.99Å; L55-F61 HydrophobicContact CD2-CZ 4.43Å; L55-F61 PolarHBondContact O-N 3.33Å; E56-F61 WeakPolarHBondContact CA-O 3.3Å; E56-F61 HydrophobicContact CG-CB 4.07Å; A59-F61 VanDerWaalsContact C-N 3.27Å; A59-F61 HydrophobicContact CB-CD2 4.3Å; A59-F61 WeakPolarHBondContact O-CD2 3.34Å; A59-F61 PolarHBondContact O-N 3.48Å; F61-P67 HydrophobicContact CD1-CG 4.47Å; F61-P67 HydrophobicContact CD2-CB 4.1Å; F61-P67 HydrophobicContact CD2-CG 3.64Å; F61-P67 HydrophobicContact CE2-CB 3.98Å; F61-P67 HydrophobicContact CE2-CG 3.8Å; F61-P67 HydrophobicContact CG-CG 4Å; F61-P67 HydrophobicContact CZ-CG 4.29Å; F61-V72 HydrophobicContact CE2-CG1 4.34Å; F61-V72 HydrophobicContact CE2-CG2 3.72Å; F61-L129 HydrophobicContact CE1-CB 4.24Å; F61-L129 VanDerWaalsContact CE1-O 3.26Å; F61-L129 WeakPolarHBondContact CE1-O 3.46Å; F61-L129 HydrophobicContact CZ-CB 4.05Å; F61-L129 HydrophobicContact CZ-CD2 4.13Å; F61-L130 HydrophobicContact CD1-CD2 4.1Å; F61-L130 HydrophobicContact CE1-CD2 4.03Å; F61-V133 HydrophobicContact CZ-CB 4.47Å; F61-V133 HydrophobicContact CZ-CG1 3.99Å | ||
| 62 | S | 96.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -152.2 | 160.7 | 174.7 | 83.7 | 0 | 0 | 0 | 0 | 109.6 | W29 N60 D64 F65 | W29-S62 PolarHBondContact NE1-O 3.28Å; N60-S62 PolarHBondContact O-N 2.79Å; S62-D64 PolarHBondContact O-N 3.26Å; S62-D64 PolarHBondContact OG-N 2.87Å; S62-F65 WeakPolarHBondContact OG-CD1 3.21Å; S62-F65 WeakPolarHBondContact OG-CE1 3.26Å; S62-F65 VanDerWaalsContact OG-CZ 3.31Å; S62-F65 WeakPolarHBondContact OG-CZ 3.36Å |
| 63 | P | 97.3 | Very high | 96.5 | Very high | 33 Ų | 33 | 43 Ų | 43 | 21% | 0.214 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16 | 173.7 | 27.4 | -35 | 0 | 0 | 0 | 113.8 | K30 Y33 L34 | K30-P63 VanDerWaalsContact CA-O 3.27Å; K30-P63 WeakPolarHBondContact CA-O 3.41Å; K30-P63 WeakPolarHBondContact CB-O 3.45Å; K30-P63 HydrophobicContact CG-CB 4.22Å; K30-P63 WeakPolarHBondContact CG-O 3.33Å; Y33-P63 HydrophobicContact CD1-CB 3.82Å; Y33-P63 HydrophobicContact CE1-CB 4.42Å; Y33-P63 HydrophobicContact CG-CB 4.28Å; L34-P63 HydrophobicContact CD2-CB 3.89Å; L34-P63 HydrophobicContact CD2-CG 4.26Å; L34-P63 HydrophobicContact CG-CB 4.09Å |
| 64 | D | 96 | Very high | 96.5 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 50% | 0.503 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -19.1 | -166.8 | -65.4 | -44.2 | 0 | 0 | 0 | 114.2 | K30 S62 | K30-D64 IonicContact NZ-OD1 3.75Å; K30-D64 PolarHBondContact NZ-OD1 3.45Å; S62-D64 PolarHBondContact O-N 3.26Å; S62-D64 PolarHBondContact OG-N 2.87Å |
| 65 | F | 95.7 | Very high | 96.6 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 40% | 0.399 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -153 | 149.8 | 179.8 | 52.6 | -94.7 | 0 | 0 | 0 | 111.6 | W29 N60 S62 P67 | W29-F65 PolarHBondContact NE1-O 2.96Å; W29-F65 VanDerWaalsContact NE1-O 3.09Å; N60-F65 HydrophobicContact CB-CE2 3.97Å; N60-F65 HydrophobicContact CB-CZ 4.46Å; N60-F65 WeakPolarHBondContact O-CE2 3.39Å; S62-F65 WeakPolarHBondContact OG-CD1 3.21Å; S62-F65 WeakPolarHBondContact OG-CE1 3.26Å; S62-F65 VanDerWaalsContact OG-CZ 3.31Å; S62-F65 WeakPolarHBondContact OG-CZ 3.36Å; F65-P67 WeakPolarHBondContact O-CD 3.34Å |
| 66 | I | 97.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 125 | 176 | -61.9 | 160.5 | 0 | 0 | 0 | 109.5 | Y21 E25 N26 W29 V111 L129 | Y21-I66 HydrophobicContact CD1-CD1 3.55Å; Y21-I66 HydrophobicContact CD2-CB 3.71Å; Y21-I66 HydrophobicContact CD2-CD1 4.06Å; Y21-I66 HydrophobicContact CD2-CG1 4.46Å; Y21-I66 HydrophobicContact CD2-CG2 4.05Å; Y21-I66 HydrophobicContact CE1-CD1 3.96Å; Y21-I66 HydrophobicContact CE1-CG2 4.2Å; Y21-I66 HydrophobicContact CE2-CB 3.7Å; Y21-I66 HydrophobicContact CE2-CD1 4.43Å; Y21-I66 HydrophobicContact CE2-CG2 3.5Å; Y21-I66 VanDerWaalsContact CE2-CG2 3.5Å; Y21-I66 HydrophobicContact CG-CB 4.17Å; Y21-I66 HydrophobicContact CG-CD1 3.6Å; Y21-I66 HydrophobicContact CG-CG1 4.45Å; E25-I66 HydrophobicContact CB-CD1 4.17Å; N26-I66 PolarHBondContact OD1-N 2.94Å; W29-I66 HydrophobicContact CB-CD1 4Å; W29-I66 HydrophobicContact CB-CG1 3.43Å; W29-I66 VanDerWaalsContact CB-CG1 3.43Å; W29-I66 HydrophobicContact CD2-CG1 3.87Å; W29-I66 HydrophobicContact CE3-CG1 4.15Å; W29-I66 HydrophobicContact CG-CG1 3.55Å; I66-V111 HydrophobicContact CD1-CG2 3.59Å; I66-L129 HydrophobicContact CG2-CD1 4.07Å |
| 67 | P | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 142.7 | 174.9 | -24.4 | 32.3 | 0 | 0 | 0 | 112.9 | W29 F61 F65 V72 L129 | W29-P67 HydrophobicContact CH2-CG 4.01Å; W29-P67 HydrophobicContact CZ2-CG 3.98Å; F61-P67 HydrophobicContact CD1-CG 4.47Å; F61-P67 HydrophobicContact CD2-CB 4.1Å; F61-P67 HydrophobicContact CD2-CG 3.64Å; F61-P67 HydrophobicContact CE2-CB 3.98Å; F61-P67 HydrophobicContact CE2-CG 3.8Å; F61-P67 HydrophobicContact CG-CG 4Å; F61-P67 HydrophobicContact CZ-CG 4.29Å; F65-P67 WeakPolarHBondContact O-CD 3.34Å; P67-V72 HydrophobicContact CB-CG2 3.84Å; P67-L129 HydrophobicContact CB-CD1 4.38Å; P67-L129 HydrophobicContact CG-CD1 4.41Å |
| 68 | Q | 97.7 | Very high | 96.7 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 134.1 | 174.4 | -63.6 | -63.6 | -34.9 | 0 | 0 | 110.4 | T18 V19 E70 D71 V72 | T18-Q68 HydrophobicContact CG2-CG 4.09Å; V19-Q68 PolarHBondContact O-NE2 2.72Å; Q68-E70 PolarHBondContact O-N 2.83Å; Q68-E70 VanDerWaalsContact O-N 3.17Å; Q68-D71 PolarHBondContact O-N 3.41Å; Q68-D71 VanDerWaalsContact O-N 3.15Å; Q68-V72 WeakPolarHBondContact O-CG2 3.27Å; Q68-V72 PolarHBondContact O-N 3.38Å |
| 69 | L | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -32.5 | -176.1 | -64.6 | -163.2 | 0 | 0 | 0 | 113.3 | I16 V72 S73 L84 C107 Q109 L129 | I16-L69 HydrophobicContact CD1-CB 3.98Å; I16-L69 HydrophobicContact CG2-CB 3.89Å; I16-L69 HydrophobicContact CG2-CD1 4.48Å; L69-V72 PolarHBondContact O-N 2.91Å; L69-S73 WeakPolarHBondContact O-CB 3.44Å; L69-S73 PolarHBondContact O-N 2.9Å; L69-L84 HydrophobicContact CB-CD1 4.35Å; L69-L84 HydrophobicContact CD2-CD1 4.03Å; L69-C107 HydrophobicContact CD1-CB 3.99Å; L69-C107 VanDerWaalsContact CD2-SG 3.56Å; L69-Q109 HydrophobicContact CD1-CG 3.31Å; L69-Q109 HydrophobicContact CG-CG 3.82Å; L69-L129 HydrophobicContact CD2-CD2 3.86Å; L69-L129 HydrophobicContact CD2-CG 4.45Å |
| 70 | E | 97.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 15% | 0.15 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.8 | 179.2 | 61.2 | -167.5 | 0 | 0 | 111.8 | I16 Q68 S73 R74 | I16-E70 HydrophobicContact CB-CB 4.12Å; I16-E70 PolarHBondContact N-OE2 3.49Å; Q68-E70 PolarHBondContact O-N 2.83Å; Q68-E70 VanDerWaalsContact O-N 3.17Å; E70-S73 PolarHBondContact O-N 3.47Å; E70-R74 WeakPolarHBondContact O-CG 3.2Å; E70-R74 PolarHBondContact O-N 2.89Å; E70-R74 IonicContact OE1-CZ 3.37Å; E70-R74 IonicContact OE1-NE 3.34Å; E70-R74 PolarHBondContact OE1-NE 3.48Å; E70-R74 IonicContact OE1-NH2 2.63Å; E70-R74 PolarHBondContact OE1-NH2 3.15Å |
| 71 | D | 97 | Very high | 97.1 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 33% | 0.326 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.2 | -43.4 | -180 | -62.2 | -30.5 | 0 | 0 | 0 | 110.7 | Q68 R74 F75 | Q68-D71 PolarHBondContact O-N 3.41Å; Q68-D71 VanDerWaalsContact O-N 3.15Å; D71-R74 PolarHBondContact O-N 3.08Å; D71-F75 PolarHBondContact O-N 3.2Å |
| 72 | V | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | F61 P67 Q68 L69 F75 L76 L84 L129 V133 | F61-V72 HydrophobicContact CE2-CG1 4.34Å; F61-V72 HydrophobicContact CE2-CG2 3.72Å; P67-V72 HydrophobicContact CB-CG2 3.84Å; Q68-V72 WeakPolarHBondContact O-CG2 3.27Å; Q68-V72 PolarHBondContact O-N 3.38Å; L69-V72 PolarHBondContact O-N 2.91Å; V72-F75 PolarHBondContact O-N 3.31Å; V72-L76 HydrophobicContact CG1-CD1 4.33Å; V72-L76 HydrophobicContact CG1-CG 4.48Å; V72-L76 WeakPolarHBondContact O-CG 3.13Å; V72-L76 PolarHBondContact O-N 2.95Å; V72-L84 HydrophobicContact CB-CD1 3.93Å; V72-L84 HydrophobicContact CG1-CD1 3.77Å; V72-L129 HydrophobicContact CG1-CD2 4.39Å; V72-L129 HydrophobicContact CG2-CD2 4.16Å; V72-V133 HydrophobicContact CG1-CB 4.38Å; V72-V133 HydrophobicContact CG1-CG1 3.44Å; V72-V133 VanDerWaalsContact CG1-CG1 3.44Å; V72-V133 HydrophobicContact CG1-CG2 4.01Å |
| 73 | S | 98 | Very high | 97.2 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | L69 E70 L76 K77 L84 | L69-S73 WeakPolarHBondContact O-CB 3.44Å; L69-S73 PolarHBondContact O-N 2.9Å; E70-S73 PolarHBondContact O-N 3.47Å; S73-L76 PolarHBondContact O-N 3.1Å; S73-K77 WeakPolarHBondContact O-CB 3.49Å; S73-K77 PolarHBondContact O-N 3.29Å; S73-L84 PolarHBondContact OG-N 3.33Å |
| 74 | R | 97.1 | Very high | 97.2 | Very high | 139 Ų | 139 | 40.8 Ų | 40.8 | 53% | 0.525 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 174.2 | -72.6 | 176.4 | -170.1 | 167.8 | 5.5 | 111.4 | E70 D71 K77 T78 | E70-R74 WeakPolarHBondContact O-CG 3.2Å; E70-R74 PolarHBondContact O-N 2.89Å; E70-R74 IonicContact OE1-CZ 3.37Å; E70-R74 IonicContact OE1-NE 3.34Å; E70-R74 PolarHBondContact OE1-NE 3.48Å; E70-R74 IonicContact OE1-NH2 2.63Å; E70-R74 PolarHBondContact OE1-NH2 3.15Å; D71-R74 PolarHBondContact O-N 3.08Å; R74-K77 WeakPolarHBondContact O-CB 3.38Å; R74-K77 PolarHBondContact O-N 3.42Å; R74-T78 WeakPolarHBondContact O-CG2 3.26Å; R74-T78 PolarHBondContact O-N 3.42Å |
| 75 | F | 97.5 | Very high | 97.2 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -54.7 | 176.2 | 170.7 | -95.6 | 0 | 0 | 0 | 111.4 | V54 L55 K58 A59 D71 V72 K77 T78 Q79 A137 | V54-F75 HydrophobicContact CG1-CE2 3.78Å; V54-F75 HydrophobicContact CG1-CZ 3.68Å; L55-F75 HydrophobicContact CD2-CD1 3.39Å; L55-F75 HydrophobicContact CD2-CE1 3.27Å; L55-F75 HydrophobicContact CD2-CG 4.27Å; L55-F75 HydrophobicContact CD2-CZ 4.07Å; L55-F75 HydrophobicContact CG-CD1 4.47Å; L55-F75 HydrophobicContact CG-CE1 3.89Å; L55-F75 HydrophobicContact CG-CZ 4.37Å; K58-F75 HydrophobicContact CB-CD2 4.1Å; K58-F75 HydrophobicContact CB-CE2 3.98Å; A59-F75 HydrophobicContact CB-CB 3.94Å; A59-F75 HydrophobicContact CB-CD1 4.18Å; A59-F75 HydrophobicContact CB-CD2 4.18Å; A59-F75 HydrophobicContact CB-CG 3.82Å; D71-F75 PolarHBondContact O-N 3.2Å; V72-F75 PolarHBondContact O-N 3.31Å; F75-K77 PolarHBondContact O-N 3.1Å; F75-T78 PolarHBondContact O-N 3.01Å; F75-T78 PolarHBondContact O-OG1 2.91Å; F75-Q79 HydrophobicContact CD1-CG 4.22Å; F75-Q79 HydrophobicContact CD2-CG 4.26Å; F75-Q79 HydrophobicContact CE1-CG 3.7Å; F75-Q79 HydrophobicContact CE2-CG 3.74Å; F75-Q79 HydrophobicContact CG-CG 4.48Å; F75-Q79 HydrophobicContact CZ-CG 3.44Å; F75-Q79 VanDerWaalsContact CZ-CG 3.44Å; F75-Q79 WeakPolarHBondContact O-CG 3.35Å; F75-Q79 PolarHBondContact O-N 3.46Å; F75-Q79 VanDerWaalsContact O-N 3.16Å; F75-A137 HydrophobicContact CE1-CB 4.12Å |
| 76 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.7 | -36.6 | 179.5 | -72.2 | 176.4 | 0 | 0 | 0 | 112.1 | V72 S73 T78 Q79 T80 G81 F82 L84 V133 L136 A137 | V72-L76 HydrophobicContact CG1-CD1 4.33Å; V72-L76 HydrophobicContact CG1-CG 4.48Å; V72-L76 WeakPolarHBondContact O-CG 3.13Å; V72-L76 PolarHBondContact O-N 2.95Å; S73-L76 PolarHBondContact O-N 3.1Å; L76-T78 VanDerWaalsContact C-N 3.26Å; L76-T78 PolarHBondContact O-N 3.02Å; L76-Q79 PolarHBondContact O-N 2.78Å; L76-Q79 VanDerWaalsContact O-N 3.13Å; L76-T80 PolarHBondContact O-N 3.12Å; L76-T80 PolarHBondContact O-OG1 2.9Å; L76-G81 PolarHBondContact O-N 3.14Å; L76-F82 CarbonylContact C-O 3.37Å; L76-F82 HydrophobicContact CB-CB 4.2Å; L76-F82 WeakPolarHBondContact CB-O 3.38Å; L76-L84 HydrophobicContact CD1-CD2 3.7Å; L76-L84 HydrophobicContact CD1-CG 4.11Å; L76-V133 HydrophobicContact CD1-CG1 4.27Å; L76-V133 HydrophobicContact CD1-CG2 4.44Å; L76-V133 HydrophobicContact CD2-CG1 4.34Å; L76-V133 HydrophobicContact CG-CG1 4.48Å; L76-L136 HydrophobicContact CD1-CB 4.41Å; L76-L136 HydrophobicContact CD2-CB 4.05Å; L76-A137 HydrophobicContact CD2-CB 4.06Å |
| 77 | K | 96.7 | Very high | 97.2 | Very high | 95 Ų | 95 | 36.5 Ų | 36.5 | 41% | 0.413 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.3 | -37.7 | 178 | -167.9 | 175.9 | -170.8 | 156.6 | 0 | 111.5 | S73 R74 F75 G81 F82 Q83 | S73-K77 WeakPolarHBondContact O-CB 3.49Å; S73-K77 PolarHBondContact O-N 3.29Å; R74-K77 WeakPolarHBondContact O-CB 3.38Å; R74-K77 PolarHBondContact O-N 3.42Å; F75-K77 PolarHBondContact O-N 3.1Å; K77-G81 WeakPolarHBondContact O-CA 3.34Å; K77-G81 PolarHBondContact O-N 3.16Å; K77-F82 WeakPolarHBondContact CA-O 3.35Å; K77-F82 PolarHBondContact N-O 2.77Å; K77-Q83 HydrophobicContact CB-CG 4.03Å; K77-Q83 HydrophobicContact CD-CG 4.01Å; K77-Q83 HydrophobicContact CG-CG 4.05Å |
| 78 | T | 96.1 | Very high | 96.9 | Very high | 103 Ų | 103 | 40.1 Ų | 40.1 | 63% | 0.632 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -73.6 | -30.4 | 176.4 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | R74 F75 L76 | R74-T78 WeakPolarHBondContact O-CG2 3.26Å; R74-T78 PolarHBondContact O-N 3.42Å; F75-T78 PolarHBondContact O-N 3.01Å; F75-T78 PolarHBondContact O-OG1 2.91Å; L76-T78 VanDerWaalsContact C-N 3.26Å; L76-T78 PolarHBondContact O-N 3.02Å |
| 79 | Q | 96.3 | Very high | 96.5 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -85.1 | -48.9 | -175.8 | -61.7 | -49.9 | -66.9 | 0 | 0 | 112.5 | F75 L76 | F75-Q79 HydrophobicContact CD1-CG 4.22Å; F75-Q79 HydrophobicContact CD2-CG 4.26Å; F75-Q79 HydrophobicContact CE1-CG 3.7Å; F75-Q79 HydrophobicContact CE2-CG 3.74Å; F75-Q79 HydrophobicContact CG-CG 4.48Å; F75-Q79 HydrophobicContact CZ-CG 3.44Å; F75-Q79 VanDerWaalsContact CZ-CG 3.44Å; F75-Q79 WeakPolarHBondContact O-CG 3.35Å; F75-Q79 PolarHBondContact O-N 3.46Å; F75-Q79 VanDerWaalsContact O-N 3.16Å; L76-Q79 PolarHBondContact O-N 2.78Å; L76-Q79 VanDerWaalsContact O-N 3.13Å |
| 80 | T | 96.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -137 | 5.2 | -170.2 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | L76 F82 R103 L136 A137 A142 | L76-T80 PolarHBondContact O-N 3.12Å; L76-T80 PolarHBondContact O-OG1 2.9Å; T80-F82 PolarHBondContact O-N 3.19Å; T80-R103 WeakPolarHBondContact O-CD 3.37Å; T80-R103 PolarHBondContact O-NH1 2.89Å; T80-L136 WeakPolarHBondContact CB-O 3.35Å; T80-L136 VanDerWaalsContact CG2-O 3.26Å; T80-L136 WeakPolarHBondContact CG2-O 3.45Å; T80-L136 PolarHBondContact OG1-O 2.81Å; T80-A137 WeakPolarHBondContact CG2-O 3.49Å; T80-A142 HydrophobicContact CG2-CB 4.01Å |
| 81 | G | 96.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 47 Ų | 47 | 24% | 0.237 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 71.7 | 0.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L76 K77 | L76-G81 PolarHBondContact O-N 3.14Å; K77-G81 WeakPolarHBondContact O-CA 3.34Å; K77-G81 PolarHBondContact O-N 3.16Å |
| 82 | F | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -70.2 | 147.2 | 173.2 | -100.3 | -100.3 | 0 | 0 | 0 | 111.8 | L76 K77 T80 L100 R103 F105 L136 A142 | L76-F82 CarbonylContact C-O 3.37Å; L76-F82 HydrophobicContact CB-CB 4.2Å; L76-F82 WeakPolarHBondContact CB-O 3.38Å; K77-F82 WeakPolarHBondContact CA-O 3.35Å; K77-F82 PolarHBondContact N-O 2.77Å; T80-F82 PolarHBondContact O-N 3.19Å; F82-L100 HydrophobicContact CE1-CD2 4.09Å; F82-R103 CarbonylContact C-O 3.56Å; F82-R103 VanDerWaalsContact CA-O 3.25Å; F82-R103 WeakPolarHBondContact CA-O 3.36Å; F82-R103 HydrophobicContact CD1-CB 4.27Å; F82-R103 WeakPolarHBondContact CD1-O 3.24Å; F82-R103 HydrophobicContact CD2-CB 3.64Å; F82-R103 HydrophobicContact CD2-CG 3.88Å; F82-R103 HydrophobicContact CE1-CB 4.35Å; F82-R103 HydrophobicContact CE2-CB 3.72Å; F82-R103 HydrophobicContact CE2-CG 3.63Å; F82-R103 HydrophobicContact CG-CB 3.93Å; F82-R103 HydrophobicContact CZ-CB 4.1Å; F82-R103 HydrophobicContact CZ-CG 4.24Å; F82-F105 HydrophobicContact CD1-CB 4.36Å; F82-L136 HydrophobicContact CD1-CD1 4.17Å; F82-L136 HydrophobicContact CD1-CD2 3.86Å; F82-L136 HydrophobicContact CE1-CD2 3.75Å; F82-L136 HydrophobicContact CE2-CD2 4.49Å; F82-L136 HydrophobicContact CG-CD2 4.26Å; F82-L136 HydrophobicContact CZ-CD2 4.08Å; F82-A142 HydrophobicContact CD2-CB 3.6Å; F82-A142 HydrophobicContact CE2-CB 3.63Å; F82-A142 VanDerWaalsContact CE2-O 3.31Å; F82-A142 WeakPolarHBondContact CE2-O 3.43Å | ||
| 83 | Q | 97.4 | Very high | 95.1 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.3 | 176 | -67.7 | 170.6 | 108.9 | 0 | 0 | 109.3 | K77 R103 V104 F105 | K77-Q83 HydrophobicContact CB-CG 4.03Å; K77-Q83 HydrophobicContact CD-CG 4.01Å; K77-Q83 HydrophobicContact CG-CG 4.05Å; Q83-R103 PolarHBondContact N-O 3.26Å; Q83-V104 CarbonylContact O-C 3.01Å; Q83-V104 WeakPolarHBondContact O-CA 3.26Å; Q83-F105 PolarHBondContact O-N 3.31Å |
| 84 | L | 97.5 | Very high | 95 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 153.6 | 173.4 | -54.3 | -174.8 | 0 | 0 | 0 | 110.5 | I16 L69 V72 S73 L76 F105 C107 V133 | I16-L84 HydrophobicContact CD1-CB 4.03Å; I16-L84 WeakPolarHBondContact CD1-O 3.13Å; L69-L84 HydrophobicContact CB-CD1 4.35Å; L69-L84 HydrophobicContact CD2-CD1 4.03Å; V72-L84 HydrophobicContact CB-CD1 3.93Å; V72-L84 HydrophobicContact CG1-CD1 3.77Å; S73-L84 PolarHBondContact OG-N 3.33Å; L76-L84 HydrophobicContact CD1-CD2 3.7Å; L76-L84 HydrophobicContact CD1-CG 4.11Å; L84-F105 WeakPolarHBondContact CA-O 3.36Å; L84-F105 HydrophobicContact CD2-CB 3.97Å; L84-F105 HydrophobicContact CD2-CD1 4.35Å; L84-C107 HydrophobicContact CB-CB 4.38Å; L84-C107 HydrophobicContact CD2-CB 4.45Å; L84-V133 HydrophobicContact CD1-CG2 4.4Å; L84-V133 HydrophobicContact CD2-CG2 4.44Å |
| 85 | K | 96.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 50.5 Ų | 50.5 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.7 | 168.7 | 180 | -177.3 | 176.7 | -176.9 | 0 | 108.9 | A87 V104 F105 P106 C107 | K85-A87 PolarHBondContact O-N 3.3Å; K85-V104 HydrophobicContact CB-CG1 3.67Å; K85-F105 PolarHBondContact N-O 3.05Å; K85-P106 CarbonylContact O-C 3.39Å; K85-P106 WeakPolarHBondContact O-CA 3.37Å; K85-C107 PolarHBondContact O-N 2.84Å |
| 86 | P | 97.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.032 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 129.9 | 177.5 | 27.8 | -35.7 | 0 | 0 | 0 | 110.7 | A7 H10 I16 C107 | A7-P86 HydrophobicContact CB-CB 4.08Å; H10-P86 HydrophobicContact CB-CG 3.52Å; H10-P86 VanDerWaalsContact CG-CG 3.46Å; I16-P86 HydrophobicContact CG2-CB 4.33Å; I16-P86 HydrophobicContact CG2-CG 4.07Å; P86-C107 CarbonylContact C-O 3.52Å; P86-C107 VanDerWaalsContact CA-O 3.3Å; P86-C107 WeakPolarHBondContact CA-O 3.35Å |
| 87 | A | 95.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | A7 K85 G89 V91 P106 C107 T108 | A7-A87 VanDerWaalsContact CB-C 3.49Å; K85-A87 PolarHBondContact O-N 3.3Å; A87-G89 PolarHBondContact O-N 3.33Å; A87-V91 HydrophobicContact CB-CG2 4.2Å; A87-P106 HydrophobicContact CB-CB 4.01Å; A87-C107 PolarHBondContact N-O 3.38Å; A87-T108 HydrophobicContact CB-CG2 4.27Å |
| 88 | S | 92 | Very high | 94.7 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -74.3 | -10.8 | 179.6 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 89 | G | 89.2 | Confident | 94.7 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 155.7 | -147.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A87 V91 | A87-G89 PolarHBondContact O-N 3.33Å; G89-V91 PolarHBondContact O-N 3.44Å |
| 90 | L | 84.3 | Confident | 94.8 | Very high | 161 Ų | 161 | 40.4 Ų | 40.4 | 84% | 0.843 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -63.7 | 126.9 | 179.6 | -166.2 | 68.6 | 0 | 0 | 0 | 111.4 | ||
| 91 | V | 89.6 | Confident | 94.8 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -99.7 | 142.1 | 176.8 | -178 | 0 | 0 | 0 | 0 | 108.6 | A87 G89 T95 F96 P106 | A87-V91 HydrophobicContact CB-CG2 4.2Å; G89-V91 PolarHBondContact O-N 3.44Å; V91-T95 HydrophobicContact CG1-CG2 3.5Å; V91-F96 HydrophobicContact CB-CB 4.27Å; V91-F96 HydrophobicContact CG1-CB 4.04Å; V91-P106 HydrophobicContact CG2-CB 4.15Å |
