| 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 | 48.7 | Very low | 40.1 | Very low | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | 0 | -36.6 | 0 | -155.6 | 158.9 | -83.1 | 0 | 0 | 118.8 | D187 F188 Y191 V270 V271 Y274 Q302 | M1-D187 PolarHBondContact N-OD2 2.89Å; M1-F188 HydrophobicContact CE-CD1 3.28Å; M1-F188 HydrophobicContact CE-CE1 3.36Å; M1-Y191 HydrophobicContact CE-CD1 3.73Å; M1-Y191 HydrophobicContact CE-CE1 4.09Å; M1-Y191 HydrophobicContact SD-CD1 3.72Å; M1-Y191 HydrophobicContact SD-CE1 3.45Å; M1-Y191 WeakPolarHBondContact SD-CE1 3.48Å; M1-V270 HydrophobicContact CG-CB 4.5Å; M1-V270 HydrophobicContact CG-CG1 4.18Å; M1-V270 HydrophobicContact CG-CG2 3.59Å; M1-V270 HydrophobicContact SD-CB 4.18Å; M1-V270 HydrophobicContact SD-CG1 3.37Å; M1-V270 WeakPolarHBondContact SD-CG1 3.27Å; M1-V270 HydrophobicContact SD-CG2 3.89Å; M1-V271 HydrophobicContact CE-CB 4.15Å; M1-V271 HydrophobicContact CE-CG2 3.41Å; M1-V271 VanDerWaalsContact CE-CG2 3.41Å; M1-V271 HydrophobicContact SD-CG2 4.08Å; M1-Y274 HydrophobicContact CG-CD2 4.11Å; M1-Y274 HydrophobicContact CG-CE2 4.2Å; M1-Y274 WeakPolarHBondContact O-CE2 3.4Å; M1-Y274 PolarHBondContact O-OH 2.88Å; M1-Q302 PolarHBondContact SD-NE2 3.47Å; M1-Q302 VanDerWaalsContact SD-NE2 3.45Å | |||
| 2 | I | 43.4 | Very low | 39.4 | Very low | 6 Ų | 6 | 76.3 Ų | 76.3 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | trans | -87.7 | 6.8 | 171 | -76.6 | -163.3 | 0 | 0 | 0 | 113.1 | F104 V299 M303 | I2-F104 HydrophobicContact CB-CD1 4.33Å; I2-F104 HydrophobicContact CB-CE1 3.62Å; I2-F104 HydrophobicContact CB-CZ 4.05Å; I2-F104 HydrophobicContact CD1-CE1 3.98Å; I2-F104 HydrophobicContact CD1-CE2 4.29Å; I2-F104 HydrophobicContact CD1-CZ 3.47Å; I2-F104 VanDerWaalsContact CD1-CZ 3.47Å; I2-F104 HydrophobicContact CG1-CE1 3.82Å; I2-F104 HydrophobicContact CG1-CZ 3.85Å; I2-F104 HydrophobicContact CG2-CE1 4.37Å; I2-V299 HydrophobicContact CD1-CG1 3.83Å; I2-V299 HydrophobicContact CG1-CG1 4.16Å; I2-M303 HydrophobicContact CD1-CE 3.52Å; I2-M303 HydrophobicContact CD1-SD 3.84Å; I2-M303 HydrophobicContact CG1-CE 4.46Å | ||
| 3 | L | 47.8 | Very low | 38.9 | Very low | 25 Ų | 25 | 76.8 Ų | 76.8 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | trans | -112.3 | 74.3 | -169.5 | -50.6 | 169.5 | 0 | 0 | 0 | 106.5 | I5 L101 T105 Y159 | L3-I5 HydrophobicContact CB-CG1 4.4Å; L3-I5 PolarHBondContact O-N 3.35Å; L3-L101 HydrophobicContact CB-CD2 4.46Å; L3-L101 HydrophobicContact CD1-CB 3.87Å; L3-L101 HydrophobicContact CD1-CD2 3.65Å; L3-L101 HydrophobicContact CD1-CG 3.41Å; L3-L101 VanDerWaalsContact CD1-CG 3.41Å; L3-L101 HydrophobicContact CD2-CD1 3.77Å; L3-L101 HydrophobicContact CD2-CD2 4.07Å; L3-L101 HydrophobicContact CD2-CG 3.45Å; L3-L101 VanDerWaalsContact CD2-CG 3.45Å; L3-L101 HydrophobicContact CG-CD2 4.23Å; L3-L101 HydrophobicContact CG-CG 3.94Å; L3-T105 WeakPolarHBondContact CD1-OG1 3.37Å; L3-Y159 HydrophobicContact CD1-CE1 4Å | ||