| 92 | T | 92.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 41.5 Ų | 41.5 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 147.3 | 176.1 | 64.7 | 0 | 0 | 0 | 0 | 110.4 | R94 T95 F96 | T92-R94 VanDerWaalsContact C-N 3.26Å; T92-R94 PolarHBondContact O-N 2.72Å; T92-T95 PolarHBondContact O-N 2.84Å; T92-T95 VanDerWaalsContact O-N 3.08Å; T92-T95 WeakPolarHBondContact OG1-CB 3.37Å; T92-T95 PolarHBondContact OG1-N 2.95Å; T92-T95 PolarHBondContact OG1-OG1 2.9Å; T92-T95 VanDerWaalsContact OG1-OG1 3.1Å; T92-F96 WeakPolarHBondContact O-CB 3.37Å; T92-F96 PolarHBondContact O-N 3.5Å |
| 93 | P | 93.5 | Very high | 94.8 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -52.1 | -44.6 | -179.8 | -30.5 | 37.3 | 0 | 0 | 0 | 112.8 | T95 F96 L97 V160 A164 | P93-T95 PolarHBondContact O-N 2.85Å; P93-F96 PolarHBondContact O-N 3.29Å; P93-L97 WeakPolarHBondContact O-CB 3.46Å; P93-L97 WeakPolarHBondContact O-CG 3.47Å; P93-L97 PolarHBondContact O-N 3.12Å; P93-V160 HydrophobicContact CB-CG1 3.9Å; P93-A164 HydrophobicContact CB-CB 3.92Å |
| 94 | R | 96.5 | Very high | 94.8 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.9 | -48.3 | 177 | -175.2 | 171.3 | -70.4 | -74.5 | 7 | 112.8 | T92 A98 V155 S156 D157 V160 | T92-R94 VanDerWaalsContact C-N 3.26Å; T92-R94 PolarHBondContact O-N 2.72Å; R94-A98 VanDerWaalsContact O-CB 3.27Å; R94-A98 WeakPolarHBondContact O-CB 3.5Å; R94-A98 PolarHBondContact O-N 2.88Å; R94-V155 PolarHBondContact NH1-O 2.8Å; R94-V155 PolarHBondContact NH2-O 3.05Å; R94-S156 PolarHBondContact NH2-O 3.19Å; R94-D157 IonicContact CZ-OD1 2.82Å; R94-D157 IonicContact NE-OD1 3.8Å; R94-D157 PolarHBondContact NE-OD1 3.41Å; R94-D157 IonicContact NH2-OD1 3.72Å; R94-D157 PolarHBondContact NH2-OD1 2.88Å; R94-V160 HydrophobicContact CB-CG1 4.11Å; R94-V160 VanDerWaalsContact CZ-CG2 3.49Å |
| 95 | T | 95.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.5 | -40.7 | -179.8 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | V91 T92 P93 A98 C99 | V91-T95 HydrophobicContact CG1-CG2 3.5Å; T92-T95 PolarHBondContact O-N 2.84Å; T92-T95 VanDerWaalsContact O-N 3.08Å; T92-T95 WeakPolarHBondContact OG1-CB 3.37Å; T92-T95 PolarHBondContact OG1-N 2.95Å; T92-T95 PolarHBondContact OG1-OG1 2.9Å; T92-T95 VanDerWaalsContact OG1-OG1 3.1Å; P93-T95 PolarHBondContact O-N 2.85Å; T95-A98 PolarHBondContact O-N 2.89Å; T95-C99 PolarHBondContact O-N 3.3Å; T95-C99 VanDerWaalsContact O-N 3.1Å; T95-C99 PolarHBondContact O-SG 3.29Å; T95-C99 VanDerWaalsContact O-SG 3.42Å |
| 96 | F | 95.3 | Very high | 94.8 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | 178.6 | -175.8 | -90.7 | 0 | 0 | 0 | 111.5 | V91 T92 P93 A98 C99 L100 F105 P106 L167 | V91-F96 HydrophobicContact CB-CB 4.27Å; V91-F96 HydrophobicContact CG1-CB 4.04Å; T92-F96 WeakPolarHBondContact O-CB 3.37Å; T92-F96 PolarHBondContact O-N 3.5Å; P93-F96 PolarHBondContact O-N 3.29Å; F96-A98 PolarHBondContact O-N 3.39Å; F96-C99 WeakPolarHBondContact O-CB 3.33Å; F96-C99 PolarHBondContact O-N 3.18Å; F96-L100 HydrophobicContact CD1-CD1 4.28Å; F96-L100 HydrophobicContact CD1-CG 4.41Å; F96-L100 HydrophobicContact CE1-CD1 3.8Å; F96-L100 HydrophobicContact CE1-CD2 4.3Å; F96-L100 HydrophobicContact CE1-CG 4.07Å; F96-L100 HydrophobicContact CZ-CD2 4.44Å; F96-L100 PolarHBondContact O-N 3.02Å; F96-F105 HydrophobicContact CE2-CE2 4.37Å; F96-F105 HydrophobicContact CE2-CZ 4.39Å; F96-F105 HydrophobicContact CZ-CD2 4.18Å; F96-F105 AromaticContact CZ-CE2 3.71Å; F96-F105 HydrophobicContact CZ-CE2 3.71Å; F96-F105 HydrophobicContact CZ-CZ 4.06Å; F96-P106 HydrophobicContact CD2-CB 4.17Å; F96-P106 HydrophobicContact CD2-CG 3.79Å; F96-P106 HydrophobicContact CE2-CB 4.31Å; F96-P106 HydrophobicContact CE2-CG 4.1Å; F96-L167 HydrophobicContact CD1-CD2 4.28Å; F96-L167 HydrophobicContact CE1-CD2 3.87Å |
| 97 | L | 96.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 178.8 | -65.9 | 173.3 | 0 | 0 | 0 | 112.2 | P93 C99 L100 A101 I148 G149 S152 V160 I163 A164 L167 | P93-L97 WeakPolarHBondContact O-CB 3.46Å; P93-L97 WeakPolarHBondContact O-CG 3.47Å; P93-L97 PolarHBondContact O-N 3.12Å; L97-C99 VanDerWaalsContact C-N 3.27Å; L97-C99 PolarHBondContact O-N 3.23Å; L97-L100 HydrophobicContact CD2-CD1 4.28Å; L97-L100 WeakPolarHBondContact O-CB 3.16Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-L100 VanDerWaalsContact O-N 3.11Å; L97-A101 PolarHBondContact O-N 3.06Å; L97-A101 VanDerWaalsContact O-N 3.09Å; L97-I148 HydrophobicContact CD2-CG2 3.8Å; L97-G149 WeakPolarHBondContact O-CA 3.42Å; L97-S152 VanDerWaalsContact CB-OG 3.23Å; L97-S152 WeakPolarHBondContact CB-OG 3.47Å; L97-V160 HydrophobicContact CD1-CG1 4.17Å; L97-I163 HydrophobicContact CD1-CB 4.24Å; L97-I163 HydrophobicContact CD1-CG2 3.83Å; L97-I163 HydrophobicContact CD2-CG2 4.29Å; L97-A164 HydrophobicContact CD1-CB 4.29Å; L97-L167 HydrophobicContact CD2-CD2 3.59Å |
| 98 | A | 96.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 28% | 0.281 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -34 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R94 T95 F96 A101 L153 | R94-A98 VanDerWaalsContact O-CB 3.27Å; R94-A98 WeakPolarHBondContact O-CB 3.5Å; R94-A98 PolarHBondContact O-N 2.88Å; T95-A98 PolarHBondContact O-N 2.89Å; F96-A98 PolarHBondContact O-N 3.39Å; A98-A101 WeakPolarHBondContact O-CB 3.33Å; A98-A101 PolarHBondContact O-N 3.21Å; A98-L153 HydrophobicContact CB-CD2 4.21Å |
| 99 | C | 96.8 | Very high | 95 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 14% | 0.142 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 171.7 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | T95 F96 L97 A101 L102 R103 V104 P106 | T95-C99 PolarHBondContact O-N 3.3Å; T95-C99 VanDerWaalsContact O-N 3.1Å; T95-C99 PolarHBondContact O-SG 3.29Å; T95-C99 VanDerWaalsContact O-SG 3.42Å; F96-C99 WeakPolarHBondContact O-CB 3.33Å; F96-C99 PolarHBondContact O-N 3.18Å; L97-C99 VanDerWaalsContact C-N 3.27Å; L97-C99 PolarHBondContact O-N 3.23Å; C99-A101 PolarHBondContact O-N 3.46Å; C99-L102 PolarHBondContact O-N 2.67Å; C99-R103 PolarHBondContact O-N 3.33Å; C99-V104 CarbonylContact C-O 3.59Å; C99-V104 HydrophobicContact CB-CB 4.18Å; C99-V104 HydrophobicContact CB-CG1 4.36Å; C99-V104 VanDerWaalsContact CB-O 3.26Å; C99-V104 WeakPolarHBondContact CB-O 3.39Å; C99-V104 PolarHBondContact O-N 3Å; C99-V104 VanDerWaalsContact O-O 3.07Å; C99-P106 HydrophobicContact CB-CG 3.78Å |
| 100 | L | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -35.2 | 177.6 | -63.7 | -173.5 | 0 | 0 | 0 | 112.5 | F82 F96 L97 L102 R103 V104 F105 Q146 L167 | F82-L100 HydrophobicContact CE1-CD2 4.09Å; F96-L100 HydrophobicContact CD1-CD1 4.28Å; F96-L100 HydrophobicContact CD1-CG 4.41Å; F96-L100 HydrophobicContact CE1-CD1 3.8Å; F96-L100 HydrophobicContact CE1-CD2 4.3Å; F96-L100 HydrophobicContact CE1-CG 4.07Å; F96-L100 HydrophobicContact CZ-CD2 4.44Å; F96-L100 PolarHBondContact O-N 3.02Å; L97-L100 HydrophobicContact CD2-CD1 4.28Å; L97-L100 WeakPolarHBondContact O-CB 3.16Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-L100 VanDerWaalsContact O-N 3.11Å; L100-L102 PolarHBondContact O-N 3.02Å; L100-L102 VanDerWaalsContact O-N 3.13Å; L100-R103 PolarHBondContact O-N 2.98Å; L100-V104 PolarHBondContact N-O 2.87Å; L100-F105 HydrophobicContact CD2-CD2 3.91Å; L100-Q146 WeakPolarHBondContact O-CA 3.27Å; L100-L167 HydrophobicContact CD1-CD1 4.45Å; L100-L167 HydrophobicContact CD1-CD2 3.68Å |
| 101 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57 | -28.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L97 A98 C99 Q146 L150 L153 L253 | L97-A101 PolarHBondContact O-N 3.06Å; L97-A101 VanDerWaalsContact O-N 3.09Å; A98-A101 WeakPolarHBondContact O-CB 3.33Å; A98-A101 PolarHBondContact O-N 3.21Å; C99-A101 PolarHBondContact O-N 3.46Å; A101-Q146 PolarHBondContact O-NE2 3.16Å; A101-L150 HydrophobicContact CB-CD2 4.13Å; A101-L150 HydrophobicContact CB-CG 4.29Å; A101-L153 HydrophobicContact CB-CD1 3.94Å; A101-L153 HydrophobicContact CB-CD2 4.19Å; A101-L153 HydrophobicContact CB-CG 4.23Å; A101-L253 HydrophobicContact CB-CD1 4.3Å |
| 102 | L | 97.2 | Very high | 96.1 | Very high | 56 Ų | 56 | 28 Ų | 28 | 29% | 0.293 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 11.3 | 178.2 | -67.6 | 168.4 | 0 | 0 | 0 | 113.2 | C99 L100 V104 Y246 L253 | C99-L102 PolarHBondContact O-N 2.67Å; L100-L102 PolarHBondContact O-N 3.02Å; L100-L102 VanDerWaalsContact O-N 3.13Å; L102-V104 HydrophobicContact CB-CG2 4.13Å; L102-V104 PolarHBondContact O-N 3.48Å; L102-Y246 HydrophobicContact CD2-CD2 4.29Å; L102-Y246 HydrophobicContact CD2-CE2 4.12Å; L102-L253 HydrophobicContact CD2-CD1 3.86Å; L102-L253 HydrophobicContact CD2-CG 3.71Å; L102-L253 HydrophobicContact CG-CD1 4.09Å; L102-L253 HydrophobicContact CG-CG 4.44Å |
| 103 | R | 97.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 16% | 0.158 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 39.3 | -168.2 | -58.2 | -162.9 | -179.9 | -146.1 | -9.3 | 112.8 | T80 F82 Q83 C99 L100 D143 Q146 | T80-R103 WeakPolarHBondContact O-CD 3.37Å; T80-R103 PolarHBondContact O-NH1 2.89Å; F82-R103 CarbonylContact C-O 3.56Å; F82-R103 VanDerWaalsContact CA-O 3.25Å; F82-R103 WeakPolarHBondContact CA-O 3.36Å; F82-R103 HydrophobicContact CD1-CB 4.27Å; F82-R103 WeakPolarHBondContact CD1-O 3.24Å; F82-R103 HydrophobicContact CD2-CB 3.64Å; F82-R103 HydrophobicContact CD2-CG 3.88Å; F82-R103 HydrophobicContact CE1-CB 4.35Å; F82-R103 HydrophobicContact CE2-CB 3.72Å; F82-R103 HydrophobicContact CE2-CG 3.63Å; F82-R103 HydrophobicContact CG-CB 3.93Å; F82-R103 HydrophobicContact CZ-CB 4.1Å; F82-R103 HydrophobicContact CZ-CG 4.24Å; Q83-R103 PolarHBondContact N-O 3.26Å; C99-R103 PolarHBondContact O-N 3.33Å; L100-R103 PolarHBondContact O-N 2.98Å; R103-D143 IonicContact CZ-OD1 2.8Å; R103-D143 IonicContact NH1-OD1 3.37Å; R103-D143 PolarHBondContact NH1-OD1 2.76Å; R103-D143 IonicContact NH2-OD1 2.77Å; R103-D143 PolarHBondContact NH2-OD1 3.46Å; R103-Q146 HydrophobicContact CG-CB 4.3Å; R103-Q146 HydrophobicContact CG-CG 4.2Å; R103-Q146 VanDerWaalsContact CZ-OE1 3.29Å |
| 104 | V | 97.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 34 Ų | 34 | 17% | 0.17 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.8 | 174.6 | 179 | 0 | 0 | 0 | 0 | 108.9 | Q83 K85 C99 L100 L102 | Q83-V104 CarbonylContact O-C 3.01Å; Q83-V104 WeakPolarHBondContact O-CA 3.26Å; K85-V104 HydrophobicContact CB-CG1 3.67Å; C99-V104 CarbonylContact C-O 3.59Å; C99-V104 HydrophobicContact CB-CB 4.18Å; C99-V104 HydrophobicContact CB-CG1 4.36Å; C99-V104 VanDerWaalsContact CB-O 3.26Å; C99-V104 WeakPolarHBondContact CB-O 3.39Å; C99-V104 PolarHBondContact O-N 3Å; C99-V104 VanDerWaalsContact O-O 3.07Å; L100-V104 PolarHBondContact N-O 2.87Å; L102-V104 HydrophobicContact CB-CG2 4.13Å; L102-V104 PolarHBondContact O-N 3.48Å |
| 105 | F | 97.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 112.1 | 175.5 | -168.7 | -86.2 | 0 | 0 | 0 | 110.1 | F82 Q83 L84 K85 F96 L100 C107 E128 H132 L136 | F82-F105 HydrophobicContact CD1-CB 4.36Å; Q83-F105 PolarHBondContact O-N 3.31Å; L84-F105 WeakPolarHBondContact CA-O 3.36Å; L84-F105 HydrophobicContact CD2-CB 3.97Å; L84-F105 HydrophobicContact CD2-CD1 4.35Å; K85-F105 PolarHBondContact N-O 3.05Å; F96-F105 HydrophobicContact CE2-CE2 4.37Å; F96-F105 HydrophobicContact CE2-CZ 4.39Å; F96-F105 HydrophobicContact CZ-CD2 4.18Å; F96-F105 AromaticContact CZ-CE2 3.71Å; F96-F105 HydrophobicContact CZ-CE2 3.71Å; F96-F105 HydrophobicContact CZ-CZ 4.06Å; L100-F105 HydrophobicContact CD2-CD2 3.91Å; F105-C107 HydrophobicContact CD1-CB 4.24Å; F105-C107 PolarHBondContact O-N 3.5Å; F105-E128 WeakPolarHBondContact CE1-OE2 3.39Å; F105-H132 HydrophobicContact CE1-CB 4.14Å; F105-H132 HydrophobicContact CE2-CB 3.92Å; F105-H132 AromaticContact CE2-CG 3.9Å; F105-H132 HydrophobicContact CZ-CB 3.58Å; F105-H132 AromaticContact CZ-CD2 3.68Å; F105-H132 AromaticContact CZ-CG 3.4Å; F105-H132 AromaticContact CZ-ND1 3.84Å; F105-L136 HydrophobicContact CB-CD1 3.82Å; F105-L136 HydrophobicContact CD1-CD1 4.45Å; F105-L136 HydrophobicContact CD2-CD1 3.64Å; F105-L136 HydrophobicContact CE2-CD1 4.31Å; F105-L136 HydrophobicContact CG-CD1 3.72Å |
| 106 | P | 96.3 | Very high | 96 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 122.8 | 169.8 | -20.7 | 33.4 | 0 | 0 | 0 | 110.1 | K85 A87 V91 F96 C99 | K85-P106 CarbonylContact O-C 3.39Å; K85-P106 WeakPolarHBondContact O-CA 3.37Å; A87-P106 HydrophobicContact CB-CB 4.01Å; V91-P106 HydrophobicContact CG2-CB 4.15Å; F96-P106 HydrophobicContact CD2-CB 4.17Å; F96-P106 HydrophobicContact CD2-CG 3.79Å; F96-P106 HydrophobicContact CE2-CB 4.31Å; F96-P106 HydrophobicContact CE2-CG 4.1Å; C99-P106 HydrophobicContact CB-CG 3.78Å |
| 107 | C | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 126.8 | -171.2 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | L69 L84 K85 P86 A87 F105 E128 | L69-C107 HydrophobicContact CD1-CB 3.99Å; L69-C107 VanDerWaalsContact CD2-SG 3.56Å; L84-C107 HydrophobicContact CB-CB 4.38Å; L84-C107 HydrophobicContact CD2-CB 4.45Å; K85-C107 PolarHBondContact O-N 2.84Å; P86-C107 CarbonylContact C-O 3.52Å; P86-C107 VanDerWaalsContact CA-O 3.3Å; P86-C107 WeakPolarHBondContact CA-O 3.35Å; A87-C107 PolarHBondContact N-O 3.38Å; F105-C107 HydrophobicContact CD1-CB 4.24Å; F105-C107 PolarHBondContact O-N 3.5Å; C107-E128 WeakPolarHBondContact SG-CB 3.29Å |
| 108 | T | 96 | Very high | 95.3 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 149.7 | 177.4 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | A87 Y110 P123 D124 C125 | A87-T108 HydrophobicContact CB-CG2 4.27Å; T108-Y110 HydrophobicContact CG2-CD1 4.26Å; T108-Y110 HydrophobicContact CG2-CE1 3.55Å; T108-P123 WeakPolarHBondContact CB-O 3.5Å; T108-P123 VanDerWaalsContact CG2-O 3.31Å; T108-P123 WeakPolarHBondContact CG2-O 3.38Å; T108-P123 PolarHBondContact OG1-O 3.22Å; T108-D124 WeakPolarHBondContact OG1-CA 3.48Å; T108-C125 WeakPolarHBondContact O-CA 3.22Å; T108-C125 WeakPolarHBondContact O-CB 3.21Å; T108-C125 PolarHBondContact OG1-N 3.28Å |
| 109 | Q | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | trans | -107.2 | -10.5 | 178.3 | -70.9 | -174.5 | -87.3 | 0 | 0 | 113.5 | F3 P17 V19 Y21 L69 | F3-Q109 HydrophobicContact CD1-CB 3.7Å; F3-Q109 HydrophobicContact CE1-CB 4.15Å; F3-Q109 WeakPolarHBondContact CE1-O 3.46Å; P17-Q109 PolarHBondContact O-NE2 3.35Å; P17-Q109 VanDerWaalsContact O-NE2 3.14Å; V19-Q109 HydrophobicContact CG2-CB 4.43Å; V19-Q109 VanDerWaalsContact CG2-NE2 3.33Å; Y21-Q109 VanDerWaalsContact CE1-O 3.31Å; Y21-Q109 WeakPolarHBondContact CE1-O 3.47Å; Y21-Q109 PolarHBondContact OH-O 2.8Å; L69-Q109 HydrophobicContact CD1-CG 3.31Å; L69-Q109 HydrophobicContact CG-CG 3.82Å | ||
| 110 | Y | 96.3 | Very high | 94 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 153.3 | 179.3 | 65 | -93.4 | 0 | 0 | 0 | 111.3 | F3 T108 E122 P123 D124 C125 | F3-Y110 VanDerWaalsContact CD2-CB 3.48Å; T108-Y110 HydrophobicContact CG2-CD1 4.26Å; T108-Y110 HydrophobicContact CG2-CE1 3.55Å; Y110-E122 WeakPolarHBondContact OH-CB 3.47Å; Y110-E122 PolarHBondContact OH-OE2 2.82Å; Y110-P123 PolarHBondContact OH-O 3.35Å; Y110-D124 HydrophobicContact CD2-CB 3.95Å; Y110-D124 HydrophobicContact CE2-CB 3.77Å; Y110-D124 WeakPolarHBondContact O-CB 3.28Å; Y110-C125 WeakPolarHBondContact O-CB 3.22Å; Y110-C125 PolarHBondContact O-N 3.48Å |
| 111 | V | 95.5 | Very high | 93.2 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -101.6 | 141.6 | 176.5 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | Y21 E25 T28 I66 I126 | Y21-V111 HydrophobicContact CD1-CG2 3.96Å; Y21-V111 HydrophobicContact CE1-CG2 3.94Å; E25-V111 HydrophobicContact CB-CB 4.3Å; E25-V111 HydrophobicContact CB-CG2 3.89Å; E25-V111 HydrophobicContact CG-CB 4.02Å; E25-V111 HydrophobicContact CG-CG2 3.95Å; T28-V111 HydrophobicContact CG2-CG1 3.96Å; I66-V111 HydrophobicContact CD1-CG2 3.59Å; V111-I126 HydrophobicContact CG1-CD1 3.89Å; V111-I126 HydrophobicContact CG1-CG1 4.26Å |
| 112 | R | 94.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -56 | 162.5 | 173 | 65.9 | -171.7 | 64.4 | -176.4 | -2.9 | 112.8 | T28 W114 P117 D124 I126 A180 | T28-R112 HydrophobicContact CG2-CG 3.93Å; R112-W114 PolarHBondContact O-N 3.04Å; R112-P117 WeakPolarHBondContact CD-O 3.42Å; R112-P117 PolarHBondContact NH1-O 3.17Å; R112-D124 HydrophobicContact CB-CB 4.19Å; R112-D124 VanDerWaalsContact CB-OD2 3.25Å; R112-D124 WeakPolarHBondContact CB-OD2 3.32Å; R112-D124 VanDerWaalsContact CG-OD2 3.3Å; R112-D124 WeakPolarHBondContact CG-OD2 3.27Å; R112-D124 IonicContact CZ-OD1 3.45Å; R112-D124 IonicContact CZ-OD2 3.17Å; R112-D124 PolarHBondContact N-OD2 3Å; R112-D124 VanDerWaalsContact NE-CG 3.31Å; R112-D124 IonicContact NE-OD1 3.96Å; R112-D124 PolarHBondContact NE-OD1 3.45Å; R112-D124 IonicContact NE-OD2 2.89Å; R112-D124 PolarHBondContact NE-OD2 3.13Å; R112-D124 IonicContact NH2-OD1 3.25Å; R112-D124 PolarHBondContact NH2-OD1 3.12Å; R112-D124 IonicContact NH2-OD2 2.65Å; R112-I126 HydrophobicContact CG-CD1 4.21Å; R112-A180 PolarHBondContact NH2-O 3.04Å |
| 113 | Y | 94.6 | Very high | 92.1 | Very high | 143 Ų | 143 | 50.2 Ų | 50.2 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -65.1 | 122.7 | -178.5 | -173.6 | -125.6 | 0 | 0 | 0 | 112.5 | K115 S116 | Y113-K115 HydrophobicContact CD1-CB 3.9Å; Y113-K115 HydrophobicContact CD1-CG 4.45Å; Y113-K115 HydrophobicContact CE1-CB 3.53Å; Y113-K115 HydrophobicContact CE1-CD 3.87Å; Y113-K115 HydrophobicContact CE1-CG 3.7Å; Y113-K115 PolarHBondContact O-N 2.9Å; Y113-S116 CarbonylContact O-C 3.37Å; Y113-S116 PolarHBondContact O-N 3.42Å |
| 114 | W | 94.4 | Very high | 91.9 | Very high | 111 Ų | 111 | 48.2 Ų | 48.2 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.2 | -173.5 | 66.2 | -88 | 0 | 0 | 0 | 116.3 | K24 T28 R112 S116 P117 | K24-W114 HydrophobicContact CD-CB 4.08Å; K24-W114 VanDerWaalsContact CD-CD1 3.42Å; K24-W114 HydrophobicContact CD-CD2 3.8Å; K24-W114 HydrophobicContact CD-CG 3.49Å; K24-W114 VanDerWaalsContact CD-CG 3.49Å; K24-W114 HydrophobicContact CG-CB 3.85Å; K24-W114 HydrophobicContact CG-CD2 4.33Å; K24-W114 HydrophobicContact CG-CG 3.83Å; T28-W114 WeakPolarHBondContact OG1-CA 3.28Å; T28-W114 VanDerWaalsContact OG1-CB 3.29Å; T28-W114 WeakPolarHBondContact OG1-CB 3.49Å; R112-W114 PolarHBondContact O-N 3.04Å; W114-S116 VanDerWaalsContact C-N 3.29Å; W114-P117 WeakPolarHBondContact O-CD 3.48Å |
| 115 | K | 94.2 | Very high | 91.8 | Very high | 139 Ų | 139 | 46.9 Ų | 46.9 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -12.6 | 174.3 | -64.3 | -168.3 | 178.2 | -176 | 0 | 113.2 | Y113 P117 | Y113-K115 HydrophobicContact CD1-CB 3.9Å; Y113-K115 HydrophobicContact CD1-CG 4.45Å; Y113-K115 HydrophobicContact CE1-CB 3.53Å; Y113-K115 HydrophobicContact CE1-CD 3.87Å; Y113-K115 HydrophobicContact CE1-CG 3.7Å; Y113-K115 PolarHBondContact O-N 2.9Å; K115-P117 VanDerWaalsContact C-CD 3.42Å |
| 116 | S | 92.3 | Very high | 91.7 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | trans | -131.2 | 57.3 | 177.2 | -152.1 | 0 | 0 | 0 | 0 | 110.4 | Y113 W114 H118 H119 | Y113-S116 CarbonylContact O-C 3.37Å; Y113-S116 PolarHBondContact O-N 3.42Å; W114-S116 VanDerWaalsContact C-N 3.29Å; S116-H118 PolarHBondContact O-N 3.08Å; S116-H118 VanDerWaalsContact O-N 3.14Å; S116-H119 CarbonylContact O-C 3.6Å; S116-H119 PolarHBondContact O-N 3.36Å; S116-H119 VanDerWaalsContact O-N 3.08Å | ||
| 117 | P | 91.5 | Very high | 91.5 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 7% | 0.071 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -32.9 | -174.8 | 24 | -31.7 | 0 | 0 | 0 | 111.9 | T28 E31 V32 R112 W114 K115 H119 | T28-P117 HydrophobicContact CG2-CB 4.07Å; E31-P117 VanDerWaalsContact CD-CG 3.41Å; E31-P117 HydrophobicContact CG-CB 4.49Å; E31-P117 HydrophobicContact CG-CG 4.4Å; E31-P117 WeakPolarHBondContact OE1-CG 3.47Å; V32-P117 HydrophobicContact CG2-CB 3.94Å; V32-P117 WeakPolarHBondContact CG2-O 3.43Å; R112-P117 WeakPolarHBondContact CD-O 3.42Å; R112-P117 PolarHBondContact NH1-O 3.17Å; W114-P117 WeakPolarHBondContact O-CD 3.48Å; K115-P117 VanDerWaalsContact C-CD 3.42Å; P117-H119 VanDerWaalsContact C-N 3.35Å; P117-H119 PolarHBondContact O-N 3.09Å |
| 118 | H | 87.2 | Confident | 91.4 | Very high | 76 Ų | 76 | 47.8 Ų | 47.8 | 35% | 0.352 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -0.5 | -178.3 | -58.1 | -44.4 | 0 | 0 | 0 | 115 | E31 S116 A182 | E31-H118 IonicContact OE1-CD2 2.75Å; E31-H118 IonicContact OE1-CE1 3.7Å; E31-H118 IonicContact OE1-NE2 3.67Å; E31-H118 PolarHBondContact OE1-NE2 3.48Å; S116-H118 PolarHBondContact O-N 3.08Å; S116-H118 VanDerWaalsContact O-N 3.14Å; H118-A182 WeakPolarHBondContact O-CA 3.32Å |
| 119 | H | 81.6 | Confident | 91.4 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | trans | -138.8 | 131.5 | 179 | -179.7 | 39.2 | 0 | 0 | 0 | 111.9 | S116 P117 | S116-H119 CarbonylContact O-C 3.6Å; S116-H119 PolarHBondContact O-N 3.36Å; S116-H119 VanDerWaalsContact O-N 3.08Å; P117-H119 VanDerWaalsContact C-N 3.35Å; P117-H119 PolarHBondContact O-N 3.09Å | ||
| 120 | T | 83 | Confident | 91.2 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 10% | 0.104 | 23% | 0.228 | C | C | . | . | trans | -142.3 | 139 | 169.5 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | E122 | T120-E122 WeakPolarHBondContact CG2-O 3.4Å; T120-E122 PolarHBondContact OG1-N 3.19Å; T120-E122 PolarHBondContact OG1-O 2.68Å | ||
| 121 | T | 80.7 | Confident | 90.9 | Very high | 106 Ų | 106 | 46.2 Ų | 46.2 | 65% | 0.65 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -80.2 | -41 | 171.9 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | R181 | T121-R181 PolarHBondContact O-NH2 3.11Š|
| 122 | E | 82.9 | Confident | 90.7 | Very high | 113 Ų | 113 | 46.3 Ų | 46.3 | 53% | 0.528 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -97.1 | 152.7 | -178.7 | -61.9 | -179 | 177.2 | 0 | 0 | 111.7 | Y110 T120 D124 | Y110-E122 WeakPolarHBondContact OH-CB 3.47Å; Y110-E122 PolarHBondContact OH-OE2 2.82Å; T120-E122 WeakPolarHBondContact CG2-O 3.4Å; T120-E122 PolarHBondContact OG1-N 3.19Å; T120-E122 PolarHBondContact OG1-O 2.68Å; E122-D124 PolarHBondContact O-N 3.34Å; E122-D124 VanDerWaalsContact O-N 3.11Å |
| 123 | P | 88.2 | Confident | 90.8 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | trans | -75.7 | 99.3 | 177.3 | 32.7 | -34.6 | 0 | 0 | 0 | 110.4 | T108 Y110 E128 | T108-P123 WeakPolarHBondContact CB-O 3.5Å; T108-P123 VanDerWaalsContact CG2-O 3.31Å; T108-P123 WeakPolarHBondContact CG2-O 3.38Å; T108-P123 PolarHBondContact OG1-O 3.22Å; Y110-P123 PolarHBondContact OH-O 3.35Å; P123-E128 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 124 | D | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -84.3 | 172.8 | 174 | 75 | -41.2 | 0 | 0 | 0 | 111.7 | T108 Y110 R112 E122 I126 H127 E128 | T108-D124 WeakPolarHBondContact OG1-CA 3.48Å; Y110-D124 HydrophobicContact CD2-CB 3.95Å; Y110-D124 HydrophobicContact CE2-CB 3.77Å; Y110-D124 WeakPolarHBondContact O-CB 3.28Å; R112-D124 HydrophobicContact CB-CB 4.19Å; R112-D124 VanDerWaalsContact CB-OD2 3.25Å; R112-D124 WeakPolarHBondContact CB-OD2 3.32Å; R112-D124 VanDerWaalsContact CG-OD2 3.3Å; R112-D124 WeakPolarHBondContact CG-OD2 3.27Å; R112-D124 IonicContact CZ-OD1 3.45Å; R112-D124 IonicContact CZ-OD2 3.17Å; R112-D124 PolarHBondContact N-OD2 3Å; R112-D124 VanDerWaalsContact NE-CG 3.31Å; R112-D124 IonicContact NE-OD1 3.96Å; R112-D124 PolarHBondContact NE-OD1 3.45Å; R112-D124 IonicContact NE-OD2 2.89Å; R112-D124 PolarHBondContact NE-OD2 3.13Å; R112-D124 IonicContact NH2-OD1 3.25Å; R112-D124 PolarHBondContact NH2-OD1 3.12Å; R112-D124 IonicContact NH2-OD2 2.65Å; E122-D124 PolarHBondContact O-N 3.34Å; E122-D124 VanDerWaalsContact O-N 3.11Å; D124-I126 PolarHBondContact O-N 3.48Å; D124-I126 VanDerWaalsContact O-N 3.09Å; D124-I126 WeakPolarHBondContact OD2-CB 3.35Å; D124-I126 VanDerWaalsContact OD2-CG1 3.3Å; D124-I126 WeakPolarHBondContact OD2-CG1 3.19Å; D124-H127 WeakPolarHBondContact O-CA 3.4Å; D124-H127 VanDerWaalsContact O-CB 3.28Å; D124-H127 WeakPolarHBondContact O-CB 3.24Å; D124-H127 PolarHBondContact O-N 2.92Å; D124-H127 PolarHBondContact OD1-N 3.38Å; D124-E128 PolarHBondContact O-N 3.17Å; D124-E128 VanDerWaalsContact O-N 3.17Å | ||
| 125 | C | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -28.7 | -176.8 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | T108 Y110 E128 L129 | T108-C125 WeakPolarHBondContact O-CA 3.22Å; T108-C125 WeakPolarHBondContact O-CB 3.21Å; T108-C125 PolarHBondContact OG1-N 3.28Å; Y110-C125 WeakPolarHBondContact O-CB 3.22Å; Y110-C125 PolarHBondContact O-N 3.48Å; C125-E128 PolarHBondContact O-N 2.98Å; C125-L129 HydrophobicContact CB-CD1 4.49Å; C125-L129 VanDerWaalsContact O-CB 3.26Å; C125-L129 WeakPolarHBondContact O-CB 3.13Å; C125-L129 WeakPolarHBondContact O-CG 3.47Å; C125-L129 PolarHBondContact O-N 3.29Å |
| 126 | I | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.9 | -51.1 | -173.9 | 0 | 0 | 0 | 110.3 | T28 W29 V32 V111 R112 D124 E128 L130 | T28-I126 HydrophobicContact CG2-CD1 4.24Å; W29-I126 HydrophobicContact CE3-CG1 4.09Å; W29-I126 HydrophobicContact CE3-CG2 4.39Å; V32-I126 HydrophobicContact CB-CD1 4.3Å; V32-I126 HydrophobicContact CB-CG2 4.03Å; V32-I126 HydrophobicContact CG1-CG2 3.57Å; V32-I126 HydrophobicContact CG2-CD1 4.16Å; V111-I126 HydrophobicContact CG1-CD1 3.89Å; V111-I126 HydrophobicContact CG1-CG1 4.26Å; R112-I126 HydrophobicContact CG-CD1 4.21Å; D124-I126 PolarHBondContact O-N 3.48Å; D124-I126 VanDerWaalsContact O-N 3.09Å; D124-I126 WeakPolarHBondContact OD2-CB 3.35Å; D124-I126 VanDerWaalsContact OD2-CG1 3.3Å; D124-I126 WeakPolarHBondContact OD2-CG1 3.19Å; I126-E128 VanDerWaalsContact C-N 3.31Å; I126-E128 PolarHBondContact O-N 3.07Å; I126-L130 HydrophobicContact CG2-CD1 3.83Å; I126-L130 HydrophobicContact CG2-CG 4.45Å; I126-L130 WeakPolarHBondContact O-CB 3.49Å; I126-L130 PolarHBondContact O-N 3.02Å |
| 127 | H | 91.8 | Very high | 90.8 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 9% | 0.093 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -43 | 174.5 | 176.2 | 81 | 0 | 0 | 0 | 111.8 | D124 G131 H132 | D124-H127 WeakPolarHBondContact O-CA 3.4Å; D124-H127 VanDerWaalsContact O-CB 3.28Å; D124-H127 WeakPolarHBondContact O-CB 3.24Å; D124-H127 PolarHBondContact O-N 2.92Å; D124-H127 PolarHBondContact OD1-N 3.38Å; H127-G131 WeakPolarHBondContact O-CA 2.98Å; H127-G131 PolarHBondContact O-N 3.32Å; H127-H132 AromaticContact CD2-CD2 3.87Å; H127-H132 AromaticContact CD2-NE2 3.46Å; H127-H132 PolarHBondContact CD2-NE2 3.35Å; H127-H132 AromaticContact CE1-NE2 3.72Å; H127-H132 AromaticContact NE2-CD2 3.76Å; H127-H132 AromaticContact NE2-CE1 3.91Å; H127-H132 AromaticContact NE2-NE2 2.91Å; H127-H132 PolarHBondContact NE2-NE2 2.91Å |
| 128 | E | 93.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -69.2 | -51.3 | -178.6 | -50.1 | -58.5 | -174.5 | 0 | 0 | 112.6 | F105 C107 P123 D124 C125 I126 H132 V133 | F105-E128 WeakPolarHBondContact CE1-OE2 3.39Å; C107-E128 WeakPolarHBondContact SG-CB 3.29Å; P123-E128 WeakPolarHBondContact CB-OE1 3.47Å; D124-E128 PolarHBondContact O-N 3.17Å; D124-E128 VanDerWaalsContact O-N 3.17Å; C125-E128 PolarHBondContact O-N 2.98Å; I126-E128 VanDerWaalsContact C-N 3.31Å; I126-E128 PolarHBondContact O-N 3.07Å; E128-H132 PolarHBondContact O-N 3.31Å; E128-H132 IonicContact OE2-CD2 2.74Å; E128-H132 PolarHBondContact OE2-CD2 3.25Å; E128-H132 IonicContact OE2-CG 3.7Å; E128-H132 IonicContact OE2-NE2 2.79Å; E128-V133 PolarHBondContact O-N 3.21Å; E128-V133 VanDerWaalsContact O-N 3.12Å |
| 129 | L | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -70.2 | -41.2 | -175.4 | -66.7 | 172.9 | 0 | 0 | 0 | 112.7 | W29 F61 I66 P67 L69 V72 C125 V133 P134 | W29-L129 HydrophobicContact CH2-CB 4.25Å; W29-L129 HydrophobicContact CH2-CD1 4.38Å; W29-L129 HydrophobicContact CZ3-CB 4.06Å; W29-L129 HydrophobicContact CZ3-CD1 4.02Å; F61-L129 HydrophobicContact CE1-CB 4.24Å; F61-L129 VanDerWaalsContact CE1-O 3.26Å; F61-L129 WeakPolarHBondContact CE1-O 3.46Å; F61-L129 HydrophobicContact CZ-CB 4.05Å; F61-L129 HydrophobicContact CZ-CD2 4.13Å; I66-L129 HydrophobicContact CG2-CD1 4.07Å; P67-L129 HydrophobicContact CB-CD1 4.38Å; P67-L129 HydrophobicContact CG-CD1 4.41Å; L69-L129 HydrophobicContact CD2-CD2 3.86Å; L69-L129 HydrophobicContact CD2-CG 4.45Å; V72-L129 HydrophobicContact CG1-CD2 4.39Å; V72-L129 HydrophobicContact CG2-CD2 4.16Å; C125-L129 HydrophobicContact CB-CD1 4.49Å; C125-L129 VanDerWaalsContact O-CB 3.26Å; C125-L129 WeakPolarHBondContact O-CB 3.13Å; C125-L129 WeakPolarHBondContact O-CG 3.47Å; C125-L129 PolarHBondContact O-N 3.29Å; L129-V133 HydrophobicContact CD2-CG2 4.18Å; L129-P134 WeakPolarHBondContact O-CD 3.49Å |
| 130 | L | 93.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -95.6 | -13.3 | -179.5 | -60.6 | 179 | 0 | 0 | 0 | 113.6 | W29 Y33 L36 Y48 F61 I126 | W29-L130 HydrophobicContact CH2-CD1 4.26Å; W29-L130 HydrophobicContact CH2-CD2 3.76Å; W29-L130 HydrophobicContact CH2-CG 3.89Å; W29-L130 HydrophobicContact CZ2-CD2 4.45Å; W29-L130 HydrophobicContact CZ3-CD1 4.11Å; W29-L130 HydrophobicContact CZ3-CD2 4.31Å; W29-L130 HydrophobicContact CZ3-CG 3.9Å; Y33-L130 HydrophobicContact CD2-CD1 4.04Å; Y33-L130 HydrophobicContact CD2-CD2 3.74Å; Y33-L130 HydrophobicContact CE2-CD2 3.76Å; L36-L130 HydrophobicContact CD1-CB 4.3Å; L36-L130 HydrophobicContact CD1-CD1 3.99Å; Y48-L130 WeakPolarHBondContact CE2-O 3.43Å; Y48-L130 PolarHBondContact OH-O 3.02Å; F61-L130 HydrophobicContact CD1-CD2 4.1Å; F61-L130 HydrophobicContact CE1-CD2 4.03Å; I126-L130 HydrophobicContact CG2-CD1 3.83Å; I126-L130 HydrophobicContact CG2-CG 4.45Å; I126-L130 WeakPolarHBondContact O-CB 3.49Å; I126-L130 PolarHBondContact O-N 3.02Å |
| 131 | G | 89.9 | Confident | 91.8 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -96.4 | -56.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H127 | H127-G131 WeakPolarHBondContact O-CA 2.98Å; H127-G131 PolarHBondContact O-N 3.32Å |
| 132 | H | 92 | Very high | 92.4 | Very high | 20 Ų | 20 | 19.6 Ų | 19.6 | 9% | 0.093 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -98.5 | -42.4 | -168 | -59.9 | -82.9 | 0 | 0 | 0 | 113.1 | F105 H127 E128 M135 L136 | F105-H132 HydrophobicContact CE1-CB 4.14Å; F105-H132 HydrophobicContact CE2-CB 3.92Å; F105-H132 AromaticContact CE2-CG 3.9Å; F105-H132 HydrophobicContact CZ-CB 3.58Å; F105-H132 AromaticContact CZ-CD2 3.68Å; F105-H132 AromaticContact CZ-CG 3.4Å; F105-H132 AromaticContact CZ-ND1 3.84Å; H127-H132 AromaticContact CD2-CD2 3.87Å; H127-H132 AromaticContact CD2-NE2 3.46Å; H127-H132 PolarHBondContact CD2-NE2 3.35Å; H127-H132 AromaticContact CE1-NE2 3.72Å; H127-H132 AromaticContact NE2-CD2 3.76Å; H127-H132 AromaticContact NE2-CE1 3.91Å; H127-H132 AromaticContact NE2-NE2 2.91Å; H127-H132 PolarHBondContact NE2-NE2 2.91Å; E128-H132 PolarHBondContact O-N 3.31Å; E128-H132 IonicContact OE2-CD2 2.74Å; E128-H132 PolarHBondContact OE2-CD2 3.25Å; E128-H132 IonicContact OE2-CG 3.7Å; E128-H132 IonicContact OE2-NE2 2.79Å; H132-M135 WeakPolarHBondContact O-CB 3.43Å; H132-M135 PolarHBondContact O-N 3.19Å; H132-L136 WeakPolarHBondContact O-CG 3.25Å; H132-L136 PolarHBondContact O-N 3.5Å |
| 133 | V | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.9 | -45.7 | -173.2 | 167.6 | 0 | 0 | 0 | 0 | 113.6 | L55 F61 V72 L76 L84 E128 L129 M135 L136 A137 | L55-V133 HydrophobicContact CD1-CG1 3.87Å; L55-V133 HydrophobicContact CD2-CG1 3.91Å; F61-V133 HydrophobicContact CZ-CB 4.47Å; F61-V133 HydrophobicContact CZ-CG1 3.99Å; V72-V133 HydrophobicContact CG1-CB 4.38Å; V72-V133 HydrophobicContact CG1-CG1 3.44Å; V72-V133 VanDerWaalsContact CG1-CG1 3.44Å; V72-V133 HydrophobicContact CG1-CG2 4.01Å; L76-V133 HydrophobicContact CD1-CG1 4.27Å; L76-V133 HydrophobicContact CD1-CG2 4.44Å; L76-V133 HydrophobicContact CD2-CG1 4.34Å; L76-V133 HydrophobicContact CG-CG1 4.48Å; L84-V133 HydrophobicContact CD1-CG2 4.4Å; L84-V133 HydrophobicContact CD2-CG2 4.44Å; E128-V133 PolarHBondContact O-N 3.21Å; E128-V133 VanDerWaalsContact O-N 3.12Å; L129-V133 HydrophobicContact CD2-CG2 4.18Å; V133-M135 PolarHBondContact O-N 3.49Å; V133-L136 PolarHBondContact O-N 2.74Å; V133-L136 VanDerWaalsContact O-N 3.17Å; V133-A137 PolarHBondContact O-N 2.75Å |
| 134 | P | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68 | -26.4 | -179.7 | -18.7 | 33.4 | 0 | 0 | 0 | 112.5 | Y48 N51 L52 L55 L129 | Y48-P134 HydrophobicContact CD2-CB 3.47Å; Y48-P134 VanDerWaalsContact CD2-CB 3.47Å; Y48-P134 HydrophobicContact CD2-CG 3.98Å; Y48-P134 HydrophobicContact CE2-CB 3.44Å; Y48-P134 VanDerWaalsContact CE2-CB 3.44Å; Y48-P134 HydrophobicContact CE2-CG 3.38Å; Y48-P134 HydrophobicContact CG-CB 4.16Å; N51-P134 HydrophobicContact CB-CB 4.25Å; N51-P134 WeakPolarHBondContact CB-O 3.48Å; N51-P134 PolarHBondContact ND2-O 2.79Å; L52-P134 HydrophobicContact CB-CB 4.5Å; L52-P134 HydrophobicContact CD1-CG 4.41Å; L55-P134 HydrophobicContact CD1-CB 3.74Å; L55-P134 HydrophobicContact CD1-CG 3.62Å; L129-P134 WeakPolarHBondContact O-CD 3.49Å |
| 135 | M | 91.2 | Very high | 92.9 | Very high | 20 Ų | 20 | 17.4 Ų | 17.4 | 10% | 0.099 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -74.4 | -38.1 | 173.5 | -56.4 | -47.7 | -52 | 0 | 0 | 111.7 | Y48 H132 V133 A137 D138 L141 V174 L178 | Y48-M135 HydrophobicContact CD2-CG 4.33Å; Y48-M135 HydrophobicContact CD2-SD 3.52Å; Y48-M135 VanDerWaalsContact CD2-SD 3.52Å; Y48-M135 HydrophobicContact CG-SD 4.08Å; H132-M135 WeakPolarHBondContact O-CB 3.43Å; H132-M135 PolarHBondContact O-N 3.19Å; V133-M135 PolarHBondContact O-N 3.49Å; M135-A137 PolarHBondContact O-N 3.37Å; M135-D138 PolarHBondContact O-N 3.25Å; M135-D138 VanDerWaalsContact O-N 3.07Å; M135-L141 HydrophobicContact CB-CD1 4.15Å; M135-L141 HydrophobicContact CE-CD1 3.01Å; M135-L141 HydrophobicContact CE-CG 4.46Å; M135-L141 WeakPolarHBondContact O-CB 3.44Å; M135-V174 HydrophobicContact CE-CB 4.46Å; M135-V174 HydrophobicContact CE-CG1 3.24Å; M135-L178 HydrophobicContact SD-CD1 3.62Å |
| 136 | L | 94.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.8 | -14.4 | 176.9 | -69.4 | 176 | 0 | 0 | 0 | 113.8 | L76 T80 F82 F105 H132 V133 D138 | L76-L136 HydrophobicContact CD1-CB 4.41Å; L76-L136 HydrophobicContact CD2-CB 4.05Å; T80-L136 WeakPolarHBondContact CB-O 3.35Å; T80-L136 VanDerWaalsContact CG2-O 3.26Å; T80-L136 WeakPolarHBondContact CG2-O 3.45Å; T80-L136 PolarHBondContact OG1-O 2.81Å; F82-L136 HydrophobicContact CD1-CD1 4.17Å; F82-L136 HydrophobicContact CD1-CD2 3.86Å; F82-L136 HydrophobicContact CE1-CD2 3.75Å; F82-L136 HydrophobicContact CE2-CD2 4.49Å; F82-L136 HydrophobicContact CG-CD2 4.26Å; F82-L136 HydrophobicContact CZ-CD2 4.08Å; F105-L136 HydrophobicContact CB-CD1 3.82Å; F105-L136 HydrophobicContact CD1-CD1 4.45Å; F105-L136 HydrophobicContact CD2-CD1 3.64Å; F105-L136 HydrophobicContact CE2-CD1 4.31Å; F105-L136 HydrophobicContact CG-CD1 3.72Å; H132-L136 WeakPolarHBondContact O-CG 3.25Å; H132-L136 PolarHBondContact O-N 3.5Å; V133-L136 PolarHBondContact O-N 2.74Å; V133-L136 VanDerWaalsContact O-N 3.17Å; L136-D138 VanDerWaalsContact C-N 3.35Å |
| 137 | A | 95.7 | Very high | 92.7 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 9% | 0.091 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N51 F75 L76 T80 V133 M135 | N51-A137 HydrophobicContact CB-CB 4.07Å; F75-A137 HydrophobicContact CE1-CB 4.12Å; L76-A137 HydrophobicContact CD2-CB 4.06Å; T80-A137 WeakPolarHBondContact CG2-O 3.49Å; V133-A137 PolarHBondContact O-N 2.75Å; M135-A137 PolarHBondContact O-N 3.37Å |
| 138 | D | 92.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 19 Ų | 19 | 9% | 0.086 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -87.5 | 128.5 | 170.1 | -177.3 | -71.2 | 0 | 0 | 0 | 109.8 | N51 M135 L136 R140 L141 A142 | N51-D138 PolarHBondContact ND2-N 2.87Å; M135-D138 PolarHBondContact O-N 3.25Å; M135-D138 VanDerWaalsContact O-N 3.07Å; L136-D138 VanDerWaalsContact C-N 3.35Å; D138-R140 VanDerWaalsContact C-N 3.32Å; D138-R140 PolarHBondContact O-N 3.18Å; D138-R140 WeakPolarHBondContact OD1-CB 3.34Å; D138-R140 PolarHBondContact OD1-N 2.96Å; D138-R140 IonicContact OD1-NE 2.86Å; D138-R140 PolarHBondContact OD1-NE 3.05Å; D138-R140 IonicContact OD2-NE 3.88Å; D138-R140 IonicContact OD2-NH2 2.81Å; D138-R140 PolarHBondContact OD2-NH2 3.39Å; D138-L141 HydrophobicContact CB-CB 4.27Å; D138-L141 HydrophobicContact CB-CD1 4.02Å; D138-L141 HydrophobicContact CB-CG 4.37Å; D138-L141 PolarHBondContact O-N 3.23Å; D138-L141 PolarHBondContact OD1-N 2.83Å; D138-A142 WeakPolarHBondContact O-CB 3.37Å; D138-A142 PolarHBondContact O-N 3.18Å |
| 139 | C | 93 | Very high | 92.9 | Very high | 72 Ų | 72 | 18.4 Ų | 18.4 | 49% | 0.486 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -58.4 | -40.3 | -176.4 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | L141 A142 D143 | C139-L141 PolarHBondContact O-N 2.96Å; C139-A142 WeakPolarHBondContact O-CB 3.39Å; C139-A142 PolarHBondContact O-N 3.21Å; C139-D143 WeakPolarHBondContact O-CB 3.26Å; C139-D143 PolarHBondContact O-N 2.89Å |
| 140 | R | 88.8 | Confident | 92.8 | Very high | 77 Ų | 77 | 20.1 Ų | 20.1 | 29% | 0.291 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -71.4 | -35.5 | -177 | -60.5 | 169 | -71.9 | -167.5 | -7.2 | 111.4 | D138 D143 L144 I224 E225 | D138-R140 VanDerWaalsContact C-N 3.32Å; D138-R140 PolarHBondContact O-N 3.18Å; D138-R140 WeakPolarHBondContact OD1-CB 3.34Å; D138-R140 PolarHBondContact OD1-N 2.96Å; D138-R140 IonicContact OD1-NE 2.86Å; D138-R140 PolarHBondContact OD1-NE 3.05Å; D138-R140 IonicContact OD2-NE 3.88Å; D138-R140 IonicContact OD2-NH2 2.81Å; D138-R140 PolarHBondContact OD2-NH2 3.39Å; R140-D143 PolarHBondContact O-N 3.49Å; R140-L144 VanDerWaalsContact O-CB 3.3Å; R140-L144 WeakPolarHBondContact O-CB 3.31Å; R140-L144 PolarHBondContact O-N 3.13Å; R140-I224 HydrophobicContact CB-CB 4.44Å; R140-I224 HydrophobicContact CB-CG2 3.68Å; R140-E225 WeakPolarHBondContact CD-OE1 3.11Å; R140-E225 IonicContact CZ-OE1 3.82Å; R140-E225 IonicContact NE-OE1 2.72Å; R140-E225 IonicContact NH1-OE1 3.51Å; R140-E225 PolarHBondContact NH1-OE1 3.32Å; R140-E225 IonicContact NH1-OE2 3.85Å |
| 141 | L | 89.1 | Confident | 92.8 | Very high | 8 Ų | 8 | 20.2 Ų | 20.2 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -76.5 | -32.3 | 177 | -69.4 | 170.4 | 0 | 0 | 0 | 112.8 | M135 D138 C139 L144 S145 V174 I224 | M135-L141 HydrophobicContact CB-CD1 4.15Å; M135-L141 HydrophobicContact CE-CD1 3.01Å; M135-L141 HydrophobicContact CE-CG 4.46Å; M135-L141 WeakPolarHBondContact O-CB 3.44Å; D138-L141 HydrophobicContact CB-CB 4.27Å; D138-L141 HydrophobicContact CB-CD1 4.02Å; D138-L141 HydrophobicContact CB-CG 4.37Å; D138-L141 PolarHBondContact O-N 3.23Å; D138-L141 PolarHBondContact OD1-N 2.83Å; C139-L141 PolarHBondContact O-N 2.96Å; L141-L144 HydrophobicContact CD2-CD2 3.98Å; L141-S145 VanDerWaalsContact O-CB 3.28Å; L141-S145 WeakPolarHBondContact O-CB 3.32Å; L141-S145 PolarHBondContact O-N 3.46Å; L141-S145 PolarHBondContact O-OG 3.36Å; L141-V174 HydrophobicContact CD1-CG1 3.72Å; L141-V174 HydrophobicContact CD2-CB 4.28Å; L141-V174 HydrophobicContact CD2-CG1 3.8Å; L141-V174 HydrophobicContact CD2-CG2 3.74Å; L141-V174 HydrophobicContact CG-CG1 4.43Å; L141-I224 HydrophobicContact CD1-CD1 4.04Å; L141-I224 HydrophobicContact CD2-CD1 3.89Å; L141-I224 HydrophobicContact CD2-CG1 3.89Å; L141-I224 HydrophobicContact CD2-CG2 3.82Å; L141-I224 HydrophobicContact CG-CD1 3.77Å; L141-I224 HydrophobicContact CG-CG1 4.33Å; L141-I224 HydrophobicContact CG-CG2 4.24Å |
| 142 | A | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T80 F82 D138 C139 S145 Q146 | T80-A142 HydrophobicContact CG2-CB 4.01Å; F82-A142 HydrophobicContact CD2-CB 3.6Å; F82-A142 HydrophobicContact CE2-CB 3.63Å; F82-A142 VanDerWaalsContact CE2-O 3.31Å; F82-A142 WeakPolarHBondContact CE2-O 3.43Å; D138-A142 WeakPolarHBondContact O-CB 3.37Å; D138-A142 PolarHBondContact O-N 3.18Å; C139-A142 WeakPolarHBondContact O-CB 3.39Å; C139-A142 PolarHBondContact O-N 3.21Å; A142-S145 PolarHBondContact O-N 2.87Å; A142-Q146 WeakPolarHBondContact O-CB 3.29Å; A142-Q146 PolarHBondContact O-N 3.47Å |
| 143 | D | 91.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 20.2 Ų | 20.2 | 39% | 0.385 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 177.9 | -67 | -13.5 | 0 | 0 | 0 | 111.6 | R103 C139 R140 S145 Q146 L147 | R103-D143 IonicContact CZ-OD1 2.8Å; R103-D143 IonicContact NH1-OD1 3.37Å; R103-D143 PolarHBondContact NH1-OD1 2.76Å; R103-D143 IonicContact NH2-OD1 2.77Å; R103-D143 PolarHBondContact NH2-OD1 3.46Å; C139-D143 WeakPolarHBondContact O-CB 3.26Å; C139-D143 PolarHBondContact O-N 2.89Å; R140-D143 PolarHBondContact O-N 3.49Å; D143-S145 VanDerWaalsContact C-N 3.35Å; D143-S145 PolarHBondContact O-N 3.49Å; D143-Q146 PolarHBondContact O-N 2.72Å; D143-L147 WeakPolarHBondContact O-CB 3.29Å; D143-L147 PolarHBondContact O-N 2.65Å |
| 144 | L | 90.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56 | -47.4 | 173.6 | 176.9 | 65.9 | 0 | 0 | 0 | 111.9 | R140 L141 Q146 L147 I148 I224 I228 L231 | R140-L144 VanDerWaalsContact O-CB 3.3Å; R140-L144 WeakPolarHBondContact O-CB 3.31Å; R140-L144 PolarHBondContact O-N 3.13Å; L141-L144 HydrophobicContact CD2-CD2 3.98Å; L144-Q146 VanDerWaalsContact C-N 3.33Å; L144-Q146 PolarHBondContact O-N 3.44Å; L144-L147 PolarHBondContact O-N 2.89Å; L144-I148 HydrophobicContact CD1-CD1 4.4Å; L144-I148 HydrophobicContact CG-CD1 4.38Å; L144-I148 WeakPolarHBondContact O-CG1 3.09Å; L144-I148 PolarHBondContact O-N 3.32Å; L144-I148 VanDerWaalsContact O-N 3.11Å; L144-I224 HydrophobicContact CD2-CG2 4.44Å; L144-I228 HydrophobicContact CB-CD1 4.35Å; L144-I228 HydrophobicContact CB-CG1 3.91Å; L144-I228 HydrophobicContact CD1-CG1 3.76Å; L144-I228 HydrophobicContact CG-CG1 4.39Å; L144-L231 HydrophobicContact CD1-CD1 3.39Å |
| 145 | S | 93.2 | Very high | 93.2 | Very high | 17 Ų | 17 | 22.4 Ų | 22.4 | 12% | 0.119 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.3 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | L141 A142 D143 G149 | L141-S145 VanDerWaalsContact O-CB 3.28Å; L141-S145 WeakPolarHBondContact O-CB 3.32Å; L141-S145 PolarHBondContact O-N 3.46Å; L141-S145 PolarHBondContact O-OG 3.36Å; A142-S145 PolarHBondContact O-N 2.87Å; D143-S145 VanDerWaalsContact C-N 3.35Å; D143-S145 PolarHBondContact O-N 3.49Å; S145-G149 PolarHBondContact O-N 3.32Å; S145-G149 VanDerWaalsContact O-N 3.15Å |
| 146 | Q | 94.7 | Very high | 93.4 | Very high | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.065 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.1 | -41.7 | 176.7 | -175.7 | 176.4 | 32.1 | 0 | 0 | 111.9 | L100 A101 R103 A142 D143 L144 I148 G149 L150 | L100-Q146 WeakPolarHBondContact O-CA 3.27Å; A101-Q146 PolarHBondContact O-NE2 3.16Å; R103-Q146 HydrophobicContact CG-CB 4.3Å; R103-Q146 HydrophobicContact CG-CG 4.2Å; R103-Q146 VanDerWaalsContact CZ-OE1 3.29Å; A142-Q146 WeakPolarHBondContact O-CB 3.29Å; A142-Q146 PolarHBondContact O-N 3.47Å; D143-Q146 PolarHBondContact O-N 2.72Å; L144-Q146 VanDerWaalsContact C-N 3.33Å; L144-Q146 PolarHBondContact O-N 3.44Å; Q146-I148 VanDerWaalsContact C-N 3.32Å; Q146-I148 PolarHBondContact O-N 3Å; Q146-G149 CarbonylContact O-C 3.59Å; Q146-G149 WeakPolarHBondContact O-CA 3.41Å; Q146-G149 PolarHBondContact O-N 2.82Å; Q146-G149 VanDerWaalsContact O-N 3.08Å; Q146-L150 HydrophobicContact CG-CD1 3.99Å; Q146-L150 HydrophobicContact CG-CG 4.24Å; Q146-L150 WeakPolarHBondContact O-CG 3.26Å; Q146-L150 PolarHBondContact O-N 2.89Å |
| 147 | L | 92.4 | Very high | 93.4 | Very high | 33 Ų | 33 | 29 Ų | 29 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.5 | -47.7 | 177.8 | 173.5 | 67.9 | 0 | 0 | 0 | 111.1 | D143 L144 G149 L150 A151 I228 L231 E232 | D143-L147 WeakPolarHBondContact O-CB 3.29Å; D143-L147 PolarHBondContact O-N 2.65Å; L144-L147 PolarHBondContact O-N 2.89Å; L147-G149 VanDerWaalsContact C-N 3.3Å; L147-G149 PolarHBondContact O-N 3.25Å; L147-L150 PolarHBondContact O-N 3.26Å; L147-A151 WeakPolarHBondContact O-CB 3.48Å; L147-A151 PolarHBondContact O-N 3.44Å; L147-I228 HydrophobicContact CD2-CG2 4.12Å; L147-L231 HydrophobicContact CD2-CB 4.14Å; L147-E232 HydrophobicContact CD1-CG 3.82Å; L147-E232 HydrophobicContact CD2-CB 4.49Å; L147-E232 HydrophobicContact CD2-CG 3.43Å; L147-E232 VanDerWaalsContact CD2-CG 3.43Å; L147-E232 HydrophobicContact CG-CG 4.26Å |
| 148 | I | 92.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.6 | -66.4 | 171.8 | 0 | 0 | 0 | 110.2 | L97 L144 Q146 A151 S152 I163 L167 L231 | L97-I148 HydrophobicContact CD2-CG2 3.8Å; L144-I148 HydrophobicContact CD1-CD1 4.4Å; L144-I148 HydrophobicContact CG-CD1 4.38Å; L144-I148 WeakPolarHBondContact O-CG1 3.09Å; L144-I148 PolarHBondContact O-N 3.32Å; L144-I148 VanDerWaalsContact O-N 3.11Å; Q146-I148 VanDerWaalsContact C-N 3.32Å; Q146-I148 PolarHBondContact O-N 3Å; I148-A151 PolarHBondContact O-N 3.03Å; I148-S152 PolarHBondContact O-N 3.32Å; I148-I163 HydrophobicContact CG2-CG2 3.46Å; I148-I163 VanDerWaalsContact CG2-CG2 3.46Å; I148-L167 HydrophobicContact CD1-CB 4.37Å; I148-L167 HydrophobicContact CD1-CD1 3.56Å; I148-L167 HydrophobicContact CG2-CB 3.97Å; I148-L167 HydrophobicContact CG2-CD1 4.17Å; I148-L167 HydrophobicContact CG2-CD2 4.4Å; I148-L167 HydrophobicContact CG2-CG 4.4Å; I148-L231 HydrophobicContact CD1-CD1 3.95Å; I148-L231 HydrophobicContact CG1-CD1 4.06Å; I148-L231 HydrophobicContact CG1-CD2 4.5Å |
| 149 | G | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.1 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L97 S145 Q146 L147 A151 S152 | L97-G149 WeakPolarHBondContact O-CA 3.42Å; S145-G149 PolarHBondContact O-N 3.32Å; S145-G149 VanDerWaalsContact O-N 3.15Å; Q146-G149 CarbonylContact O-C 3.59Å; Q146-G149 WeakPolarHBondContact O-CA 3.41Å; Q146-G149 PolarHBondContact O-N 2.82Å; Q146-G149 VanDerWaalsContact O-N 3.08Å; L147-G149 VanDerWaalsContact C-N 3.3Å; L147-G149 PolarHBondContact O-N 3.25Å; G149-A151 VanDerWaalsContact C-N 3.32Å; G149-A151 PolarHBondContact O-N 3.48Å; G149-S152 WeakPolarHBondContact O-CB 3.2Å; G149-S152 PolarHBondContact O-N 2.83Å; G149-S152 VanDerWaalsContact O-N 3.16Å; G149-S152 PolarHBondContact O-OG 3.31Å |
| 150 | L | 94.7 | Very high | 93.6 | Very high | 36 Ų | 36 | 31.7 Ų | 31.7 | 19% | 0.188 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 178 | -72.6 | 168.5 | 0 | 0 | 0 | 112.3 | A101 Q146 L147 S152 L153 F244 L253 | A101-L150 HydrophobicContact CB-CD2 4.13Å; A101-L150 HydrophobicContact CB-CG 4.29Å; Q146-L150 HydrophobicContact CG-CD1 3.99Å; Q146-L150 HydrophobicContact CG-CG 4.24Å; Q146-L150 WeakPolarHBondContact O-CG 3.26Å; Q146-L150 PolarHBondContact O-N 2.89Å; L147-L150 PolarHBondContact O-N 3.26Å; L150-S152 PolarHBondContact O-N 3.44Å; L150-L153 HydrophobicContact CD2-CD1 4.08Å; L150-L153 PolarHBondContact O-N 3.14Å; L150-F244 HydrophobicContact CD2-CB 4.48Å; L150-L253 HydrophobicContact CD2-CD2 3.54Å |
| 151 | A | 93.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -29.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L147 I148 G149 L153 V155 I163 A235 | L147-A151 WeakPolarHBondContact O-CB 3.48Å; L147-A151 PolarHBondContact O-N 3.44Å; I148-A151 PolarHBondContact O-N 3.03Å; G149-A151 VanDerWaalsContact C-N 3.32Å; G149-A151 PolarHBondContact O-N 3.48Å; A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 3.37Å; A151-V155 WeakPolarHBondContact O-CG1 3.46Å; A151-I163 HydrophobicContact CB-CD1 4.28Å; A151-A235 HydrophobicContact CB-CB 3.65Å |
| 152 | S | 95.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.1 | -179.8 | 80.6 | 0 | 0 | 0 | 0 | 114.7 | L97 I148 G149 L150 G154 | L97-S152 VanDerWaalsContact CB-OG 3.23Å; L97-S152 WeakPolarHBondContact CB-OG 3.47Å; I148-S152 PolarHBondContact O-N 3.32Å; G149-S152 WeakPolarHBondContact O-CB 3.2Å; G149-S152 PolarHBondContact O-N 2.83Å; G149-S152 VanDerWaalsContact O-N 3.16Å; G149-S152 PolarHBondContact O-OG 3.31Å; L150-S152 PolarHBondContact O-N 3.44Å; S152-G154 PolarHBondContact O-N 3.49Å |
| 153 | L | 95.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 123.1 | -173.6 | -58.6 | -179.4 | 0 | 0 | 0 | 111 | A98 A101 L150 A151 V155 F244 L253 | A98-L153 HydrophobicContact CB-CD2 4.21Å; A101-L153 HydrophobicContact CB-CD1 3.94Å; A101-L153 HydrophobicContact CB-CD2 4.19Å; A101-L153 HydrophobicContact CB-CG 4.23Å; L150-L153 HydrophobicContact CD2-CD1 4.08Å; L150-L153 PolarHBondContact O-N 3.14Å; A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 3.37Å; L153-V155 PolarHBondContact O-N 3.03Å; L153-F244 HydrophobicContact CB-CD2 3.56Å; L153-F244 HydrophobicContact CB-CE1 4.4Å; L153-F244 HydrophobicContact CB-CE2 3.39Å; L153-F244 HydrophobicContact CB-CG 4.19Å; L153-F244 HydrophobicContact CB-CZ 3.85Å; L153-F244 HydrophobicContact CD1-CB 4.03Å; L153-F244 HydrophobicContact CD1-CD1 3.93Å; L153-F244 HydrophobicContact CD1-CD2 3.91Å; L153-F244 HydrophobicContact CD1-CE1 4.35Å; L153-F244 HydrophobicContact CD1-CE2 4.38Å; L153-F244 HydrophobicContact CD1-CG 3.69Å; L153-F244 HydrophobicContact CG-CD2 4.42Å; L153-L253 HydrophobicContact CD1-CD1 3.6Å; L153-L253 HydrophobicContact CD1-CD2 4.1Å; L153-L253 HydrophobicContact CD1-CG 4.45Å |
| 154 | G | 93.1 | Very high | 94.1 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 40% | 0.402 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 5.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S152 P241 | S152-G154 PolarHBondContact O-N 3.49Å; G154-P241 VanDerWaalsContact O-CD 3.25Å; G154-P241 WeakPolarHBondContact O-CD 3.3Å |
| 155 | V | 95.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | trans | -87.4 | 165.4 | 174.1 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | R94 A151 L153 D159 V160 I163 L238 R240 | R94-V155 PolarHBondContact NH1-O 2.8Å; R94-V155 PolarHBondContact NH2-O 3.05Å; A151-V155 WeakPolarHBondContact O-CG1 3.46Å; L153-V155 PolarHBondContact O-N 3.03Å; V155-D159 HydrophobicContact CB-CB 3.91Å; V155-D159 HydrophobicContact CG2-CB 3.78Å; V155-V160 HydrophobicContact CG2-CG2 3.78Å; V155-I163 HydrophobicContact CG2-CD1 4.06Å; V155-L238 HydrophobicContact CG1-CB 4.21Å; V155-L238 HydrophobicContact CG1-CD1 4.39Å; V155-R240 HydrophobicContact CG1-CB 4.1Å | ||
| 156 | S | 95.8 | Very high | 94 | Very high | 52 Ų | 52 | 31.9 Ų | 31.9 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | trans | -59.9 | 161 | 177.8 | 71.6 | 0 | 0 | 0 | 0 | 112.5 | R94 E158 D159 V160 | R94-S156 PolarHBondContact NH2-O 3.19Å; S156-E158 PolarHBondContact O-N 2.86Å; S156-D159 PolarHBondContact O-N 3.18Å; S156-D159 WeakPolarHBondContact OG-CB 3.48Å; S156-D159 PolarHBondContact OG-N 2.91Å; S156-D159 PolarHBondContact OG-OD2 3.28Å; S156-V160 WeakPolarHBondContact O-CG2 3.44Å; S156-V160 PolarHBondContact O-N 3.29Å | ||
| 157 | D | 94.7 | Very high | 93.4 | Very high | 112 Ų | 112 | 31.7 Ų | 31.7 | 60% | 0.599 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.6 | -34.7 | 173.6 | -71.5 | -33.7 | 0 | 0 | 0 | 111.4 | R94 D159 V160 E161 | R94-D157 IonicContact CZ-OD1 2.82Å; R94-D157 IonicContact NE-OD1 3.8Å; R94-D157 PolarHBondContact NE-OD1 3.41Å; R94-D157 IonicContact NH2-OD1 3.72Å; R94-D157 PolarHBondContact NH2-OD1 2.88Å; D157-D159 PolarHBondContact O-N 3.19Å; D157-V160 WeakPolarHBondContact O-CB 3.46Å; D157-V160 PolarHBondContact O-N 2.96Å; D157-E161 PolarHBondContact O-N 2.92Å |
| 158 | E | 94.7 | Very high | 93 | Very high | 128 Ų | 128 | 31.1 Ų | 31.1 | 60% | 0.598 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -60.2 | -45 | 174.5 | -170.1 | -166.5 | 147.7 | 0 | 0 | 112 | S156 V160 E161 K162 | S156-E158 PolarHBondContact O-N 2.86Å; E158-V160 VanDerWaalsContact C-N 3.35Å; E158-E161 PolarHBondContact O-N 3.41Å; E158-K162 PolarHBondContact O-N 3.49Å; E158-K162 VanDerWaalsContact O-N 3.11Å; E158-K162 WeakPolarHBondContact OE1-CE 3.27Å; E158-K162 IonicContact OE1-NZ 3.93Å; E158-K162 PolarHBondContact OE1-NZ 2.86Å |
| 159 | D | 95.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.2 | -30.7 | 178.2 | -64.3 | -40.3 | 0 | 0 | 0 | 112 | V155 S156 D157 E161 K162 I163 L238 | V155-D159 HydrophobicContact CB-CB 3.91Å; V155-D159 HydrophobicContact CG2-CB 3.78Å; S156-D159 PolarHBondContact O-N 3.18Å; S156-D159 WeakPolarHBondContact OG-CB 3.48Å; S156-D159 PolarHBondContact OG-N 2.91Å; S156-D159 PolarHBondContact OG-OD2 3.28Å; D157-D159 PolarHBondContact O-N 3.19Å; D159-E161 VanDerWaalsContact C-N 3.33Å; D159-K162 WeakPolarHBondContact O-CB 3.18Å; D159-K162 PolarHBondContact O-N 3.4Å; D159-K162 IonicContact OD1-NZ 3.6Å; D159-K162 PolarHBondContact OD1-NZ 2.76Å; D159-I163 WeakPolarHBondContact O-CD1 3.24Å; D159-I163 WeakPolarHBondContact O-CG1 3.4Å; D159-I163 PolarHBondContact O-N 3.46Å; D159-L238 HydrophobicContact CB-CD2 4.27Å |
| 160 | V | 95.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 170.5 | 162.7 | 0 | 0 | 0 | 0 | 111 | P93 R94 L97 V155 S156 D157 E158 I163 A164 | P93-V160 HydrophobicContact CB-CG1 3.9Å; R94-V160 HydrophobicContact CB-CG1 4.11Å; R94-V160 VanDerWaalsContact CZ-CG2 3.49Å; L97-V160 HydrophobicContact CD1-CG1 4.17Å; V155-V160 HydrophobicContact CG2-CG2 3.78Å; S156-V160 WeakPolarHBondContact O-CG2 3.44Å; S156-V160 PolarHBondContact O-N 3.29Å; D157-V160 WeakPolarHBondContact O-CB 3.46Å; D157-V160 PolarHBondContact O-N 2.96Å; E158-V160 VanDerWaalsContact C-N 3.35Å; V160-I163 PolarHBondContact O-N 3.3Å; V160-A164 VanDerWaalsContact O-CB 3.3Å; V160-A164 WeakPolarHBondContact O-CB 3.39Å; V160-A164 PolarHBondContact O-N 3.35Å |
| 161 | E | 94 | Very high | 90.3 | Very high | 99 Ų | 99 | 32 Ų | 32 | 46% | 0.463 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.7 | -68.7 | -57.2 | 150.5 | 0 | 0 | 112 | D157 E158 D159 I163 A164 T165 | D157-E161 PolarHBondContact O-N 2.92Å; E158-E161 PolarHBondContact O-N 3.41Å; D159-E161 VanDerWaalsContact C-N 3.33Å; E161-I163 PolarHBondContact O-N 2.79Å; E161-A164 PolarHBondContact O-N 2.76Å; E161-T165 WeakPolarHBondContact O-CB 3.24Å; E161-T165 PolarHBondContact O-N 2.85Å; E161-T165 PolarHBondContact O-OG1 2.65Å |
| 162 | K | 94.3 | Very high | 89.1 | Confident | 48 Ų | 48 | 32.8 Ų | 32.8 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 172.9 | -76 | 176.4 | -165.2 | 156.8 | 0 | 112.2 | E158 D159 T165 N166 S205 F234 | E158-K162 PolarHBondContact O-N 3.49Å; E158-K162 VanDerWaalsContact O-N 3.11Å; E158-K162 WeakPolarHBondContact OE1-CE 3.27Å; E158-K162 IonicContact OE1-NZ 3.93Å; E158-K162 PolarHBondContact OE1-NZ 2.86Å; D159-K162 WeakPolarHBondContact O-CB 3.18Å; D159-K162 PolarHBondContact O-N 3.4Å; D159-K162 IonicContact OD1-NZ 3.6Å; D159-K162 PolarHBondContact OD1-NZ 2.76Å; K162-T165 PolarHBondContact O-N 2.75Å; K162-N166 PolarHBondContact O-N 3.42Å; K162-S205 WeakPolarHBondContact O-CB 3.3Å; K162-F234 HydrophobicContact CB-CZ 4.33Å |
| 163 | I | 93.5 | Very high | 87.3 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.1 | -65.9 | 162.3 | 0 | 0 | 0 | 111 | L97 I148 A151 V155 D159 V160 E161 T165 N166 L167 F234 L238 | L97-I163 HydrophobicContact CD1-CB 4.24Å; L97-I163 HydrophobicContact CD1-CG2 3.83Å; L97-I163 HydrophobicContact CD2-CG2 4.29Å; I148-I163 HydrophobicContact CG2-CG2 3.46Å; I148-I163 VanDerWaalsContact CG2-CG2 3.46Å; A151-I163 HydrophobicContact CB-CD1 4.28Å; V155-I163 HydrophobicContact CG2-CD1 4.06Å; D159-I163 WeakPolarHBondContact O-CD1 3.24Å; D159-I163 WeakPolarHBondContact O-CG1 3.4Å; D159-I163 PolarHBondContact O-N 3.46Å; V160-I163 PolarHBondContact O-N 3.3Å; E161-I163 PolarHBondContact O-N 2.79Å; I163-T165 VanDerWaalsContact C-N 3.29Å; I163-T165 PolarHBondContact O-N 3.13Å; I163-N166 WeakPolarHBondContact O-CB 3.5Å; I163-N166 PolarHBondContact O-N 3.16Å; I163-L167 PolarHBondContact O-N 3.13Å; I163-F234 HydrophobicContact CG1-CE1 4.1Å; I163-L238 HydrophobicContact CD1-CD1 3.7Å; I163-L238 HydrophobicContact CG1-CD1 4.08Å |
| 164 | A | 91.5 | Very high | 85.2 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P93 L97 V160 E161 L167 A168 | P93-A164 HydrophobicContact CB-CB 3.92Å; L97-A164 HydrophobicContact CD1-CB 4.29Å; V160-A164 VanDerWaalsContact O-CB 3.3Å; V160-A164 WeakPolarHBondContact O-CB 3.39Å; V160-A164 PolarHBondContact O-N 3.35Å; E161-A164 PolarHBondContact O-N 2.76Å; A164-L167 WeakPolarHBondContact O-CB 3.25Å; A164-L167 PolarHBondContact O-N 3.43Å; A164-A168 WeakPolarHBondContact O-CB 3.5Å; A164-A168 PolarHBondContact O-N 3.27Å |
| 165 | T | 90.8 | Very high | 83 | Confident | 16 Ų | 16 | 32.3 Ų | 32.3 | 10% | 0.098 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 174.5 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | E161 K162 I163 L167 A168 Y169 T204 Y209 | E161-T165 WeakPolarHBondContact O-CB 3.24Å; E161-T165 PolarHBondContact O-N 2.85Å; E161-T165 PolarHBondContact O-OG1 2.65Å; K162-T165 PolarHBondContact O-N 2.75Å; I163-T165 VanDerWaalsContact C-N 3.29Å; I163-T165 PolarHBondContact O-N 3.13Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.5Å; T165-A168 WeakPolarHBondContact O-CB 3.43Å; T165-A168 PolarHBondContact O-N 3.42Å; T165-A168 VanDerWaalsContact O-N 3.14Å; T165-Y169 HydrophobicContact CG2-CD2 3.94Å; T165-Y169 HydrophobicContact CG2-CE2 3.91Å; T165-Y169 WeakPolarHBondContact O-CD2 3.17Å; T165-Y169 PolarHBondContact O-N 3.31Å; T165-T204 WeakPolarHBondContact CG2-O 3.33Å; T165-Y209 HydrophobicContact CG2-CD1 4.24Å; T165-Y209 HydrophobicContact CG2-CE1 4.18Å |
| 166 | N | 89.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.1 | -45.8 | 172 | -90.2 | -39 | 0 | 0 | 0 | 112.4 | K162 I163 A168 Y169 A170 P201 T204 S205 L231 | K162-N166 PolarHBondContact O-N 3.42Å; I163-N166 WeakPolarHBondContact O-CB 3.5Å; I163-N166 PolarHBondContact O-N 3.16Å; N166-A168 PolarHBondContact O-N 3.35Å; N166-Y169 PolarHBondContact O-N 3.15Å; N166-A170 WeakPolarHBondContact O-CB 3.43Å; N166-A170 PolarHBondContact O-N 2.72Å; N166-P201 PolarHBondContact ND2-O 3.46Å; N166-P201 VanDerWaalsContact OD1-CA 3.23Å; N166-P201 WeakPolarHBondContact OD1-CA 2.85Å; N166-P201 PolarHBondContact OD1-O 3.24Å; N166-T204 VanDerWaalsContact OD1-CB 3.31Å; N166-T204 WeakPolarHBondContact OD1-CB 3.29Å; N166-S205 WeakPolarHBondContact ND2-CB 3.25Å; N166-L231 HydrophobicContact CB-CD2 4.19Å |
| 167 | L | 83.7 | Confident | 77.7 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 176.8 | -177.5 | 63.8 | 0 | 0 | 0 | 112.1 | F96 L97 L100 I148 I163 A164 T165 Y169 A170 K171 | F96-L167 HydrophobicContact CD1-CD2 4.28Å; F96-L167 HydrophobicContact CE1-CD2 3.87Å; L97-L167 HydrophobicContact CD2-CD2 3.59Å; L100-L167 HydrophobicContact CD1-CD1 4.45Å; L100-L167 HydrophobicContact CD1-CD2 3.68Å; I148-L167 HydrophobicContact CD1-CB 4.37Å; I148-L167 HydrophobicContact CD1-CD1 3.56Å; I148-L167 HydrophobicContact CG2-CB 3.97Å; I148-L167 HydrophobicContact CG2-CD1 4.17Å; I148-L167 HydrophobicContact CG2-CD2 4.4Å; I148-L167 HydrophobicContact CG2-CG 4.4Å; I163-L167 PolarHBondContact O-N 3.13Å; A164-L167 WeakPolarHBondContact O-CB 3.25Å; A164-L167 PolarHBondContact O-N 3.43Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.5Å; L167-Y169 VanDerWaalsContact C-N 3.32Å; L167-Y169 PolarHBondContact O-N 3.43Å; L167-A170 PolarHBondContact O-N 3.08Å; L167-K171 HydrophobicContact CD1-CD 4.1Å; L167-K171 HydrophobicContact CD1-CG 3.95Å; L167-K171 HydrophobicContact CG-CD 3.94Å; L167-K171 HydrophobicContact CG-CG 4.22Å; L167-K171 VanDerWaalsContact O-CB 3.27Å; L167-K171 WeakPolarHBondContact O-CB 3.33Å; L167-K171 VanDerWaalsContact O-CG 3.24Å; L167-K171 WeakPolarHBondContact O-CG 3.33Å; L167-K171 PolarHBondContact O-N 3.15Å |
| 168 | A | 83.4 | Confident | 74.8 | Confident | 21 Ų | 21 | 30.7 Ų | 30.7 | 17% | 0.174 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A164 T165 N166 R172 | A164-A168 WeakPolarHBondContact O-CB 3.5Å; A164-A168 PolarHBondContact O-N 3.27Å; T165-A168 WeakPolarHBondContact O-CB 3.43Å; T165-A168 PolarHBondContact O-N 3.42Å; T165-A168 VanDerWaalsContact O-N 3.14Å; N166-A168 PolarHBondContact O-N 3.35Å; A168-R172 VanDerWaalsContact O-CD 3.24Å; A168-R172 WeakPolarHBondContact O-CD 3.42Å; A168-R172 WeakPolarHBondContact O-CG 2.96Å; A168-R172 PolarHBondContact O-N 3.46Å |
| 169 | Y | 81.3 | Confident | 72 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73 | -43.4 | 174.5 | -79.2 | -73.7 | 0 | 0 | 0 | 112.8 | T165 N166 L167 K171 R172 M173 T204 T207 K208 Y209 F219 | T165-Y169 HydrophobicContact CG2-CD2 3.94Å; T165-Y169 HydrophobicContact CG2-CE2 3.91Å; T165-Y169 WeakPolarHBondContact O-CD2 3.17Å; T165-Y169 PolarHBondContact O-N 3.31Å; N166-Y169 PolarHBondContact O-N 3.15Å; L167-Y169 VanDerWaalsContact C-N 3.32Å; L167-Y169 PolarHBondContact O-N 3.43Å; Y169-K171 PolarHBondContact O-N 2.81Å; Y169-R172 CarbonylContact O-C 3.53Å; Y169-R172 WeakPolarHBondContact O-CA 3.23Å; Y169-R172 WeakPolarHBondContact O-CB 2.73Å; Y169-R172 PolarHBondContact O-N 3.24Å; Y169-M173 VanDerWaalsContact O-CG 3.25Å; Y169-M173 WeakPolarHBondContact O-CG 3.45Å; Y169-M173 PolarHBondContact O-N 3.39Å; Y169-T204 HydrophobicContact CD1-CG2 4.49Å; Y169-T204 HydrophobicContact CD2-CG2 3.42Å; Y169-T204 VanDerWaalsContact CD2-CG2 3.42Å; Y169-T204 HydrophobicContact CE2-CG2 4.28Å; Y169-T204 HydrophobicContact CG-CG2 3.53Å; Y169-T207 HydrophobicContact CE2-CG2 4.23Å; Y169-T207 VanDerWaalsContact OH-CG2 3.29Å; Y169-T207 WeakPolarHBondContact OH-CG2 3.43Å; Y169-K208 PolarHBondContact OH-O 3.24Å; Y169-Y209 HydrophobicContact CE2-CD1 4.2Å; Y169-F219 AromaticContact CD1-CD2 3.53Å; Y169-F219 HydrophobicContact CD1-CD2 3.53Å; Y169-F219 AromaticContact CD1-CE2 3.96Å; Y169-F219 HydrophobicContact CD1-CE2 3.96Å; Y169-F219 HydrophobicContact CD2-CD2 4.46Å; Y169-F219 HydrophobicContact CD2-CE2 4.42Å; Y169-F219 AromaticContact CE1-CD2 3.86Å; Y169-F219 HydrophobicContact CE1-CD2 3.86Å; Y169-F219 AromaticContact CE1-CE2 3.87Å; Y169-F219 HydrophobicContact CE1-CE2 3.87Å; Y169-F219 HydrophobicContact CE2-CE2 4.35Å; Y169-F219 AromaticContact CG-CD2 3.84Å; Y169-F219 HydrophobicContact CG-CD2 3.84Å; Y169-F219 HydrophobicContact CG-CE2 4.22Å |
| 170 | A | 76.4 | Confident | 69.2 | Low | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N166 L167 R172 M173 V174 | N166-A170 WeakPolarHBondContact O-CB 3.43Å; N166-A170 PolarHBondContact O-N 2.72Å; L167-A170 PolarHBondContact O-N 3.08Å; A170-R172 VanDerWaalsContact C-N 3.25Å; A170-R172 PolarHBondContact O-N 2.91Å; A170-M173 HydrophobicContact CB-SD 4.42Å; A170-M173 WeakPolarHBondContact O-CB 3.48Å; A170-M173 PolarHBondContact O-N 3.29Å; A170-M173 VanDerWaalsContact O-N 3.13Å; A170-V174 PolarHBondContact O-N 3.38Å; A170-V174 VanDerWaalsContact O-N 3.15Å |
| 171 | K | 69.4 | Low | 66.5 | Low | 51 Ų | 51 | 26.7 Ų | 26.7 | 22% | 0.222 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.7 | -43.2 | 171.5 | -75.9 | 175.9 | 171.5 | -168.9 | 0 | 110.6 | L167 Y169 A175 | L167-K171 HydrophobicContact CD1-CD 4.1Å; L167-K171 HydrophobicContact CD1-CG 3.95Å; L167-K171 HydrophobicContact CG-CD 3.94Å; L167-K171 HydrophobicContact CG-CG 4.22Å; L167-K171 VanDerWaalsContact O-CB 3.27Å; L167-K171 WeakPolarHBondContact O-CB 3.33Å; L167-K171 VanDerWaalsContact O-CG 3.24Å; L167-K171 WeakPolarHBondContact O-CG 3.33Å; L167-K171 PolarHBondContact O-N 3.15Å; Y169-K171 PolarHBondContact O-N 2.81Å; K171-A175 WeakPolarHBondContact O-CA 3.39Å; K171-A175 WeakPolarHBondContact O-CB 2.86Å; K171-A175 PolarHBondContact O-N 2.94Å |
| 172 | R | 66.9 | Low | 64 | Low | 22 Ų | 22 | 23 Ų | 23 | 8% | 0.083 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.3 | -28.4 | 176.9 | -69.2 | 164.3 | -171.7 | -175.8 | 0.6 | 113.6 | A168 Y169 A170 A175 Q176 L179 D211 | A168-R172 VanDerWaalsContact O-CD 3.24Å; A168-R172 WeakPolarHBondContact O-CD 3.42Å; A168-R172 WeakPolarHBondContact O-CG 2.96Å; A168-R172 PolarHBondContact O-N 3.46Å; Y169-R172 CarbonylContact O-C 3.53Å; Y169-R172 WeakPolarHBondContact O-CA 3.23Å; Y169-R172 WeakPolarHBondContact O-CB 2.73Å; Y169-R172 PolarHBondContact O-N 3.24Å; A170-R172 VanDerWaalsContact C-N 3.25Å; A170-R172 PolarHBondContact O-N 2.91Å; R172-A175 CarbonylContact O-C 3.52Å; R172-A175 PolarHBondContact O-N 2.75Å; R172-Q176 WeakPolarHBondContact O-CA 2.87Å; R172-Q176 WeakPolarHBondContact O-CG 3.48Å; R172-Q176 PolarHBondContact O-N 3.15Å; R172-L179 HydrophobicContact CB-CD1 4.27Å; R172-L179 HydrophobicContact CG-CD1 3.52Å; R172-D211 IonicContact NH2-OD1 2.8Å; R172-D211 PolarHBondContact NH2-OD1 3.32Å |
| 173 | M | 58.1 | Low | 61.5 | Low | 15 Ų | 15 | 26.1 Ų | 26.1 | 7% | 0.074 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.7 | -53.5 | 177.9 | -71.2 | 161.7 | 59.2 | 0 | 0 | 110.9 | Y169 A170 A175 Q176 F199 F219 T221 | Y169-M173 VanDerWaalsContact O-CG 3.25Å; Y169-M173 WeakPolarHBondContact O-CG 3.45Å; Y169-M173 PolarHBondContact O-N 3.39Å; A170-M173 HydrophobicContact CB-SD 4.42Å; A170-M173 WeakPolarHBondContact O-CB 3.48Å; A170-M173 PolarHBondContact O-N 3.29Å; A170-M173 VanDerWaalsContact O-N 3.13Å; M173-A175 PolarHBondContact O-N 2.91Å; M173-Q176 WeakPolarHBondContact O-CB 3.46Å; M173-Q176 PolarHBondContact O-N 3.5Å; M173-Q176 VanDerWaalsContact O-N 3.13Å; M173-F199 HydrophobicContact CE-CB 3.26Å; M173-F199 HydrophobicContact CE-CD1 3.68Å; M173-F199 HydrophobicContact CE-CD2 3.8Å; M173-F199 HydrophobicContact CE-CE1 4.41Å; M173-F199 HydrophobicContact CE-CG 3.3Å; M173-F199 HydrophobicContact SD-CB 3.8Å; M173-F199 HydrophobicContact SD-CD1 4.16Å; M173-F199 HydrophobicContact SD-CD2 3.25Å; M173-F199 WeakPolarHBondContact SD-CD2 3.47Å; M173-F199 HydrophobicContact SD-CE2 3.74Å; M173-F199 HydrophobicContact SD-CG 3.48Å; M173-F199 WeakPolarHBondContact SD-CG 3.31Å; M173-F199 HydrophobicContact SD-CZ 4.37Å; M173-F219 HydrophobicContact CG-CB 4.1Å; M173-F219 WeakPolarHBondContact CG-O 3.28Å; M173-F219 HydrophobicContact SD-CB 3.98Å; M173-T221 HydrophobicContact CE-CG2 3.39Å |
| 174 | V | 51 | Low | 59.2 | Low | 26 Ų | 26 | 31.3 Ų | 31.3 | 16% | 0.158 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.6 | -28.9 | 177.2 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | M135 L141 A170 | M135-V174 HydrophobicContact CE-CB 4.46Å; M135-V174 HydrophobicContact CE-CG1 3.24Å; L141-V174 HydrophobicContact CD1-CG1 3.72Å; L141-V174 HydrophobicContact CD2-CB 4.28Å; L141-V174 HydrophobicContact CD2-CG1 3.8Å; L141-V174 HydrophobicContact CD2-CG2 3.74Å; L141-V174 HydrophobicContact CG-CG1 4.43Å; A170-V174 PolarHBondContact O-N 3.38Å; A170-V174 VanDerWaalsContact O-N 3.15Å |
| 175 | A | 46.9 | Very low | 57.4 | Low | 12 Ų | 12 | 31.4 Ų | 31.4 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 23.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K171 R172 M173 R177 L178 L179 | K171-A175 WeakPolarHBondContact O-CA 3.39Å; K171-A175 WeakPolarHBondContact O-CB 2.86Å; K171-A175 PolarHBondContact O-N 2.94Å; R172-A175 CarbonylContact O-C 3.52Å; R172-A175 PolarHBondContact O-N 2.75Å; M173-A175 PolarHBondContact O-N 2.91Å; A175-R177 PolarHBondContact O-N 3.43Å; A175-L178 HydrophobicContact CB-CB 4.08Å; A175-L178 VanDerWaalsContact CB-O 3.24Å; A175-L178 WeakPolarHBondContact CB-O 3.39Å; A175-L178 PolarHBondContact O-N 3.48Å; A175-L179 HydrophobicContact CB-CD1 4.08Å; A175-L179 HydrophobicContact CB-CG 3.82Å |
| 176 | Q | 40.3 | Very low | 55.7 | Low | 27 Ų | 27 | 31 Ų | 31 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 8.2 | 164.1 | -83.4 | -179.5 | 1.5 | 0 | 0 | 112.6 | R172 M173 Y218 F219 | R172-Q176 WeakPolarHBondContact O-CA 2.87Å; R172-Q176 WeakPolarHBondContact O-CG 3.48Å; R172-Q176 PolarHBondContact O-N 3.15Å; M173-Q176 WeakPolarHBondContact O-CB 3.46Å; M173-Q176 PolarHBondContact O-N 3.5Å; M173-Q176 VanDerWaalsContact O-N 3.13Å; Q176-Y218 HydrophobicContact CG-CD1 4.37Å; Q176-F219 PolarHBondContact NE2-O 2.8Å |
| 177 | R | 39.5 | Very low | 54.7 | Low | 111 Ų | 111 | 33.6 Ų | 33.6 | 42% | 0.419 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | -17.2 | -171.5 | -77.7 | -136.3 | 159.4 | -168 | 5.2 | 109.7 | Y43 A44 C45 A175 H186 | Y43-R177 WeakPolarHBondContact O-CA 3.44Å; Y43-R177 WeakPolarHBondContact O-CB 3.47Å; Y43-R177 WeakPolarHBondContact O-CD 3.41Å; Y43-R177 WeakPolarHBondContact O-CG 3.35Å; Y43-R177 PolarHBondContact O-NE 3.22Å; A44-R177 WeakPolarHBondContact O-CD 3.32Å; A44-R177 PolarHBondContact O-NH1 2.81Å; C45-R177 HydrophobicContact CB-CB 4.38Å; C45-R177 HydrophobicContact CB-CG 4.44Å; A175-R177 PolarHBondContact O-N 3.43Å; R177-H186 VanDerWaalsContact C-CD2 3.41Å; R177-H186 PolarHBondContact O-CD2 2.72Å; R177-H186 PolarHBondContact O-NE2 3.32Å |
| 178 | L | 34.2 | Very low | 54.5 | Low | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -160.2 | 66.5 | -158.2 | -65.4 | 148.9 | 0 | 0 | 0 | 118.4 | H40 A44 Y48 M135 A175 H186 | H40-L178 HydrophobicContact CB-CD2 4.22Å; H40-L178 WeakPolarHBondContact CD2-CD2 3.37Å; H40-L178 WeakPolarHBondContact CE1-CD2 3.49Å; H40-L178 VanDerWaalsContact CG-CD2 3.45Å; H40-L178 VanDerWaalsContact NE2-CD2 3.33Å; H40-L178 WeakPolarHBondContact NE2-CD2 3.27Å; A44-L178 HydrophobicContact CB-CD1 4.12Å; A44-L178 HydrophobicContact CB-CD2 3.47Å; A44-L178 VanDerWaalsContact CB-CD2 3.47Å; A44-L178 HydrophobicContact CB-CG 3.81Å; Y48-L178 HydrophobicContact CD1-CD1 3.88Å; Y48-L178 HydrophobicContact CD1-CD2 3.29Å; Y48-L178 HydrophobicContact CD1-CG 4.02Å; Y48-L178 HydrophobicContact CD2-CB 4.19Å; Y48-L178 HydrophobicContact CD2-CD1 3.12Å; Y48-L178 HydrophobicContact CD2-CD2 3.43Å; Y48-L178 VanDerWaalsContact CD2-CD2 3.43Å; Y48-L178 HydrophobicContact CD2-CG 3.58Å; Y48-L178 HydrophobicContact CE1-CD2 3.23Å; Y48-L178 HydrophobicContact CE1-CG 4.35Å; Y48-L178 HydrophobicContact CE2-CB 4.24Å; Y48-L178 HydrophobicContact CE2-CD1 3.93Å; Y48-L178 HydrophobicContact CE2-CD2 3.32Å; Y48-L178 HydrophobicContact CE2-CG 3.88Å; Y48-L178 HydrophobicContact CG-CD1 3.07Å; Y48-L178 HydrophobicContact CG-CD2 3.41Å; Y48-L178 VanDerWaalsContact CG-CD2 3.41Å; Y48-L178 HydrophobicContact CG-CG 3.64Å; M135-L178 HydrophobicContact SD-CD1 3.62Å; A175-L178 HydrophobicContact CB-CB 4.08Å; A175-L178 VanDerWaalsContact CB-O 3.24Å; A175-L178 WeakPolarHBondContact CB-O 3.39Å; A175-L178 PolarHBondContact O-N 3.48Å; L178-H186 PolarHBondContact N-NE2 3.28Å | ||
| 179 | L | 35.7 | Very low | 54.2 | Low | 23 Ų | 23 | 33.6 Ų | 33.6 | 12% | 0.12 | 16% | 0.156 | C | C | . | . | trans | -125.4 | 122.6 | 163.6 | -87.5 | 161.1 | 0 | 0 | 0 | 110.5 | R172 A175 R181 H186 | R172-L179 HydrophobicContact CB-CD1 4.27Å; R172-L179 HydrophobicContact CG-CD1 3.52Å; A175-L179 HydrophobicContact CB-CD1 4.08Å; A175-L179 HydrophobicContact CB-CG 3.82Å; L179-R181 PolarHBondContact O-N 2.63Å; L179-H186 PolarHBondContact O-CE1 2.85Å; L179-H186 VanDerWaalsContact O-CE1 3.29Å | ||
| 180 | A | 36.7 | Very low | 53.9 | Low | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -68.9 | 42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L36 R112 | L36-A180 HydrophobicContact CD1-CB 3.6Å; R112-A180 PolarHBondContact NH2-O 3.04Å |
| 181 | R | 40.1 | Very low | 54.2 | Low | 44 Ų | 44 | 38.4 Ų | 38.4 | 17% | 0.166 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -122 | 92 | 169.4 | -84.9 | -176.4 | 167 | -179.5 | 0.2 | 109 | T121 L179 R185 D211 | T121-R181 PolarHBondContact O-NH2 3.11Å; L179-R181 PolarHBondContact O-N 2.63Å; R181-R185 VanDerWaalsContact O-CB 3.24Å; R181-R185 WeakPolarHBondContact O-CB 3.45Å; R181-R185 PolarHBondContact O-NE 2.91Å; R181-D211 IonicContact NH1-OD1 2.77Å |
| 182 | A | 39.8 | Very low | 54.8 | Low | 23 Ų | 23 | 44.1 Ų | 44.1 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | trans | 68.8 | 132.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118 | H118 F184 R185 | H118-A182 WeakPolarHBondContact O-CA 3.32Å; A182-F184 PolarHBondContact O-N 3.4Å; A182-R185 PolarHBondContact O-N 2.94Å | ||
| 183 | Y | 42.7 | Very low | 55.8 | Low | 112 Ų | 112 | 51.2 Ų | 51.2 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -36 | -34.3 | 172.6 | 175.6 | -115.1 | 0 | 0 | 0 | 115.8 | M39 | M39-Y183 WeakPolarHBondContact CE-O 3.27Å; M39-Y183 HydrophobicContact SD-CD2 3.92Å |
| 184 | F | 44.7 | Very low | 57.3 | Low | 114 Ų | 114 | 50.9 Ų | 50.9 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -12.7 | -174.7 | -55.3 | -84.1 | 0 | 0 | 0 | 114.5 | A182 T187 H188 Y214 | A182-F184 PolarHBondContact O-N 3.4Å; F184-T187 WeakPolarHBondContact CA-OG1 3.34Å; F184-T187 PolarHBondContact O-N 3.45Å; F184-T187 PolarHBondContact O-OG1 2.9Å; F184-H188 VanDerWaalsContact O-CB 3.28Å; F184-H188 WeakPolarHBondContact O-CB 3.5Å; F184-H188 PolarHBondContact O-N 3.33Å; F184-Y214 HydrophobicContact CB-CE1 4.35Å; F184-Y214 HydrophobicContact CB-CE2 4.01Å; F184-Y214 WeakPolarHBondContact CB-OH 3.25Å |
| 185 | R | 53.9 | Low | 59.1 | Low | 20 Ų | 20 | 55 Ų | 55 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -40.4 | -174.6 | -169.4 | 176.6 | -71.1 | -134.4 | -5.7 | 111.7 | R181 A182 H188 A189 Y214 | R181-R185 VanDerWaalsContact O-CB 3.24Å; R181-R185 WeakPolarHBondContact O-CB 3.45Å; R181-R185 PolarHBondContact O-NE 2.91Å; A182-R185 PolarHBondContact O-N 2.94Å; R185-H188 PolarHBondContact O-N 3.5Å; R185-A189 WeakPolarHBondContact O-CB 3.4Å; R185-A189 PolarHBondContact O-N 3.34Å; R185-Y214 HydrophobicContact CB-CD1 3.86Å; R185-Y214 HydrophobicContact CB-CE1 3.78Å; R185-Y214 HydrophobicContact CG-CD1 3.94Å; R185-Y214 HydrophobicContact CG-CE1 4.35Å |
| 186 | H | 56.2 | Low | 61 | Low | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 174.6 | -64.4 | 74.7 | 0 | 0 | 0 | 112 | M39 H40 Y43 R177 L178 L179 H188 L190 | M39-H186 HydrophobicContact CE-CB 3.72Å; H40-H186 AromaticContact CD2-NE2 3.97Å; H40-H186 AromaticContact NE2-NE2 3.95Å; Y43-H186 HydrophobicContact CD2-CB 4.38Å; Y43-H186 HydrophobicContact CG-CB 4.49Å; R177-H186 VanDerWaalsContact C-CD2 3.41Å; R177-H186 PolarHBondContact O-CD2 2.72Å; R177-H186 PolarHBondContact O-NE2 3.32Å; L178-H186 PolarHBondContact N-NE2 3.28Å; L179-H186 PolarHBondContact O-CE1 2.85Å; L179-H186 VanDerWaalsContact O-CE1 3.29Å; H186-H188 VanDerWaalsContact C-N 3.32Å; H186-H188 PolarHBondContact O-N 3.25Å; H186-L190 PolarHBondContact O-N 3.05Å |
| 187 | T | 68.3 | Low | 63.3 | Low | 56 Ų | 56 | 60.1 Ų | 60.1 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68 | -34.6 | 177.5 | 51.7 | 0 | 0 | 0 | 0 | 112 | F184 S191 | F184-T187 WeakPolarHBondContact CA-OG1 3.34Å; F184-T187 PolarHBondContact O-N 3.45Å; F184-T187 PolarHBondContact O-OG1 2.9Å; T187-S191 WeakPolarHBondContact O-CB 3.32Å; T187-S191 PolarHBondContact O-N 3.38Å; T187-S191 PolarHBondContact O-OG 3.41Å |
| 188 | H | 79 | Confident | 65.7 | Low | 26 Ų | 26 | 61 Ų | 61 | 12% | 0.12 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.9 | -51.1 | 177.4 | 179.9 | 92.5 | 0 | 0 | 0 | 111.2 | F184 R185 H186 L190 S191 P194 Y214 Q215 Y218 | F184-H188 VanDerWaalsContact O-CB 3.28Å; F184-H188 WeakPolarHBondContact O-CB 3.5Å; F184-H188 PolarHBondContact O-N 3.33Å; R185-H188 PolarHBondContact O-N 3.5Å; H186-H188 VanDerWaalsContact C-N 3.32Å; H186-H188 PolarHBondContact O-N 3.25Å; H188-L190 PolarHBondContact O-N 3.35Å; H188-S191 PolarHBondContact O-N 2.79Å; H188-S191 PolarHBondContact O-OG 2.76Å; H188-P194 WeakPolarHBondContact O-CD 3.19Å; H188-P194 VanDerWaalsContact O-CG 3.26Å; H188-P194 WeakPolarHBondContact O-CG 3.41Å; H188-Y214 HydrophobicContact CB-CD2 4.32Å; H188-Y214 HydrophobicContact CB-CG 4.16Å; H188-Y214 VanDerWaalsContact CD2-CB 3.48Å; H188-Y214 WeakPolarHBondContact CD2-CB 3.19Å; H188-Y214 AromaticContact CG-CG 3.91Å; H188-Q215 PolarHBondContact CD2-O 2.81Å; H188-Q215 PolarHBondContact NE2-O 2.86Å; H188-Y218 AromaticContact CD2-CE2 4Å |
| 189 | A | 76.1 | Confident | 68.3 | Low | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -27.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R185 H196 Y218 | R185-A189 WeakPolarHBondContact O-CB 3.4Å; R185-A189 PolarHBondContact O-N 3.34Å; A189-H196 PolarHBondContact O-NE2 3.12Å; A189-Y218 HydrophobicContact CB-CD1 4.26Å; A189-Y218 HydrophobicContact CB-CD2 4.41Å; A189-Y218 HydrophobicContact CB-CE1 3.67Å; A189-Y218 HydrophobicContact CB-CE2 3.87Å; A189-Y218 VanDerWaalsContact CB-CZ 3.47Å |
| 190 | L | 76.1 | Confident | 71 | Confident | 78 Ų | 78 | 63 Ų | 63 | 41% | 0.408 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 5.8 | 178.7 | -61.1 | 174.6 | 0 | 0 | 0 | 113.4 | Y43 H186 H188 | Y43-L190 HydrophobicContact CD1-CD1 3.5Å; Y43-L190 HydrophobicContact CE1-CD1 4.25Å; Y43-L190 HydrophobicContact CG-CD1 4.21Å; H186-L190 PolarHBondContact O-N 3.05Å; H188-L190 PolarHBondContact O-N 3.35Å |
| 191 | S | 82.1 | Confident | 73.7 | Confident | 32 Ų | 32 | 63 Ų | 63 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -90.9 | 173.3 | 173.9 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | T187 H188 K193 P194 | T187-S191 WeakPolarHBondContact O-CB 3.32Å; T187-S191 PolarHBondContact O-N 3.38Å; T187-S191 PolarHBondContact O-OG 3.41Å; H188-S191 PolarHBondContact O-N 2.79Å; H188-S191 PolarHBondContact O-OG 2.76Å; S191-K193 PolarHBondContact O-N 3.12Å; S191-K193 WeakPolarHBondContact OG-CB 3.47Å; S191-K193 PolarHBondContact OG-N 2.74Å; S191-P194 WeakPolarHBondContact O-CD 3.47Å |
| 192 | D | 83.4 | Confident | 76.3 | Confident | 172 Ų | 172 | 63.5 Ų | 63.5 | 92% | 0.92 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -78 | 7.6 | 173.8 | -49.8 | -43.4 | 0 | 0 | 0 | 113.4 | ||
| 193 | K | 87.7 | Confident | 78.9 | Confident | 171 Ų | 171 | 66.3 Ų | 66.3 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -78.6 | -53.3 | -178.3 | -69.1 | -174.7 | 177 | -177.3 | 0 | 113.8 | S191 | S191-K193 PolarHBondContact O-N 3.12Å; S191-K193 WeakPolarHBondContact OG-CB 3.47Å; S191-K193 PolarHBondContact OG-N 2.74Å |
| 194 | P | 88 | Confident | 81.2 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -78.2 | 156.2 | 175.2 | 33.9 | -37.2 | 0 | 0 | 0 | 111.3 | H188 S191 H196 D216 Y218 | H188-P194 WeakPolarHBondContact O-CD 3.19Å; H188-P194 VanDerWaalsContact O-CG 3.26Å; H188-P194 WeakPolarHBondContact O-CG 3.41Å; S191-P194 WeakPolarHBondContact O-CD 3.47Å; P194-H196 PolarHBondContact O-ND1 3.22Å; P194-D216 CarbonylContact C-O 3.58Å; P194-D216 WeakPolarHBondContact CA-O 3.15Å; P194-D216 WeakPolarHBondContact CB-O 3.41Å; P194-Y218 HydrophobicContact CB-CD2 3.59Å; P194-Y218 HydrophobicContact CB-CE2 3.6Å; P194-Y218 HydrophobicContact CG-CD2 3.76Å; P194-Y218 HydrophobicContact CG-CE2 3.71Å |
| 195 | E | 89.5 | Confident | 83.6 | Confident | 111 Ų | 111 | 55.9 Ų | 55.9 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 143.8 | 166.3 | -172 | 179.3 | 169.4 | 0 | 0 | 110.5 | Q197 D216 L217 Y218 | E195-Q197 HydrophobicContact CG-CG 4.3Å; E195-Q197 PolarHBondContact OE1-NE2 3.24Å; E195-D216 PolarHBondContact N-O 2.8Å; E195-L217 HydrophobicContact CB-CD1 3.95Å; E195-L217 HydrophobicContact CG-CD1 3.96Å; E195-L217 CarbonylContact O-C 3.37Å; E195-L217 WeakPolarHBondContact O-CA 3.36Å; E195-Y218 PolarHBondContact O-N 3.31Å |
| 196 | H | 85.9 | Confident | 85.4 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.7 | 171.5 | -57.8 | 88.3 | 0 | 0 | 0 | 109.6 | A189 P194 Y218 V220 | A189-H196 PolarHBondContact O-NE2 3.12Å; P194-H196 PolarHBondContact O-ND1 3.22Å; H196-Y218 CarbonylContact C-O 3.57Å; H196-Y218 VanDerWaalsContact CA-O 3.3Å; H196-Y218 WeakPolarHBondContact CA-O 3.46Å; H196-V220 HydrophobicContact CB-CG2 4.13Å |
| 197 | Q | 89.3 | Confident | 87.2 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 157.7 | 175.8 | -71 | -176.8 | 9.7 | 0 | 0 | 111.2 | E195 L217 Y218 F219 V220 | E195-Q197 HydrophobicContact CG-CG 4.3Å; E195-Q197 PolarHBondContact OE1-NE2 3.24Å; Q197-L217 HydrophobicContact CB-CD1 4.05Å; Q197-L217 HydrophobicContact CG-CD1 3.65Å; Q197-Y218 PolarHBondContact N-O 2.89Å; Q197-F219 HydrophobicContact CB-CD1 3.91Å; Q197-F219 HydrophobicContact CB-CE1 3.88Å; Q197-F219 CarbonylContact O-C 3.08Å; Q197-F219 WeakPolarHBondContact O-CA 3.35Å; Q197-V220 PolarHBondContact O-N 2.97Å |
| 198 | E | 89.9 | Confident | 88.2 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 61% | 0.607 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 136.5 | 171.3 | -169 | -173.8 | 162.5 | 0 | 0 | 110.4 | D200 F219 K230 | E198-D200 PolarHBondContact O-N 3.26Å; E198-F219 WeakPolarHBondContact O-CD1 3.49Å; E198-K230 IonicContact OE1-NZ 2.95Å; E198-K230 PolarHBondContact OE1-NZ 2.81Å |
| 199 | F | 90.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -66.5 | 114.2 | 175.1 | 178.3 | -117.5 | 0 | 0 | 0 | 111.5 | M173 P201 T204 F219 V220 A227 K230 L231 | M173-F199 HydrophobicContact CE-CB 3.26Å; M173-F199 HydrophobicContact CE-CD1 3.68Å; M173-F199 HydrophobicContact CE-CD2 3.8Å; M173-F199 HydrophobicContact CE-CE1 4.41Å; M173-F199 HydrophobicContact CE-CG 3.3Å; M173-F199 HydrophobicContact SD-CB 3.8Å; M173-F199 HydrophobicContact SD-CD1 4.16Å; M173-F199 HydrophobicContact SD-CD2 3.25Å; M173-F199 WeakPolarHBondContact SD-CD2 3.47Å; M173-F199 HydrophobicContact SD-CE2 3.74Å; M173-F199 HydrophobicContact SD-CG 3.48Å; M173-F199 WeakPolarHBondContact SD-CG 3.31Å; M173-F199 HydrophobicContact SD-CZ 4.37Å; F199-P201 HydrophobicContact CE1-CG 3.78Å; F199-P201 HydrophobicContact CE2-CG 4.46Å; F199-P201 HydrophobicContact CZ-CB 4.44Å; F199-P201 HydrophobicContact CZ-CG 3.77Å; F199-T204 HydrophobicContact CD2-CG2 4.24Å; F199-T204 WeakPolarHBondContact CD2-OG1 3.2Å; F199-T204 HydrophobicContact CE2-CG2 4.03Å; F199-F219 HydrophobicContact CB-CB 4.1Å; F199-F219 HydrophobicContact CD2-CB 4.14Å; F199-V220 WeakPolarHBondContact CB-O 3.45Å; F199-V220 PolarHBondContact N-O 2.77Å; F199-A227 HydrophobicContact CD1-CB 4.2Å; F199-A227 HydrophobicContact CE1-CB 4.07Å; F199-K230 HydrophobicContact CD1-CD 4.39Å; F199-K230 VanDerWaalsContact O-CD 3.29Å; F199-K230 WeakPolarHBondContact O-CD 3.45Å; F199-K230 PolarHBondContact O-NZ 2.85Å; F199-K230 VanDerWaalsContact O-NZ 3.12Å; F199-L231 HydrophobicContact CE1-CD1 4.12Å; F199-L231 HydrophobicContact CE1-CG 4.09Å; F199-L231 HydrophobicContact CZ-CD1 4.02Å; F199-L231 HydrophobicContact CZ-CD2 4.22Å; F199-L231 HydrophobicContact CZ-CG 4.02Å | ||
| 200 | D | 92.2 | Very high | 88.8 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 34% | 0.342 | 37% | 0.365 | S | S | . | . | trans | -124.3 | 115.7 | 165.5 | 180 | -23.8 | 0 | 0 | 0 | 108 | E198 S202 I203 T204 | E198-D200 PolarHBondContact O-N 3.26Å; D200-S202 PolarHBondContact O-N 2.81Å; D200-S202 VanDerWaalsContact O-N 3.11Å; D200-S202 VanDerWaalsContact OD1-CB 3.26Å; D200-S202 WeakPolarHBondContact OD1-CB 3.1Å; D200-S202 PolarHBondContact OD1-N 3.05Å; D200-S202 PolarHBondContact OD1-OG 2.92Å; D200-S202 VanDerWaalsContact OD1-OG 3.04Å; D200-I203 HydrophobicContact CB-CB 4.19Å; D200-I203 HydrophobicContact CB-CD1 3.95Å; D200-I203 HydrophobicContact CB-CG1 4.02Å; D200-I203 PolarHBondContact O-N 3.35Å; D200-I203 VanDerWaalsContact O-N 3.14Å; D200-T204 VanDerWaalsContact O-CB 3.29Å; D200-T204 WeakPolarHBondContact O-CB 3.31Å; D200-T204 PolarHBondContact O-N 3.06Å; D200-T204 PolarHBondContact O-OG1 3.02Å | ||
| 201 | P | 92.8 | Very high | 88.8 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.019 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.4 | -26.7 | -179 | -27.7 | 35 | 0 | 0 | 0 | 115 | N166 F199 S205 K230 L231 F234 | N166-P201 PolarHBondContact ND2-O 3.46Å; N166-P201 VanDerWaalsContact OD1-CA 3.23Å; N166-P201 WeakPolarHBondContact OD1-CA 2.85Å; N166-P201 PolarHBondContact OD1-O 3.24Å; F199-P201 HydrophobicContact CE1-CG 3.78Å; F199-P201 HydrophobicContact CE2-CG 4.46Å; F199-P201 HydrophobicContact CZ-CB 4.44Å; F199-P201 HydrophobicContact CZ-CG 3.77Å; P201-S205 WeakPolarHBondContact O-CB 3.41Å; P201-S205 PolarHBondContact O-N 3.26Å; P201-S205 PolarHBondContact O-OG 2.92Å; P201-K230 HydrophobicContact CG-CB 3.91Å; P201-L231 HydrophobicContact CB-CD2 3.96Å; P201-L231 HydrophobicContact CG-CD2 3.91Å; P201-L231 HydrophobicContact CG-CG 3.94Å; P201-F234 HydrophobicContact CB-CB 3.64Å; P201-F234 HydrophobicContact CB-CD1 4.34Å; P201-F234 HydrophobicContact CB-CD2 3.87Å; P201-F234 HydrophobicContact CB-CG 3.69Å; P201-F234 HydrophobicContact CG-CB 4.25Å |
| 202 | S | 93.9 | Very high | 88.4 | Confident | 55 Ų | 55 | 80.3 Ų | 80.3 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.9 | -44.2 | 179 | -40.3 | 0 | 0 | 0 | 0 | 110.7 | D200 S205 | D200-S202 PolarHBondContact O-N 2.81Å; D200-S202 VanDerWaalsContact O-N 3.11Å; D200-S202 VanDerWaalsContact OD1-CB 3.26Å; D200-S202 WeakPolarHBondContact OD1-CB 3.1Å; D200-S202 PolarHBondContact OD1-N 3.05Å; D200-S202 PolarHBondContact OD1-OG 2.92Å; D200-S202 VanDerWaalsContact OD1-OG 3.04Å; S202-S205 PolarHBondContact O-OG 3.32Å |
| 203 | I | 94.1 | Very high | 88.2 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.8 | -53.4 | 175.5 | -60.4 | 177.8 | 0 | 0 | 0 | 109.2 | D200 S205 V206 T207 F219 | D200-I203 HydrophobicContact CB-CB 4.19Å; D200-I203 HydrophobicContact CB-CD1 3.95Å; D200-I203 HydrophobicContact CB-CG1 4.02Å; D200-I203 PolarHBondContact O-N 3.35Å; D200-I203 VanDerWaalsContact O-N 3.14Å; I203-S205 PolarHBondContact O-N 3.11Å; I203-V206 WeakPolarHBondContact O-CG2 3.23Å; I203-V206 PolarHBondContact O-N 2.82Å; I203-V206 VanDerWaalsContact O-N 3.12Å; I203-T207 PolarHBondContact O-N 3.35Å; I203-T207 PolarHBondContact O-OG1 3.43Å; I203-F219 HydrophobicContact CG2-CE1 4.29Å; I203-F219 HydrophobicContact CG2-CZ 4.34Å |
| 204 | T | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.9 | -36.5 | -174 | -46.4 | 0 | 0 | 0 | 0 | 111.8 | T165 N166 Y169 F199 D200 V206 T207 F219 | T165-T204 WeakPolarHBondContact CG2-O 3.33Å; N166-T204 VanDerWaalsContact OD1-CB 3.31Å; N166-T204 WeakPolarHBondContact OD1-CB 3.29Å; Y169-T204 HydrophobicContact CD1-CG2 4.49Å; Y169-T204 HydrophobicContact CD2-CG2 3.42Å; Y169-T204 VanDerWaalsContact CD2-CG2 3.42Å; Y169-T204 HydrophobicContact CE2-CG2 4.28Å; Y169-T204 HydrophobicContact CG-CG2 3.53Å; F199-T204 HydrophobicContact CD2-CG2 4.24Å; F199-T204 WeakPolarHBondContact CD2-OG1 3.2Å; F199-T204 HydrophobicContact CE2-CG2 4.03Å; D200-T204 VanDerWaalsContact O-CB 3.29Å; D200-T204 WeakPolarHBondContact O-CB 3.31Å; D200-T204 PolarHBondContact O-N 3.06Å; D200-T204 PolarHBondContact O-OG1 3.02Å; T204-V206 PolarHBondContact O-N 3.4Å; T204-T207 PolarHBondContact O-N 2.9Å; T204-F219 HydrophobicContact CG2-CD2 3.62Å; T204-F219 HydrophobicContact CG2-CE2 3.72Å; T204-F219 HydrophobicContact CG2-CG 4.2Å; T204-F219 HydrophobicContact CG2-CZ 4.37Å |
| 205 | S | 93.4 | Very high | 87.4 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22 | -179.9 | 69.3 | 0 | 0 | 0 | 0 | 115.8 | K162 N166 P201 S202 I203 | K162-S205 WeakPolarHBondContact O-CB 3.3Å; N166-S205 WeakPolarHBondContact ND2-CB 3.25Å; P201-S205 WeakPolarHBondContact O-CB 3.41Å; P201-S205 PolarHBondContact O-N 3.26Å; P201-S205 PolarHBondContact O-OG 2.92Å; S202-S205 PolarHBondContact O-OG 3.32Å; I203-S205 PolarHBondContact O-N 3.11Å |
| 206 | V | 93.3 | Very high | 87.3 | Confident | 99 Ų | 99 | 73.2 Ų | 73.2 | 60% | 0.6 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -3.9 | -179.7 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | I203 T204 K208 | I203-V206 WeakPolarHBondContact O-CG2 3.23Å; I203-V206 PolarHBondContact O-N 2.82Å; I203-V206 VanDerWaalsContact O-N 3.12Å; T204-V206 PolarHBondContact O-N 3.4Å; V206-K208 PolarHBondContact O-N 3.11Å |
| 207 | T | 93.1 | Very high | 87.4 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | trans | -69.2 | 118.9 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 110 | Y169 I203 T204 L217 F219 | Y169-T207 HydrophobicContact CE2-CG2 4.23Å; Y169-T207 VanDerWaalsContact OH-CG2 3.29Å; Y169-T207 WeakPolarHBondContact OH-CG2 3.43Å; I203-T207 PolarHBondContact O-N 3.35Å; I203-T207 PolarHBondContact O-OG1 3.43Å; T204-T207 PolarHBondContact O-N 2.9Å; T207-L217 HydrophobicContact CG2-CD2 3.86Å; T207-F219 HydrophobicContact CG2-CE2 4.12Å; T207-F219 HydrophobicContact CG2-CZ 4.25Å | ||
| 208 | K | 90.3 | Very high | 87.3 | Confident | 197 Ų | 197 | 68.1 Ų | 68.1 | 86% | 0.857 | 34% | 0.339 | S | S | * | . | trans | -70.7 | 142.6 | 175.9 | -65.3 | -177.3 | -179.6 | 178.9 | 0 | 110.4 | Y169 V206 | Y169-K208 PolarHBondContact OH-O 3.24Å; V206-K208 PolarHBondContact O-N 3.11Å | ||
| 209 | Y | 84.9 | Confident | 87.2 | Confident | 95 Ų | 95 | 62 Ų | 62 | 37% | 0.373 | 31% | 0.311 | S | S | . | . | trans | -133.3 | 167.4 | 172.6 | 67.6 | -89.6 | 0 | 0 | 0 | 111 | T165 Y169 | T165-Y209 HydrophobicContact CG2-CD1 4.24Å; T165-Y209 HydrophobicContact CG2-CE1 4.18Å; Y169-Y209 HydrophobicContact CE2-CD1 4.2Å | ||
| 210 | Q | 82.8 | Confident | 87 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 29% | 0.285 | 33% | 0.326 | S | S | . | . | trans | -129.1 | 153.8 | 175.4 | 62.2 | 71.7 | 32.3 | 0 | 0 | 109.6 | N213 Y214 Q215 | Q210-N213 PolarHBondContact NE2-O 3.11Å; Q210-Y214 PolarHBondContact NE2-O 2.81Å; Q210-Q215 PolarHBondContact O-NE2 3.42Å | ||
| 211 | D | 75.2 | Confident | 86.6 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -107.1 | -1.9 | -174.3 | -75.2 | -44.1 | 0 | 0 | 0 | 115 | R172 R181 | R172-D211 IonicContact NH2-OD1 2.8Å; R172-D211 PolarHBondContact NH2-OD1 3.32Å; R181-D211 IonicContact NH1-OD1 2.77Å |
| 212 | Q | 74.5 | Confident | 86.2 | Confident | 172 Ų | 172 | 70.7 Ų | 70.7 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -84.4 | -50.4 | -176.4 | -60.9 | -177.9 | 1.1 | 0 | 0 | 112.6 | ||
| 213 | N | 78.3 | Confident | 85.7 | Confident | 111 Ų | 111 | 70.1 Ų | 70.1 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -104.5 | 177.6 | -175.1 | -61.2 | -35 | 0 | 0 | 0 | 112.3 | Q210 Q215 | Q210-N213 PolarHBondContact NE2-O 3.11Å; N213-Q215 PolarHBondContact O-NE2 2.84Å |
| 214 | Y | 77.6 | Confident | 85.1 | Confident | 73 Ų | 73 | 66.9 Ų | 66.9 | 29% | 0.286 | 33% | 0.334 | S | S | . | . | trans | -61.7 | 153.8 | 166.2 | -55.6 | -53.3 | 0 | 0 | 0 | 110.9 | F184 R185 H188 Q210 | F184-Y214 HydrophobicContact CB-CE1 4.35Å; F184-Y214 HydrophobicContact CB-CE2 4.01Å; F184-Y214 WeakPolarHBondContact CB-OH 3.25Å; R185-Y214 HydrophobicContact CB-CD1 3.86Å; R185-Y214 HydrophobicContact CB-CE1 3.78Å; R185-Y214 HydrophobicContact CG-CD1 3.94Å; R185-Y214 HydrophobicContact CG-CE1 4.35Å; H188-Y214 HydrophobicContact CB-CD2 4.32Å; H188-Y214 HydrophobicContact CB-CG 4.16Å; H188-Y214 VanDerWaalsContact CD2-CB 3.48Å; H188-Y214 WeakPolarHBondContact CD2-CB 3.19Å; H188-Y214 AromaticContact CG-CG 3.91Å; Q210-Y214 PolarHBondContact NE2-O 2.81Å | ||
| 215 | Q | 82.4 | Confident | 84.8 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.028 | 35% | 0.353 | C | S | . | . | trans | -78 | 137.5 | 177.9 | -53.6 | -58.4 | -78.1 | 0 | 0 | 109.2 | H188 Q210 N213 L217 Y218 | H188-Q215 PolarHBondContact CD2-O 2.81Å; H188-Q215 PolarHBondContact NE2-O 2.86Å; Q210-Q215 PolarHBondContact O-NE2 3.42Å; N213-Q215 PolarHBondContact O-NE2 2.84Å; Q215-L217 VanDerWaalsContact C-N 3.32Å; Q215-Y218 HydrophobicContact CB-CE1 4.24Å; Q215-Y218 HydrophobicContact CB-CE2 3.98Å; Q215-Y218 HydrophobicContact CG-CE1 4.44Å; Q215-Y218 VanDerWaalsContact O-CE2 3.29Å; Q215-Y218 WeakPolarHBondContact O-CE2 3.48Å | ||
| 216 | D | 87.2 | Confident | 84.6 | Confident | 123 Ų | 123 | 72.6 Ų | 72.6 | 66% | 0.658 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -84.2 | -14.2 | 174.3 | -57.7 | -42.9 | 0 | 0 | 0 | 111.9 | P194 E195 | P194-D216 CarbonylContact C-O 3.58Å; P194-D216 WeakPolarHBondContact CA-O 3.15Å; P194-D216 WeakPolarHBondContact CB-O 3.41Å; E195-D216 PolarHBondContact N-O 2.8Å |
| 217 | L | 87.6 | Confident | 84.3 | Confident | 30 Ų | 30 | 68 Ų | 68 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 131.4 | 178.6 | 175.6 | 61.6 | 0 | 0 | 0 | 110.4 | E195 Q197 T207 Q215 F219 | E195-L217 HydrophobicContact CB-CD1 3.95Å; E195-L217 HydrophobicContact CG-CD1 3.96Å; E195-L217 CarbonylContact O-C 3.37Å; E195-L217 WeakPolarHBondContact O-CA 3.36Å; Q197-L217 HydrophobicContact CB-CD1 4.05Å; Q197-L217 HydrophobicContact CG-CD1 3.65Å; T207-L217 HydrophobicContact CG2-CD2 3.86Å; Q215-L217 VanDerWaalsContact C-N 3.32Å; L217-F219 HydrophobicContact CD2-CE2 3.97Å; L217-F219 HydrophobicContact CD2-CZ 3.75Å; L217-F219 HydrophobicContact CG-CE2 4.21Å; L217-F219 HydrophobicContact CG-CZ 4.3Å |
| 218 | Y | 86.3 | Confident | 84.1 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.5 | 167.4 | -65 | -94.1 | 0 | 0 | 0 | 110.2 | Q176 H188 A189 P194 E195 H196 Q197 Q215 | Q176-Y218 HydrophobicContact CG-CD1 4.37Å; H188-Y218 AromaticContact CD2-CE2 4Å; A189-Y218 HydrophobicContact CB-CD1 4.26Å; A189-Y218 HydrophobicContact CB-CD2 4.41Å; A189-Y218 HydrophobicContact CB-CE1 3.67Å; A189-Y218 HydrophobicContact CB-CE2 3.87Å; A189-Y218 VanDerWaalsContact CB-CZ 3.47Å; P194-Y218 HydrophobicContact CB-CD2 3.59Å; P194-Y218 HydrophobicContact CB-CE2 3.6Å; P194-Y218 HydrophobicContact CG-CD2 3.76Å; P194-Y218 HydrophobicContact CG-CE2 3.71Å; E195-Y218 PolarHBondContact O-N 3.31Å; H196-Y218 CarbonylContact C-O 3.57Å; H196-Y218 VanDerWaalsContact CA-O 3.3Å; H196-Y218 WeakPolarHBondContact CA-O 3.46Å; Q197-Y218 PolarHBondContact N-O 2.89Å; Q215-Y218 HydrophobicContact CB-CE1 4.24Å; Q215-Y218 HydrophobicContact CB-CE2 3.98Å; Q215-Y218 HydrophobicContact CG-CE1 4.44Å; Q215-Y218 VanDerWaalsContact O-CE2 3.29Å; Q215-Y218 WeakPolarHBondContact O-CE2 3.48Å |
| 219 | F | 88 | Confident | 84.1 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 153 | 168.1 | -67 | -81.8 | 0 | 0 | 0 | 109.8 | Y169 M173 Q176 Q197 E198 F199 I203 T204 T207 L217 | Y169-F219 AromaticContact CD1-CD2 3.53Å; Y169-F219 HydrophobicContact CD1-CD2 3.53Å; Y169-F219 AromaticContact CD1-CE2 3.96Å; Y169-F219 HydrophobicContact CD1-CE2 3.96Å; Y169-F219 HydrophobicContact CD2-CD2 4.46Å; Y169-F219 HydrophobicContact CD2-CE2 4.42Å; Y169-F219 AromaticContact CE1-CD2 3.86Å; Y169-F219 HydrophobicContact CE1-CD2 3.86Å; Y169-F219 AromaticContact CE1-CE2 3.87Å; Y169-F219 HydrophobicContact CE1-CE2 3.87Å; Y169-F219 HydrophobicContact CE2-CE2 4.35Å; Y169-F219 AromaticContact CG-CD2 3.84Å; Y169-F219 HydrophobicContact CG-CD2 3.84Å; Y169-F219 HydrophobicContact CG-CE2 4.22Å; M173-F219 HydrophobicContact CG-CB 4.1Å; M173-F219 WeakPolarHBondContact CG-O 3.28Å; M173-F219 HydrophobicContact SD-CB 3.98Å; Q176-F219 PolarHBondContact NE2-O 2.8Å; Q197-F219 HydrophobicContact CB-CD1 3.91Å; Q197-F219 HydrophobicContact CB-CE1 3.88Å; Q197-F219 CarbonylContact O-C 3.08Å; Q197-F219 WeakPolarHBondContact O-CA 3.35Å; E198-F219 WeakPolarHBondContact O-CD1 3.49Å; F199-F219 HydrophobicContact CB-CB 4.1Å; F199-F219 HydrophobicContact CD2-CB 4.14Å; I203-F219 HydrophobicContact CG2-CE1 4.29Å; I203-F219 HydrophobicContact CG2-CZ 4.34Å; T204-F219 HydrophobicContact CG2-CD2 3.62Å; T204-F219 HydrophobicContact CG2-CE2 3.72Å; T204-F219 HydrophobicContact CG2-CG 4.2Å; T204-F219 HydrophobicContact CG2-CZ 4.37Å; T207-F219 HydrophobicContact CG2-CE2 4.12Å; T207-F219 HydrophobicContact CG2-CZ 4.25Å; L217-F219 HydrophobicContact CD2-CE2 3.97Å; L217-F219 HydrophobicContact CD2-CZ 3.75Å; L217-F219 HydrophobicContact CG-CE2 4.21Å; L217-F219 HydrophobicContact CG-CZ 4.3Å |
| 220 | V | 85.5 | Confident | 84.5 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 33% | 0.327 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.5 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | H196 Q197 F199 | H196-V220 HydrophobicContact CB-CG2 4.13Å; Q197-V220 PolarHBondContact O-N 2.97Å; F199-V220 WeakPolarHBondContact CB-O 3.45Å; F199-V220 PolarHBondContact N-O 2.77Å |
| 221 | T | 85 | Confident | 84.9 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 17% | 0.172 | 30% | 0.296 | C | S | . | . | trans | -121 | 146.7 | 174 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | M173 S223 D226 A227 | M173-T221 HydrophobicContact CE-CG2 3.39Å; T221-S223 VanDerWaalsContact C-N 3.32Å; T221-S223 VanDerWaalsContact CG2-O 3.31Å; T221-S223 WeakPolarHBondContact CG2-O 3.44Å; T221-S223 PolarHBondContact OG1-O 2.82Å; T221-D226 PolarHBondContact OG1-OD2 2.77Å; T221-A227 HydrophobicContact CG2-CB 4.22Å | ||
| 222 | E | 83.5 | Confident | 85.7 | Confident | 167 Ų | 167 | 58.6 Ų | 58.6 | 78% | 0.78 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -63.6 | -41 | 176.6 | -68.8 | -60.4 | 133.6 | 0 | 0 | 111.5 | D226 | E222-D226 HydrophobicContact CB-CB 4.48Š|
| 223 | S | 83.4 | Confident | 86.6 | Confident | 44 Ų | 44 | 57.1 Ų | 57.1 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | trans | -153.3 | 170.2 | 179.5 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | T221 E225 D226 A227 | T221-S223 VanDerWaalsContact C-N 3.32Å; T221-S223 VanDerWaalsContact CG2-O 3.31Å; T221-S223 WeakPolarHBondContact CG2-O 3.44Å; T221-S223 PolarHBondContact OG1-O 2.82Å; S223-E225 VanDerWaalsContact C-N 3.27Å; S223-E225 WeakPolarHBondContact CB-OE2 3.3Å; S223-D226 WeakPolarHBondContact OG-CB 3.39Å; S223-D226 PolarHBondContact OG-N 2.86Å; S223-A227 PolarHBondContact O-N 2.71Å | ||
| 224 | I | 83 | Confident | 87.4 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 174.3 | -64.3 | 160.8 | 0 | 0 | 0 | 109.2 | R140 L141 L144 A227 I228 | R140-I224 HydrophobicContact CB-CB 4.44Å; R140-I224 HydrophobicContact CB-CG2 3.68Å; L141-I224 HydrophobicContact CD1-CD1 4.04Å; L141-I224 HydrophobicContact CD2-CD1 3.89Å; L141-I224 HydrophobicContact CD2-CG1 3.89Å; L141-I224 HydrophobicContact CD2-CG2 3.82Å; L141-I224 HydrophobicContact CG-CD1 3.77Å; L141-I224 HydrophobicContact CG-CG1 4.33Å; L141-I224 HydrophobicContact CG-CG2 4.24Å; L144-I224 HydrophobicContact CD2-CG2 4.44Å; I224-A227 PolarHBondContact O-N 2.96Å; I224-I228 HydrophobicContact CG2-CD1 4.13Å; I224-I228 WeakPolarHBondContact O-CG1 3.3Å; I224-I228 PolarHBondContact O-N 3.18Å |
| 225 | E | 86.1 | Confident | 88.1 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 177.3 | -63.3 | 82 | 173 | 0 | 0 | 111.6 | R140 S223 I228 V229 | R140-E225 WeakPolarHBondContact CD-OE1 3.11Å; R140-E225 IonicContact CZ-OE1 3.82Å; R140-E225 IonicContact NE-OE1 2.72Å; R140-E225 IonicContact NH1-OE1 3.51Å; R140-E225 PolarHBondContact NH1-OE1 3.32Å; R140-E225 IonicContact NH1-OE2 3.85Å; S223-E225 VanDerWaalsContact C-N 3.27Å; S223-E225 WeakPolarHBondContact CB-OE2 3.3Å; E225-I228 WeakPolarHBondContact O-CB 3.32Å; E225-I228 PolarHBondContact O-N 2.65Å; E225-V229 WeakPolarHBondContact O-CG2 3.47Å; E225-V229 PolarHBondContact O-N 2.82Å |
| 226 | D | 87.9 | Confident | 88.5 | Confident | 45 Ų | 45 | 53.2 Ų | 53.2 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 173.7 | 179.1 | 61 | 0 | 0 | 0 | 111.4 | T221 E222 S223 I228 V229 K230 | T221-D226 PolarHBondContact OG1-OD2 2.77Å; E222-D226 HydrophobicContact CB-CB 4.48Å; S223-D226 WeakPolarHBondContact OG-CB 3.39Å; S223-D226 PolarHBondContact OG-N 2.86Å; D226-I228 VanDerWaalsContact C-N 3.32Å; D226-I228 PolarHBondContact O-N 2.81Å; D226-V229 PolarHBondContact O-N 3.42Å; D226-K230 WeakPolarHBondContact O-CG 3.35Å; D226-K230 PolarHBondContact O-N 3.2Å; D226-K230 WeakPolarHBondContact OD1-CE 2.93Å; D226-K230 IonicContact OD1-NZ 3.48Å; D226-K230 WeakPolarHBondContact OD2-CD 3.46Å; D226-K230 WeakPolarHBondContact OD2-CE 3.41Å; D226-K230 IonicContact OD2-NZ 3.02Å; D226-K230 PolarHBondContact OD2-NZ 3.18Å |
| 227 | A | 87.8 | Confident | 88.8 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F199 T221 S223 I224 L231 | F199-A227 HydrophobicContact CD1-CB 4.2Å; F199-A227 HydrophobicContact CE1-CB 4.07Å; T221-A227 HydrophobicContact CG2-CB 4.22Å; S223-A227 PolarHBondContact O-N 2.71Å; I224-A227 PolarHBondContact O-N 2.96Å; A227-L231 WeakPolarHBondContact O-CB 3.24Å; A227-L231 WeakPolarHBondContact O-CD1 3.48Å; A227-L231 WeakPolarHBondContact O-CG 3.22Å; A227-L231 PolarHBondContact O-N 2.98Å |
| 228 | I | 88.1 | Confident | 89.1 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -54 | 174.3 | -71.3 | 168.2 | 0 | 0 | 0 | 109.9 | L144 L147 I224 E225 D226 K230 L231 E232 | L144-I228 HydrophobicContact CB-CD1 4.35Å; L144-I228 HydrophobicContact CB-CG1 3.91Å; L144-I228 HydrophobicContact CD1-CG1 3.76Å; L144-I228 HydrophobicContact CG-CG1 4.39Å; L147-I228 HydrophobicContact CD2-CG2 4.12Å; I224-I228 HydrophobicContact CG2-CD1 4.13Å; I224-I228 WeakPolarHBondContact O-CG1 3.3Å; I224-I228 PolarHBondContact O-N 3.18Å; E225-I228 WeakPolarHBondContact O-CB 3.32Å; E225-I228 PolarHBondContact O-N 2.65Å; D226-I228 VanDerWaalsContact C-N 3.32Å; D226-I228 PolarHBondContact O-N 2.81Å; I228-K230 VanDerWaalsContact C-N 3.33Å; I228-K230 PolarHBondContact O-N 3.14Å; I228-L231 PolarHBondContact O-N 3.17Å; I228-L231 VanDerWaalsContact O-N 3.12Å; I228-E232 HydrophobicContact CG2-CG 4.28Å; I228-E232 WeakPolarHBondContact O-CG 3.45Å; I228-E232 PolarHBondContact O-N 3.39Å |
| 229 | V | 91.9 | Very high | 89.3 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | -178.4 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | E225 D226 L231 E232 K233 | E225-V229 WeakPolarHBondContact O-CG2 3.47Å; E225-V229 PolarHBondContact O-N 2.82Å; D226-V229 PolarHBondContact O-N 3.42Å; V229-L231 VanDerWaalsContact C-N 3.35Å; V229-L231 PolarHBondContact O-N 2.78Å; V229-E232 PolarHBondContact O-N 3.35Å; V229-K233 WeakPolarHBondContact O-CB 3.29Å; V229-K233 PolarHBondContact O-N 3.06Å |
| 230 | K | 92.2 | Very high | 89.5 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.6 | -73.4 | 174.4 | 172.6 | 170.7 | 0 | 111.8 | E198 F199 P201 D226 I228 K233 F234 | E198-K230 IonicContact OE1-NZ 2.95Å; E198-K230 PolarHBondContact OE1-NZ 2.81Å; F199-K230 HydrophobicContact CD1-CD 4.39Å; F199-K230 VanDerWaalsContact O-CD 3.29Å; F199-K230 WeakPolarHBondContact O-CD 3.45Å; F199-K230 PolarHBondContact O-NZ 2.85Å; F199-K230 VanDerWaalsContact O-NZ 3.12Å; P201-K230 HydrophobicContact CG-CB 3.91Å; D226-K230 WeakPolarHBondContact O-CG 3.35Å; D226-K230 PolarHBondContact O-N 3.2Å; D226-K230 WeakPolarHBondContact OD1-CE 2.93Å; D226-K230 IonicContact OD1-NZ 3.48Å; D226-K230 WeakPolarHBondContact OD2-CD 3.46Å; D226-K230 WeakPolarHBondContact OD2-CE 3.41Å; D226-K230 IonicContact OD2-NZ 3.02Å; D226-K230 PolarHBondContact OD2-NZ 3.18Å; I228-K230 VanDerWaalsContact C-N 3.33Å; I228-K230 PolarHBondContact O-N 3.14Å; K230-K233 PolarHBondContact O-N 3.11Å; K230-F234 PolarHBondContact O-N 3.26Å |
| 231 | L | 91.4 | Very high | 89.6 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.8 | -35.5 | 178.2 | -80.9 | 161.9 | 0 | 0 | 0 | 113.4 | L144 L147 I148 N166 F199 P201 A227 I228 V229 K233 F234 A235 | L144-L231 HydrophobicContact CD1-CD1 3.39Å; L147-L231 HydrophobicContact CD2-CB 4.14Å; I148-L231 HydrophobicContact CD1-CD1 3.95Å; I148-L231 HydrophobicContact CG1-CD1 4.06Å; I148-L231 HydrophobicContact CG1-CD2 4.5Å; N166-L231 HydrophobicContact CB-CD2 4.19Å; F199-L231 HydrophobicContact CE1-CD1 4.12Å; F199-L231 HydrophobicContact CE1-CG 4.09Å; F199-L231 HydrophobicContact CZ-CD1 4.02Å; F199-L231 HydrophobicContact CZ-CD2 4.22Å; F199-L231 HydrophobicContact CZ-CG 4.02Å; P201-L231 HydrophobicContact CB-CD2 3.96Å; P201-L231 HydrophobicContact CG-CD2 3.91Å; P201-L231 HydrophobicContact CG-CG 3.94Å; A227-L231 WeakPolarHBondContact O-CB 3.24Å; A227-L231 WeakPolarHBondContact O-CD1 3.48Å; A227-L231 WeakPolarHBondContact O-CG 3.22Å; A227-L231 PolarHBondContact O-N 2.98Å; I228-L231 PolarHBondContact O-N 3.17Å; I228-L231 VanDerWaalsContact O-N 3.12Å; V229-L231 VanDerWaalsContact C-N 3.35Å; V229-L231 PolarHBondContact O-N 2.78Å; L231-K233 VanDerWaalsContact C-N 3.33Å; L231-F234 PolarHBondContact O-N 3.12Å; L231-A235 VanDerWaalsContact O-CB 3.26Å; L231-A235 WeakPolarHBondContact O-CB 3.26Å; L231-A235 PolarHBondContact O-N 3.23Å |
| 232 | E | 91.7 | Very high | 89.9 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 49% | 0.486 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 171.9 | -72.7 | -173.2 | 147.8 | 0 | 0 | 110.8 | L147 I228 V229 A235 S236 | L147-E232 HydrophobicContact CD1-CG 3.82Å; L147-E232 HydrophobicContact CD2-CB 4.49Å; L147-E232 HydrophobicContact CD2-CG 3.43Å; L147-E232 VanDerWaalsContact CD2-CG 3.43Å; L147-E232 HydrophobicContact CG-CG 4.26Å; I228-E232 HydrophobicContact CG2-CG 4.28Å; I228-E232 WeakPolarHBondContact O-CG 3.45Å; I228-E232 PolarHBondContact O-N 3.39Å; V229-E232 PolarHBondContact O-N 3.35Å; E232-A235 PolarHBondContact O-N 3.3Å; E232-S236 WeakPolarHBondContact O-CB 3.37Å; E232-S236 PolarHBondContact O-N 2.92Å |
| 233 | K | 94.3 | Very high | 90.2 | Very high | 140 Ų | 140 | 63.1 Ų | 63.1 | 61% | 0.609 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.7 | -48.1 | 175.2 | -175.1 | -179.2 | 178.9 | -175 | 0 | 111.2 | V229 K230 L231 S236 | V229-K233 WeakPolarHBondContact O-CB 3.29Å; V229-K233 PolarHBondContact O-N 3.06Å; K230-K233 PolarHBondContact O-N 3.11Å; L231-K233 VanDerWaalsContact C-N 3.33Å; K233-S236 PolarHBondContact O-N 3.3Å; K233-S236 PolarHBondContact O-OG 2.82Å |
| 234 | F | 94.2 | Very high | 90.7 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 175 | 174.8 | -95.3 | 0 | 0 | 0 | 112 | K162 I163 P201 K230 L231 S236 Q237 L238 | K162-F234 HydrophobicContact CB-CZ 4.33Å; I163-F234 HydrophobicContact CG1-CE1 4.1Å; P201-F234 HydrophobicContact CB-CB 3.64Å; P201-F234 HydrophobicContact CB-CD1 4.34Å; P201-F234 HydrophobicContact CB-CD2 3.87Å; P201-F234 HydrophobicContact CB-CG 3.69Å; P201-F234 HydrophobicContact CG-CB 4.25Å; K230-F234 PolarHBondContact O-N 3.26Å; L231-F234 PolarHBondContact O-N 3.12Å; F234-S236 PolarHBondContact O-N 2.8Å; F234-Q237 WeakPolarHBondContact O-CB 3.39Å; F234-Q237 PolarHBondContact O-N 2.89Å; F234-L238 HydrophobicContact CE1-CD1 4.18Å; F234-L238 HydrophobicContact CE1-CD2 4.11Å; F234-L238 HydrophobicContact CE1-CG 4.43Å; F234-L238 HydrophobicContact CZ-CD2 4.12Å |
| 235 | A | 92.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 64.8 Ų | 64.8 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -31.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | A151 L231 E232 Q237 L238 | A151-A235 HydrophobicContact CB-CB 3.65Å; L231-A235 VanDerWaalsContact O-CB 3.26Å; L231-A235 WeakPolarHBondContact O-CB 3.26Å; L231-A235 PolarHBondContact O-N 3.23Å; E232-A235 PolarHBondContact O-N 3.3Å; A235-Q237 PolarHBondContact O-N 3.37Å; A235-L238 PolarHBondContact O-N 2.99Å |
| 236 | S | 91.4 | Very high | 91.7 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 60% | 0.601 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.1 | -22.1 | 176.5 | 78.9 | 0 | 0 | 0 | 0 | 113.8 | E232 K233 F234 | E232-S236 WeakPolarHBondContact O-CB 3.37Å; E232-S236 PolarHBondContact O-N 2.92Å; K233-S236 PolarHBondContact O-N 3.3Å; K233-S236 PolarHBondContact O-OG 2.82Å; F234-S236 PolarHBondContact O-N 2.8Å |
| 237 | Q | 93.1 | Very high | 91.9 | Very high | 121 Ų | 121 | 60.3 Ų | 60.3 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -87.4 | -13.5 | -180 | -62.7 | 172.5 | -6.9 | 0 | 0 | 112.8 | F234 A235 | F234-Q237 WeakPolarHBondContact O-CB 3.39Å; F234-Q237 PolarHBondContact O-N 2.89Å; A235-Q237 PolarHBondContact O-N 3.37Å |
| 238 | L | 93.2 | Very high | 92.1 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -72.6 | 135.5 | -178.6 | -60.2 | 177.9 | 0 | 0 | 0 | 111.4 | V155 D159 I163 F234 A235 R240 | V155-L238 HydrophobicContact CG1-CB 4.21Å; V155-L238 HydrophobicContact CG1-CD1 4.39Å; D159-L238 HydrophobicContact CB-CD2 4.27Å; I163-L238 HydrophobicContact CD1-CD1 3.7Å; I163-L238 HydrophobicContact CG1-CD1 4.08Å; F234-L238 HydrophobicContact CE1-CD1 4.18Å; F234-L238 HydrophobicContact CE1-CD2 4.11Å; F234-L238 HydrophobicContact CE1-CG 4.43Å; F234-L238 HydrophobicContact CZ-CD2 4.12Å; A235-L238 PolarHBondContact O-N 2.99Å; L238-R240 PolarHBondContact O-N 3.4Å |
| 239 | K | 92.3 | Very high | 92.2 | Very high | 187 Ų | 187 | 70.3 Ų | 70.3 | 81% | 0.813 | 35% | 0.345 | S | S | * | . | trans | -76.8 | 119.1 | 174.9 | -68.2 | -177.6 | -179.5 | 176.6 | 0 | 109.6 | ||||
| 240 | R | 91.1 | Very high | 92.2 | Very high | 74 Ų | 74 | 73 Ų | 73 | 28% | 0.279 | 35% | 0.349 | S | S | . | . | trans | -141.4 | 148.9 | 173 | 54.7 | -174.1 | 162.7 | -167.8 | -3.7 | 111.1 | V155 L238 H242 N243 | V155-R240 HydrophobicContact CG1-CB 4.1Å; L238-R240 PolarHBondContact O-N 3.4Å; R240-H242 VanDerWaalsContact C-N 3.29Å; R240-H242 PolarHBondContact O-N 3.46Å; R240-N243 PolarHBondContact NE-OD1 2.83Å; R240-N243 PolarHBondContact NH2-OD1 2.99Å | ||
| 241 | P | 88.8 | Confident | 92.3 | Very high | 101 Ų | 101 | 74.6 Ų | 74.6 | 66% | 0.656 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -71.9 | -21.3 | -176.9 | 27.3 | -34.5 | 0 | 0 | 0 | 113.8 | G154 | G154-P241 VanDerWaalsContact O-CD 3.25Å; G154-P241 WeakPolarHBondContact O-CD 3.3Å |
| 242 | H | 89.9 | Confident | 92.4 | Very high | 35 Ų | 35 | 76.1 Ų | 76.1 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -162.2 | 162.2 | 179.1 | 44.4 | -89.5 | 0 | 0 | 0 | 110.3 | R240 F244 L256 I257 | R240-H242 VanDerWaalsContact C-N 3.29Å; R240-H242 PolarHBondContact O-N 3.46Å; H242-F244 AromaticContact CD2-CE2 3.68Å; H242-F244 AromaticContact CD2-CZ 3.51Å; H242-F244 AromaticContact NE2-CE2 3.94Å; H242-F244 AromaticContact NE2-CZ 3.36Å; H242-F244 WeakPolarHBondContact NE2-CZ 3.35Å; H242-L256 VanDerWaalsContact CB-O 3.3Å; H242-L256 WeakPolarHBondContact CB-O 3.49Å; H242-I257 HydrophobicContact CB-CG1 3.92Å |
| 243 | N | 90.5 | Very high | 92.5 | Very high | 81 Ų | 81 | 73.7 Ų | 73.7 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 169.4 | 171.4 | -73.1 | -44.2 | 0 | 0 | 0 | 111 | R240 L256 | R240-N243 PolarHBondContact NE-OD1 2.83Å; R240-N243 PolarHBondContact NH2-OD1 2.99Å; N243-L256 HydrophobicContact CB-CB 4.33Å; N243-L256 HydrophobicContact CB-CD1 4.21Å; N243-L256 WeakPolarHBondContact O-CB 3.41Å; N243-L256 PolarHBondContact O-N 3.12Å |
| 244 | F | 93.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 69 Ų | 69 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 142.5 | 177.3 | -64.3 | -99.3 | 0 | 0 | 0 | 109.7 | L150 L153 H242 L253 T254 K255 | L150-F244 HydrophobicContact CD2-CB 4.48Å; L153-F244 HydrophobicContact CB-CD2 3.56Å; L153-F244 HydrophobicContact CB-CE1 4.4Å; L153-F244 HydrophobicContact CB-CE2 3.39Å; L153-F244 HydrophobicContact CB-CG 4.19Å; L153-F244 HydrophobicContact CB-CZ 3.85Å; L153-F244 HydrophobicContact CD1-CB 4.03Å; L153-F244 HydrophobicContact CD1-CD1 3.93Å; L153-F244 HydrophobicContact CD1-CD2 3.91Å; L153-F244 HydrophobicContact CD1-CE1 4.35Å; L153-F244 HydrophobicContact CD1-CE2 4.38Å; L153-F244 HydrophobicContact CD1-CG 3.69Å; L153-F244 HydrophobicContact CG-CD2 4.42Å; H242-F244 AromaticContact CD2-CE2 3.68Å; H242-F244 AromaticContact CD2-CZ 3.51Å; H242-F244 AromaticContact NE2-CE2 3.94Å; H242-F244 AromaticContact NE2-CZ 3.36Å; H242-F244 WeakPolarHBondContact NE2-CZ 3.35Å; F244-L253 HydrophobicContact CB-CD2 4.32Å; F244-L253 HydrophobicContact CD1-CB 4.34Å; F244-T254 WeakPolarHBondContact CA-O 3.31Å; F244-K255 HydrophobicContact CD1-CG 3.97Å; F244-K255 HydrophobicContact CE1-CD 4.33Å; F244-K255 HydrophobicContact CE1-CG 3.53Å; F244-K255 HydrophobicContact CZ-CG 4.27Å |
| 245 | W | 93.8 | Very high | 92.5 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 21% | 0.205 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.3 | 166.9 | 174.9 | 69.3 | 0 | 0 | 0 | 109.2 | D247 L253 T254 L256 V265 | W245-D247 HydrophobicContact CE3-CB 4.08Å; W245-D247 HydrophobicContact CH2-CB 3.58Å; W245-D247 HydrophobicContact CZ2-CB 4.34Å; W245-D247 HydrophobicContact CZ3-CB 3.43Å; W245-D247 VanDerWaalsContact CZ3-CB 3.43Å; W245-L253 WeakPolarHBondContact O-CA 3.35Å; W245-T254 PolarHBondContact N-O 2.98Å; W245-T254 PolarHBondContact O-N 2.93Å; W245-L256 HydrophobicContact CB-CD1 4.21Å; W245-L256 HydrophobicContact CB-CD2 4.21Å; W245-L256 HydrophobicContact CB-CG 4.39Å; W245-V265 HydrophobicContact CB-CG1 4.29Å; W245-V265 HydrophobicContact CB-CG2 4.09Å; W245-V265 HydrophobicContact CD2-CB 4.42Å; W245-V265 HydrophobicContact CD2-CG1 3.73Å; W245-V265 HydrophobicContact CD2-CG2 3.77Å; W245-V265 HydrophobicContact CE3-CG1 4.38Å; W245-V265 HydrophobicContact CE3-CG2 3.65Å; W245-V265 HydrophobicContact CG-CB 4.49Å; W245-V265 HydrophobicContact CG-CG1 3.64Å; W245-V265 HydrophobicContact CG-CG2 3.97Å; W245-V265 HydrophobicContact CZ3-CG2 4.34Å |
| 246 | Y | 95.4 | Very high | 92.6 | Very high | 26 Ų | 26 | 75 Ų | 75 | 10% | 0.102 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.5 | 172.8 | 176.2 | -109.3 | 0 | 0 | 0 | 109.7 | L102 P248 L253 | L102-Y246 HydrophobicContact CD2-CD2 4.29Å; L102-Y246 HydrophobicContact CD2-CE2 4.12Å; Y246-P248 HydrophobicContact CD1-CB 4.38Å; Y246-P248 HydrophobicContact CE1-CB 3.91Å; Y246-P248 VanDerWaalsContact O-CD 3.27Å; Y246-P248 WeakPolarHBondContact O-CD 3.44Å; Y246-L253 HydrophobicContact CD2-CD2 4.24Å |
| 247 | D | 93.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 76.2 Ų | 76.2 | 3% | 0.032 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 104.7 | 172.2 | -172.6 | -31.6 | 0 | 0 | 0 | 108.4 | W245 Y249 K250 Q251 S252 | W245-D247 HydrophobicContact CE3-CB 4.08Å; W245-D247 HydrophobicContact CH2-CB 3.58Å; W245-D247 HydrophobicContact CZ2-CB 4.34Å; W245-D247 HydrophobicContact CZ3-CB 3.43Å; W245-D247 VanDerWaalsContact CZ3-CB 3.43Å; D247-Y249 VanDerWaalsContact C-N 3.28Å; D247-Y249 PolarHBondContact O-N 3.45Å; D247-Y249 WeakPolarHBondContact OD1-CB 3.41Å; D247-Y249 PolarHBondContact OD1-N 3.29Å; D247-K250 HydrophobicContact CB-CB 4.23Å; D247-K250 PolarHBondContact O-N 3.27Å; D247-K250 PolarHBondContact OD1-N 2.96Å; D247-K250 VanDerWaalsContact OD1-N 3.12Å; D247-K250 VanDerWaalsContact OD2-CD 3.32Å; D247-K250 WeakPolarHBondContact OD2-CD 3.5Å; D247-K250 WeakPolarHBondContact OD2-CE 3.43Å; D247-K250 IonicContact OD2-NZ 3.42Å; D247-K250 PolarHBondContact OD2-NZ 3.26Å; D247-Q251 VanDerWaalsContact O-CA 3.31Å; D247-Q251 WeakPolarHBondContact O-CA 3.49Å; D247-Q251 PolarHBondContact O-N 2.79Å; D247-S252 PolarHBondContact N-O 3.29Å; D247-S252 PolarHBondContact O-N 3.32Å |
| 248 | P | 91.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 73.9 Ų | 73.9 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -26.6 | -176.9 | 28.1 | -35.3 | 0 | 0 | 0 | 112.9 | Y246 | Y246-P248 HydrophobicContact CD1-CB 4.38Å; Y246-P248 HydrophobicContact CE1-CB 3.91Å; Y246-P248 VanDerWaalsContact O-CD 3.27Å; Y246-P248 WeakPolarHBondContact O-CD 3.44Å |
| 249 | Y | 90.4 | Very high | 92.9 | Very high | 168 Ų | 168 | 82.3 Ų | 82.3 | 66% | 0.659 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -37.1 | 179.6 | -62.8 | -78 | 0 | 0 | 0 | 111.6 | D247 E272 | D247-Y249 VanDerWaalsContact C-N 3.28Å; D247-Y249 PolarHBondContact O-N 3.45Å; D247-Y249 WeakPolarHBondContact OD1-CB 3.41Å; D247-Y249 PolarHBondContact OD1-N 3.29Å; Y249-E272 PolarHBondContact OH-OE1 3.39Å |
| 250 | K | 91.8 | Very high | 93 | Very high | 146 Ų | 146 | 76.4 Ų | 76.4 | 64% | 0.635 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -7.7 | 177.4 | -62.1 | -178.3 | -162.6 | 122.5 | 0 | 113.5 | D247 S252 | D247-K250 HydrophobicContact CB-CB 4.23Å; D247-K250 PolarHBondContact O-N 3.27Å; D247-K250 PolarHBondContact OD1-N 2.96Å; D247-K250 VanDerWaalsContact OD1-N 3.12Å; D247-K250 VanDerWaalsContact OD2-CD 3.32Å; D247-K250 WeakPolarHBondContact OD2-CD 3.5Å; D247-K250 WeakPolarHBondContact OD2-CE 3.43Å; D247-K250 IonicContact OD2-NZ 3.42Å; D247-K250 PolarHBondContact OD2-NZ 3.26Å; K250-S252 VanDerWaalsContact C-N 3.25Å; K250-S252 WeakPolarHBondContact CB-OG 3.36Å; K250-S252 PolarHBondContact O-N 3.03Å |
| 251 | Q | 92.7 | Very high | 93.2 | Very high | 71 Ų | 71 | 75.1 Ų | 75.1 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 47.2 | -173.2 | -49 | -165.8 | -79.1 | 0 | 0 | 111.6 | D247 | D247-Q251 VanDerWaalsContact O-CA 3.31Å; D247-Q251 WeakPolarHBondContact O-CA 3.49Å; D247-Q251 PolarHBondContact O-N 2.79Å |
| 252 | S | 94.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 74 Ų | 74 | 28% | 0.28 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.3 | -170.3 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | D247 K250 | D247-S252 PolarHBondContact N-O 3.29Å; D247-S252 PolarHBondContact O-N 3.32Å; K250-S252 VanDerWaalsContact C-N 3.25Å; K250-S252 WeakPolarHBondContact CB-OG 3.36Å; K250-S252 PolarHBondContact O-N 3.03Å |
| 253 | L | 94.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 76.3 Ų | 76.3 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.9 | 178.3 | -68.3 | 162.5 | 0 | 0 | 0 | 110.6 | A101 L102 L150 L153 F244 W245 Y246 | A101-L253 HydrophobicContact CB-CD1 4.3Å; L102-L253 HydrophobicContact CD2-CD1 3.86Å; L102-L253 HydrophobicContact CD2-CG 3.71Å; L102-L253 HydrophobicContact CG-CD1 4.09Å; L102-L253 HydrophobicContact CG-CG 4.44Å; L150-L253 HydrophobicContact CD2-CD2 3.54Å; L153-L253 HydrophobicContact CD1-CD1 3.6Å; L153-L253 HydrophobicContact CD1-CD2 4.1Å; L153-L253 HydrophobicContact CD1-CG 4.45Å; F244-L253 HydrophobicContact CB-CD2 4.32Å; F244-L253 HydrophobicContact CD1-CB 4.34Å; W245-L253 WeakPolarHBondContact O-CA 3.35Å; Y246-L253 HydrophobicContact CD2-CD2 4.24Å |
| 254 | T | 93.4 | Very high | 93.9 | Very high | 42 Ų | 42 | 79 Ų | 79 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.9 | 169.7 | -58.8 | 0 | 0 | 0 | 0 | 109.1 | F244 W245 L256 | F244-T254 WeakPolarHBondContact CA-O 3.31Å; W245-T254 PolarHBondContact N-O 2.98Å; W245-T254 PolarHBondContact O-N 2.93Å; T254-L256 HydrophobicContact CG2-CD2 4.4Å |
| 255 | K | 94.7 | Very high | 94 | Very high | 115 Ų | 115 | 77.7 Ų | 77.7 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.4 | 171.6 | -67.2 | 178.8 | 176.9 | -179.2 | 0 | 109.5 | F244 I257 | F244-K255 HydrophobicContact CD1-CG 3.97Å; F244-K255 HydrophobicContact CE1-CD 4.33Å; F244-K255 HydrophobicContact CE1-CG 3.53Å; F244-K255 HydrophobicContact CZ-CG 4.27Å; K255-I257 HydrophobicContact CB-CD1 4.09Å; K255-I257 HydrophobicContact CB-CG1 4.02Å; K255-I257 HydrophobicContact CD-CD1 4.27Å |
| 256 | L | 94.2 | Very high | 94 | Very high | 35 Ų | 35 | 77.6 Ų | 77.6 | 18% | 0.183 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 84.7 | 177.3 | -54.4 | -178 | 0 | 0 | 0 | 108.9 | H242 N243 W245 T254 D261 V262 V265 | H242-L256 VanDerWaalsContact CB-O 3.3Å; H242-L256 WeakPolarHBondContact CB-O 3.49Å; N243-L256 HydrophobicContact CB-CB 4.33Å; N243-L256 HydrophobicContact CB-CD1 4.21Å; N243-L256 WeakPolarHBondContact O-CB 3.41Å; N243-L256 PolarHBondContact O-N 3.12Å; W245-L256 HydrophobicContact CB-CD1 4.21Å; W245-L256 HydrophobicContact CB-CD2 4.21Å; W245-L256 HydrophobicContact CB-CG 4.39Å; T254-L256 HydrophobicContact CG2-CD2 4.4Å; L256-D261 HydrophobicContact CD2-CB 4.16Å; L256-V262 HydrophobicContact CB-CG2 4.3Å; L256-V265 HydrophobicContact CD2-CG2 3.81Å |
| 257 | I | 94.2 | Very high | 94 | Very high | 110 Ų | 110 | 82.9 Ų | 82.9 | 56% | 0.564 | 42% | 0.416 | S | S | * | . | trans | -100.4 | -42 | -174.4 | -58.9 | 174.6 | 0 | 0 | 0 | 110.2 | H242 K255 D261 | H242-I257 HydrophobicContact CB-CG1 3.92Å; K255-I257 HydrophobicContact CB-CD1 4.09Å; K255-I257 HydrophobicContact CB-CG1 4.02Å; K255-I257 HydrophobicContact CD-CD1 4.27Å; I257-D261 PolarHBondContact N-OD2 3.27Å; I257-D261 VanDerWaalsContact N-OD2 3.11Å | ||
| 258 | T | 94.8 | Very high | 93.9 | Very high | 72 Ų | 72 | 86.4 Ų | 86.4 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -111.7 | 162.1 | -175 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | A260 D261 V262 | T258-A260 PolarHBondContact O-N 3.44Å; T258-A260 PolarHBondContact OG1-N 3.34Å; T258-D261 PolarHBondContact N-OD2 3.27Å; T258-D261 WeakPolarHBondContact O-CB 3.29Å; T258-D261 PolarHBondContact O-N 3.13Å; T258-D261 VanDerWaalsContact O-N 3.13Å; T258-D261 PolarHBondContact OG1-N 3.28Å; T258-D261 PolarHBondContact OG1-OD2 3.15Å; T258-V262 PolarHBondContact O-N 3.27Å |
| 259 | R | 94 | Very high | 93.9 | Very high | 199 Ų | 199 | 87 Ų | 87 | 75% | 0.751 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -55.4 | -36.8 | 170.2 | 178.8 | 176.1 | 169.2 | 169.9 | 0.8 | 112.1 | D261 V262 E263 | R259-D261 VanDerWaalsContact C-N 3.33Å; R259-D261 PolarHBondContact O-N 2.89Å; R259-V262 PolarHBondContact O-N 3.39Å; R259-E263 HydrophobicContact CG-CG 4.26Å; R259-E263 IonicContact CZ-OE1 3.46Å; R259-E263 IonicContact NE-OE1 2.77Å; R259-E263 PolarHBondContact NE-OE1 2.85Å; R259-E263 IonicContact NH2-OE1 3.28Å; R259-E263 PolarHBondContact NH2-OE1 3.34Å; R259-E263 WeakPolarHBondContact O-CB 3.3Å; R259-E263 WeakPolarHBondContact O-CG 3.49Å; R259-E263 PolarHBondContact O-N 3.45Å |
| 260 | A | 95.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 86.4 Ų | 86.4 | 51% | 0.512 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T258 E263 K264 | T258-A260 PolarHBondContact O-N 3.44Å; T258-A260 PolarHBondContact OG1-N 3.34Å; A260-E263 PolarHBondContact O-N 2.97Å; A260-K264 WeakPolarHBondContact O-CB 3.45Å; A260-K264 PolarHBondContact O-N 3.46Å |
| 261 | D | 95 | Very high | 94.1 | Very high | 47 Ų | 47 | 84.8 Ų | 84.8 | 25% | 0.251 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.5 | -57.5 | -43.5 | 0 | 0 | 0 | 110.8 | L256 I257 T258 R259 K264 V265 | L256-D261 HydrophobicContact CD2-CB 4.16Å; I257-D261 PolarHBondContact N-OD2 3.27Å; I257-D261 VanDerWaalsContact N-OD2 3.11Å; T258-D261 PolarHBondContact N-OD2 3.27Å; T258-D261 WeakPolarHBondContact O-CB 3.29Å; T258-D261 PolarHBondContact O-N 3.13Å; T258-D261 VanDerWaalsContact O-N 3.13Å; T258-D261 PolarHBondContact OG1-N 3.28Å; T258-D261 PolarHBondContact OG1-OD2 3.15Å; R259-D261 VanDerWaalsContact C-N 3.33Å; R259-D261 PolarHBondContact O-N 2.89Å; D261-K264 PolarHBondContact O-N 2.99Å; D261-V265 PolarHBondContact O-N 3.33Å; D261-V265 VanDerWaalsContact O-N 3.15Å |
| 262 | V | 94.3 | Very high | 94 | Very high | 79 Ų | 79 | 84.7 Ų | 84.7 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 111 | L256 T258 R259 K264 V265 A266 | L256-V262 HydrophobicContact CB-CG2 4.3Å; T258-V262 PolarHBondContact O-N 3.27Å; R259-V262 PolarHBondContact O-N 3.39Å; V262-K264 VanDerWaalsContact C-N 3.29Å; V262-K264 PolarHBondContact O-N 3.3Å; V262-V265 PolarHBondContact O-N 2.88Å; V262-A266 WeakPolarHBondContact O-CB 3.39Å; V262-A266 PolarHBondContact O-N 3.37Å |
| 263 | E | 96 | Very high | 94 | Very high | 82 Ų | 82 | 89 Ų | 89 | 38% | 0.383 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 177.3 | -75.8 | 177.9 | 176.7 | 0 | 0 | 112.3 | R259 A260 K267 | R259-E263 HydrophobicContact CG-CG 4.26Å; R259-E263 IonicContact CZ-OE1 3.46Å; R259-E263 IonicContact NE-OE1 2.77Å; R259-E263 PolarHBondContact NE-OE1 2.85Å; R259-E263 IonicContact NH2-OE1 3.28Å; R259-E263 PolarHBondContact NH2-OE1 3.34Å; R259-E263 WeakPolarHBondContact O-CB 3.3Å; R259-E263 WeakPolarHBondContact O-CG 3.49Å; R259-E263 PolarHBondContact O-N 3.45Å; A260-E263 PolarHBondContact O-N 2.97Å; E263-K267 VanDerWaalsContact O-CG 3.29Å; E263-K267 WeakPolarHBondContact O-CG 3.34Å; E263-K267 PolarHBondContact O-N 3.49Å |
| 264 | K | 94.1 | Very high | 94 | Very high | 137 Ų | 137 | 88.6 Ų | 88.6 | 60% | 0.596 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.6 | -47.8 | 175 | -176.4 | -179.2 | 177.9 | -178.8 | 0 | 111.3 | A260 D261 V262 K267 E268 | A260-K264 WeakPolarHBondContact O-CB 3.45Å; A260-K264 PolarHBondContact O-N 3.46Å; D261-K264 PolarHBondContact O-N 2.99Å; V262-K264 VanDerWaalsContact C-N 3.29Å; V262-K264 PolarHBondContact O-N 3.3Å; K264-K267 PolarHBondContact O-N 3.49Å; K264-E268 PolarHBondContact O-N 3.26Å |
| 265 | V | 94.3 | Very high | 93.9 | Very high | 13 Ų | 13 | 91.6 Ų | 91.6 | 8% | 0.079 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111.2 | W245 L256 D261 V262 K267 E268 L269 | W245-V265 HydrophobicContact CB-CG1 4.29Å; W245-V265 HydrophobicContact CB-CG2 4.09Å; W245-V265 HydrophobicContact CD2-CB 4.42Å; W245-V265 HydrophobicContact CD2-CG1 3.73Å; W245-V265 HydrophobicContact CD2-CG2 3.77Å; W245-V265 HydrophobicContact CE3-CG1 4.38Å; W245-V265 HydrophobicContact CE3-CG2 3.65Å; W245-V265 HydrophobicContact CG-CB 4.49Å; W245-V265 HydrophobicContact CG-CG1 3.64Å; W245-V265 HydrophobicContact CG-CG2 3.97Å; W245-V265 HydrophobicContact CZ3-CG2 4.34Å; L256-V265 HydrophobicContact CD2-CG2 3.81Å; D261-V265 PolarHBondContact O-N 3.33Å; D261-V265 VanDerWaalsContact O-N 3.15Å; V262-V265 PolarHBondContact O-N 2.88Å; V265-K267 VanDerWaalsContact C-N 3.27Å; V265-K267 PolarHBondContact O-N 2.93Å; V265-E268 PolarHBondContact O-N 3.06Å; V265-L269 HydrophobicContact CG1-CD1 4.03Å; V265-L269 HydrophobicContact CG1-CG 4.27Å; V265-L269 WeakPolarHBondContact O-CG 3.49Å; V265-L269 PolarHBondContact O-N 3.13Å |
| 266 | A | 94.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 90.1 Ų | 90.1 | 44% | 0.438 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V262 L269 K270 | V262-A266 WeakPolarHBondContact O-CB 3.39Å; V262-A266 PolarHBondContact O-N 3.37Å; A266-L269 PolarHBondContact O-N 3.33Å; A266-K270 VanDerWaalsContact O-CB 3.3Å; A266-K270 WeakPolarHBondContact O-CB 3.49Å; A266-K270 PolarHBondContact O-N 2.97Å |
| 267 | K | 94.4 | Very high | 93.8 | Very high | 137 Ų | 137 | 92 Ų | 92 | 60% | 0.596 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.7 | -40.7 | 173.7 | -76.8 | 171 | -176.4 | 175.2 | 0 | 112.4 | E263 K264 V265 K270 K271 | E263-K267 VanDerWaalsContact O-CG 3.29Å; E263-K267 WeakPolarHBondContact O-CG 3.34Å; E263-K267 PolarHBondContact O-N 3.49Å; K264-K267 PolarHBondContact O-N 3.49Å; V265-K267 VanDerWaalsContact C-N 3.27Å; V265-K267 PolarHBondContact O-N 2.93Å; K267-K270 PolarHBondContact O-N 3.05Å; K267-K271 PolarHBondContact O-N 3.14Å |
| 268 | E | 91.6 | Very high | 93.7 | Very high | 80 Ų | 80 | 93.4 Ų | 93.4 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 176 | -64 | -51.5 | 139 | 0 | 0 | 111.4 | K264 V265 K270 K271 E272 | K264-E268 PolarHBondContact O-N 3.26Å; V265-E268 PolarHBondContact O-N 3.06Å; E268-K270 VanDerWaalsContact C-N 3.28Å; E268-K270 PolarHBondContact O-N 2.95Å; E268-K271 WeakPolarHBondContact O-CB 3.43Å; E268-K271 PolarHBondContact O-N 3.33Å; E268-K271 IonicContact OE1-NZ 2.71Å; E268-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 IonicContact OE2-NZ 3.01Å; E268-K271 PolarHBondContact OE2-NZ 3.18Å; E268-E272 PolarHBondContact O-N 3.07Å |
| 269 | L | 92.2 | Very high | 93.5 | Very high | 86 Ų | 86 | 96.6 Ų | 96.6 | 45% | 0.45 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 175.6 | -66.7 | 176.8 | 0 | 0 | 0 | 112.2 | V265 A266 K271 E272 M273 | V265-L269 HydrophobicContact CG1-CD1 4.03Å; V265-L269 HydrophobicContact CG1-CG 4.27Å; V265-L269 WeakPolarHBondContact O-CG 3.49Å; V265-L269 PolarHBondContact O-N 3.13Å; A266-L269 PolarHBondContact O-N 3.33Å; L269-K271 VanDerWaalsContact C-N 3.27Å; L269-K271 PolarHBondContact O-N 3.34Å; L269-E272 PolarHBondContact O-N 3.35Å; L269-E272 VanDerWaalsContact O-N 3.13Å; L269-M273 WeakPolarHBondContact O-CG 3.31Å; L269-M273 PolarHBondContact O-N 3.42Å |
| 270 | K | 94.5 | Very high | 93.4 | Very high | 157 Ų | 157 | 91.4 Ų | 91.4 | 68% | 0.683 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.6 | -34.5 | 175 | -173.6 | 176.1 | -179.4 | 177.5 | 0 | 112.4 | A266 K267 E268 A274 | A266-K270 VanDerWaalsContact O-CB 3.3Å; A266-K270 WeakPolarHBondContact O-CB 3.49Å; A266-K270 PolarHBondContact O-N 2.97Å; K267-K270 PolarHBondContact O-N 3.05Å; E268-K270 VanDerWaalsContact C-N 3.28Å; E268-K270 PolarHBondContact O-N 2.95Å; K270-A274 WeakPolarHBondContact O-CB 3.15Å; K270-A274 PolarHBondContact O-N 3Å |
| 271 | K | 92.8 | Very high | 93.1 | Very high | 111 Ų | 111 | 92.5 Ų | 92.5 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 175.1 | -64.3 | 173.2 | -166.2 | 162.9 | 0 | 111.5 | K267 E268 L269 A274 R275 | K267-K271 PolarHBondContact O-N 3.14Å; E268-K271 WeakPolarHBondContact O-CB 3.43Å; E268-K271 PolarHBondContact O-N 3.33Å; E268-K271 IonicContact OE1-NZ 2.71Å; E268-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 IonicContact OE2-NZ 3.01Å; E268-K271 PolarHBondContact OE2-NZ 3.18Å; L269-K271 VanDerWaalsContact C-N 3.27Å; L269-K271 PolarHBondContact O-N 3.34Å; K271-A274 PolarHBondContact O-N 3.27Å; K271-R275 PolarHBondContact O-N 3.11Å; K271-R275 VanDerWaalsContact O-N 3.14Å |
| 272 | E | 90.9 | Very high | 92.9 | Very high | 70 Ų | 70 | 94.7 Ų | 94.7 | 33% | 0.327 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 175.7 | -62 | -61.7 | 168.6 | 0 | 0 | 111.5 | Y249 E268 L269 A274 R275 C276 | Y249-E272 PolarHBondContact OH-OE1 3.39Å; E268-E272 PolarHBondContact O-N 3.07Å; L269-E272 PolarHBondContact O-N 3.35Å; L269-E272 VanDerWaalsContact O-N 3.13Å; E272-A274 VanDerWaalsContact C-N 3.29Å; E272-A274 PolarHBondContact O-N 3.15Å; E272-R275 WeakPolarHBondContact O-CA 3.47Å; E272-R275 WeakPolarHBondContact O-CB 3.46Å; E272-R275 PolarHBondContact O-N 3.28Å; E272-R275 IonicContact OE1-CZ 3.77Å; E272-R275 IonicContact OE1-NH1 3.5Å; E272-R275 PolarHBondContact OE1-NH1 2.71Å; E272-R275 VanDerWaalsContact OE2-CD 3.24Å; E272-R275 WeakPolarHBondContact OE2-CD 3.41Å; E272-R275 IonicContact OE2-CZ 3.98Å; E272-R275 IonicContact OE2-NE 2.78Å; E272-R275 IonicContact OE2-NH1 3.85Å; E272-R275 PolarHBondContact OE2-NH1 2.78Å; E272-C276 PolarHBondContact O-N 3.02Å |
| 273 | M | 93.9 | Very high | 92.8 | Very high | 131 Ų | 131 | 95.6 Ų | 95.6 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.5 | -41.5 | 172.5 | -70.2 | -179.1 | 72.7 | 0 | 0 | 111.8 | L269 R275 C276 C277 | L269-M273 WeakPolarHBondContact O-CG 3.31Å; L269-M273 PolarHBondContact O-N 3.42Å; M273-R275 VanDerWaalsContact C-N 3.28Å; M273-R275 PolarHBondContact O-N 3.35Å; M273-C276 WeakPolarHBondContact O-CA 3.26Å; M273-C276 VanDerWaalsContact O-CB 3.31Å; M273-C276 WeakPolarHBondContact O-CB 3.14Å; M273-C276 PolarHBondContact O-N 2.65Å; M273-C276 VanDerWaalsContact O-N 3.11Å; M273-C277 PolarHBondContact O-N 3.25Å; M273-C277 PolarHBondContact O-SG 3.15Å; M273-C277 VanDerWaalsContact O-SG 3.33Å |
| 274 | A | 94 | Very high | 92.5 | Very high | 42 Ų | 42 | 95.6 Ų | 95.6 | 35% | 0.347 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -31.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K270 K271 E272 R278 | K270-A274 WeakPolarHBondContact O-CB 3.15Å; K270-A274 PolarHBondContact O-N 3Å; K271-A274 PolarHBondContact O-N 3.27Å; E272-A274 VanDerWaalsContact C-N 3.29Å; E272-A274 PolarHBondContact O-N 3.15Å; A274-R278 PolarHBondContact O-N 3.04Å; A274-R278 PolarHBondContact O-NH1 2.9Å |
| 275 | R | 92.5 | Very high | 92.2 | Very high | 106 Ų | 106 | 96 Ų | 96 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 170.1 | -70.9 | 165.6 | 177.4 | 176.5 | -0.1 | 110.5 | K271 E272 M273 C277 R278 F279 | K271-R275 PolarHBondContact O-N 3.11Å; K271-R275 VanDerWaalsContact O-N 3.14Å; E272-R275 WeakPolarHBondContact O-CA 3.47Å; E272-R275 WeakPolarHBondContact O-CB 3.46Å; E272-R275 PolarHBondContact O-N 3.28Å; E272-R275 IonicContact OE1-CZ 3.77Å; E272-R275 IonicContact OE1-NH1 3.5Å; E272-R275 PolarHBondContact OE1-NH1 2.71Å; E272-R275 VanDerWaalsContact OE2-CD 3.24Å; E272-R275 WeakPolarHBondContact OE2-CD 3.41Å; E272-R275 IonicContact OE2-CZ 3.98Å; E272-R275 IonicContact OE2-NE 2.78Å; E272-R275 IonicContact OE2-NH1 3.85Å; E272-R275 PolarHBondContact OE2-NH1 2.78Å; M273-R275 VanDerWaalsContact C-N 3.28Å; M273-R275 PolarHBondContact O-N 3.35Å; R275-C277 VanDerWaalsContact C-N 3.3Å; R275-C277 PolarHBondContact O-N 3.35Å; R275-R278 PolarHBondContact O-N 3.37Å; R275-R278 VanDerWaalsContact O-N 3.15Å; R275-F279 WeakPolarHBondContact O-CD2 3.42Å; R275-F279 PolarHBondContact O-N 3.38Å |
| 276 | C | 92.5 | Very high | 91.4 | Very high | 84 Ų | 84 | 102.2 Ų | 102.2 | 57% | 0.568 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.9 | -43.9 | 176.2 | -170.2 | 0 | 0 | 0 | 0 | 112 | E272 M273 R278 F279 N280 | E272-C276 PolarHBondContact O-N 3.02Å; M273-C276 WeakPolarHBondContact O-CA 3.26Å; M273-C276 VanDerWaalsContact O-CB 3.31Å; M273-C276 WeakPolarHBondContact O-CB 3.14Å; M273-C276 PolarHBondContact O-N 2.65Å; M273-C276 VanDerWaalsContact O-N 3.11Å; C276-R278 PolarHBondContact O-N 3.36Å; C276-F279 PolarHBondContact O-N 3.49Å; C276-N280 PolarHBondContact O-N 3.03Å |
| 277 | C | 93.1 | Very high | 90 | Very high | 74 Ų | 74 | 112.6 Ų | 112.6 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | M273 R275 F279 N280 D281 | M273-C277 PolarHBondContact O-N 3.25Å; M273-C277 PolarHBondContact O-SG 3.15Å; M273-C277 VanDerWaalsContact O-SG 3.33Å; R275-C277 VanDerWaalsContact C-N 3.3Å; R275-C277 PolarHBondContact O-N 3.35Å; C277-F279 VanDerWaalsContact C-N 3.3Å; C277-F279 PolarHBondContact O-N 2.9Å; C277-N280 WeakPolarHBondContact O-CB 3.44Å; C277-N280 PolarHBondContact O-N 2.77Å; C277-N280 VanDerWaalsContact O-N 3.09Å; C277-D281 VanDerWaalsContact O-CG 3.26Å; C277-D281 PolarHBondContact O-N 3.28Å |
| 278 | R | 91.9 | Very high | 89.8 | Confident | 140 Ų | 140 | 111.4 Ų | 111.4 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 176.8 | -71.2 | -170.1 | -62.7 | -84.1 | 5.6 | 113.1 | A274 R275 C276 L282 | A274-R278 PolarHBondContact O-N 3.04Å; A274-R278 PolarHBondContact O-NH1 2.9Å; R275-R278 PolarHBondContact O-N 3.37Å; R275-R278 VanDerWaalsContact O-N 3.15Å; C276-R278 PolarHBondContact O-N 3.36Å; R278-L282 WeakPolarHBondContact O-CG 3.5Å; R278-L282 PolarHBondContact O-N 3.33Å; R278-L282 VanDerWaalsContact O-N 3.15Å |
| 279 | F | 90.9 | Very high | 89.7 | Confident | 139 Ų | 139 | 113.1 Ų | 113.1 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.5 | -40.4 | 173.7 | -78.4 | -67.4 | 0 | 0 | 0 | 111.9 | R275 C276 C277 D281 L282 L283 | R275-F279 WeakPolarHBondContact O-CD2 3.42Å; R275-F279 PolarHBondContact O-N 3.38Å; C276-F279 PolarHBondContact O-N 3.49Å; C277-F279 VanDerWaalsContact C-N 3.3Å; C277-F279 PolarHBondContact O-N 2.9Å; F279-D281 VanDerWaalsContact C-N 3.34Å; F279-L282 HydrophobicContact CD1-CD1 4.46Å; F279-L282 WeakPolarHBondContact O-CB 3.46Å; F279-L282 PolarHBondContact O-N 3.09Å; F279-L283 WeakPolarHBondContact O-CG 3.49Å; F279-L283 PolarHBondContact O-N 2.91Å |
| 280 | N | 91.3 | Very high | 89.5 | Confident | 89 Ų | 89 | 114.6 Ų | 114.6 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -41.2 | 176.1 | -167.1 | 72.7 | 0 | 0 | 0 | 111.6 | C276 C277 L282 L283 C284 | C276-N280 PolarHBondContact O-N 3.03Å; C277-N280 WeakPolarHBondContact O-CB 3.44Å; C277-N280 PolarHBondContact O-N 2.77Å; C277-N280 VanDerWaalsContact O-N 3.09Å; N280-L282 VanDerWaalsContact C-N 3.32Å; N280-L282 PolarHBondContact O-N 3.34Å; N280-L283 WeakPolarHBondContact O-CB 3.48Å; N280-L283 PolarHBondContact O-N 3.16Å; N280-L283 VanDerWaalsContact O-N 3.16Å; N280-C284 PolarHBondContact O-N 3.42Å; N280-C284 PolarHBondContact O-SG 2.96Å; N280-C284 VanDerWaalsContact O-SG 3.34Å |
| 281 | D | 91 | Very high | 89.2 | Confident | 86 Ų | 86 | 112.1 Ų | 112.1 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.1 | -61.4 | -24.2 | 0 | 0 | 0 | 111.4 | C277 F279 L283 C284 H285 | C277-D281 VanDerWaalsContact O-CG 3.26Å; C277-D281 PolarHBondContact O-N 3.28Å; F279-D281 VanDerWaalsContact C-N 3.34Å; D281-L283 PolarHBondContact O-N 3.16Å; D281-C284 PolarHBondContact O-N 3.07Å; D281-H285 PolarHBondContact O-CD2 2.98Å; D281-H285 PolarHBondContact O-N 3.5Å; D281-H285 VanDerWaalsContact O-N 3.16Å |
| 282 | L | 91.2 | Very high | 89 | Confident | 92 Ų | 92 | 112.1 Ų | 112.1 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 174.1 | -72.5 | 169.3 | 0 | 0 | 0 | 112.3 | R278 F279 N280 C284 H285 H286 | R278-L282 WeakPolarHBondContact O-CG 3.5Å; R278-L282 PolarHBondContact O-N 3.33Å; R278-L282 VanDerWaalsContact O-N 3.15Å; F279-L282 HydrophobicContact CD1-CD1 4.46Å; F279-L282 WeakPolarHBondContact O-CB 3.46Å; F279-L282 PolarHBondContact O-N 3.09Å; N280-L282 VanDerWaalsContact C-N 3.32Å; N280-L282 PolarHBondContact O-N 3.34Å; L282-C284 VanDerWaalsContact C-N 3.32Å; L282-H285 PolarHBondContact O-N 3.29Å; L282-H286 WeakPolarHBondContact O-CB 3.43Å; L282-H286 PolarHBondContact O-N 3.36Å |
| 283 | L | 90.2 | Very high | 88.9 | Confident | 98 Ų | 98 | 114.9 Ų | 114.9 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.7 | -37.8 | 176.3 | -72.4 | 171.3 | 0 | 0 | 0 | 111.7 | F279 N280 D281 H285 | F279-L283 WeakPolarHBondContact O-CG 3.49Å; F279-L283 PolarHBondContact O-N 2.91Å; N280-L283 WeakPolarHBondContact O-CB 3.48Å; N280-L283 PolarHBondContact O-N 3.16Å; N280-L283 VanDerWaalsContact O-N 3.16Å; D281-L283 PolarHBondContact O-N 3.16Å; L283-H285 VanDerWaalsContact C-N 3.34Å |
| 284 | C | 89.9 | Confident | 88.5 | Confident | 82 Ų | 82 | 113.8 Ų | 113.8 | 55% | 0.554 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -74.3 | -20.3 | 178.9 | -67 | 0 | 0 | 0 | 0 | 114.3 | N280 D281 L282 | N280-C284 PolarHBondContact O-N 3.42Å; N280-C284 PolarHBondContact O-SG 2.96Å; N280-C284 VanDerWaalsContact O-SG 3.34Å; D281-C284 PolarHBondContact O-N 3.07Å; L282-C284 VanDerWaalsContact C-N 3.32Å |
| 285 | H | 88 | Confident | 88.1 | Confident | 146 Ų | 146 | 119.3 Ų | 119.3 | 68% | 0.676 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -110.7 | -18.3 | -174.1 | -69.1 | -51.3 | 0 | 0 | 0 | 114.9 | D281 L282 L283 | D281-H285 PolarHBondContact O-CD2 2.98Å; D281-H285 PolarHBondContact O-N 3.5Å; D281-H285 VanDerWaalsContact O-N 3.16Å; L282-H285 PolarHBondContact O-N 3.29Å; L283-H285 VanDerWaalsContact C-N 3.34Å |
| 286 | H | 78.8 | Confident | 87.7 | Confident | 143 Ų | 143 | 120.4 Ų | 120.4 | 66% | 0.662 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -125.6 | 1.8 | -173.8 | -65.3 | -65.1 | 0 | 0 | 0 | 114.8 | L282 | L282-H286 WeakPolarHBondContact O-CB 3.43Å; L282-H286 PolarHBondContact O-N 3.36Å |
| 287 | W | 64.1 | Low | 87.3 | Confident | 272 Ų | 272 | 123.7 Ų | 123.7 | 100% | 1.03 | 59% | 0.59 | S | S | * | * | trans | -137.3 | 0 | 173.8 | -65.9 | 88.6 | 0 | 0 | 0 | 109.7 |
Retrieved 287 of 287 residues in 1538.8 ms
(Link to these results)