| 4 | S | 43.6 | Very low | 38.7 | Very low | 38 Ų | 38 | 77.6 Ų | 77.6 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | trans | -55.3 | 92.1 | 136.3 | -175.9 | 0 | 0 | 0 | 0 | 104.5 | D6 | S4-D6 PolarHBondContact OG-OD1 2.81Š| ||
| 5 | I | 47.3 | Very low | 39 | Very low | 24 Ų | 24 | 78.2 Ų | 78.2 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | trans | -64.2 | 115.8 | 145.5 | -72.4 | 177.2 | 0 | 0 | 0 | 101.5 | L3 G7 L101 Y159 V163 C170 P172 H180 | L3-I5 HydrophobicContact CB-CG1 4.4Å; L3-I5 PolarHBondContact O-N 3.35Å; I5-G7 WeakPolarHBondContact O-CA 3.4Å; I5-G7 PolarHBondContact O-N 3.43Å; I5-L101 HydrophobicContact CG1-CD2 4.4Å; I5-Y159 HydrophobicContact CD1-CE1 4.4Å; I5-V163 HydrophobicContact CD1-CG2 3.59Å; I5-V163 HydrophobicContact CG1-CG2 4.38Å; I5-C170 VanDerWaalsContact CA-O 3.3Å; I5-C170 WeakPolarHBondContact CA-O 3.09Å; I5-P172 HydrophobicContact CG2-CB 3.74Å; I5-P172 HydrophobicContact CG2-CG 3.35Å; I5-H180 WeakPolarHBondContact CD1-CE1 3.49Å; I5-H180 VanDerWaalsContact CD1-ND1 3.3Å; I5-H180 WeakPolarHBondContact CD1-ND1 3.48Å | ||
| 6 | D | 44.4 | Very low | 39 | Very low | 88 Ų | 88 | 79.3 Ų | 79.3 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | trans | -62.4 | 84.7 | -179.6 | -68.6 | -33.4 | 0 | 0 | 0 | 108 | S4 N8 S169 C170 | S4-D6 PolarHBondContact OG-OD1 2.81Å; D6-N8 VanDerWaalsContact C-N 3.34Å; D6-S169 WeakPolarHBondContact OD2-CB 3.49Å; D6-S169 PolarHBondContact OD2-OG 2.91Å; D6-C170 PolarHBondContact N-O 3.22Å | ||
| 7 | G | 37 | Very low | 39.5 | Very low | 32 Ų | 32 | 80.8 Ų | 80.8 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | trans | -86.5 | -12 | -166 | 0 | 0 | 0 | 0 | 0 | 112.2 | I5 | I5-G7 WeakPolarHBondContact O-CA 3.4Å; I5-G7 PolarHBondContact O-N 3.43Å | ||
| 8 | N | 35 | Very low | 40 | Very low | 95 Ų | 95 | 86.6 Ų | 86.6 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -137.5 | 141.7 | -169.2 | -91 | -17.8 | 0 | 0 | 0 | 115.6 | D6 T10 | D6-N8 VanDerWaalsContact C-N 3.34Å; N8-T10 VanDerWaalsContact C-N 3.3Å; N8-T10 PolarHBondContact O-N 2.91Å |
| 9 | F | 35.6 | Very low | 40.6 | Very low | 168 Ų | 168 | 86.4 Ų | 86.4 | 74% | 0.737 | 45% | 0.447 | S | S | * | . | trans | -75.8 | 62 | -174.6 | -72.6 | -104 | 0 | 0 | 0 | 112.4 | ||||
| 10 | T | 31 | Very low | 41.4 | Very low | 92 Ų | 92 | 83.5 Ų | 83.5 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | trans | -101.4 | 116.4 | 158.9 | 46.8 | 0 | 0 | 0 | 0 | 107.4 | N8 Y12 | N8-T10 VanDerWaalsContact C-N 3.3Å; N8-T10 PolarHBondContact O-N 2.91Å; T10-Y12 PolarHBondContact O-N 3.32Å | ||
| 11 | E | 27.8 | Very low | 42.4 | Very low | 152 Ų | 152 | 80.3 Ų | 80.3 | 71% | 0.71 | 42% | 0.42 | S | S | * | . | trans | -19.1 | 123.1 | 158.2 | -165.1 | 170.2 | -158.1 | 0 | 0 | 110.4 | H13 | E11-H13 PolarHBondContact O-CD2 2.95Å; E11-H13 PolarHBondContact O-N 3.07Å | ||
| 12 | Y | 31.2 | Very low | 43.5 | Very low | 178 Ų | 178 | 83 Ų | 83 | 70% | 0.698 | 44% | 0.437 | S | S | * | . | trans | -54.4 | 91.2 | 177.6 | -177.1 | -91 | 0 | 0 | 0 | 108.1 | T10 P14 | T10-Y12 PolarHBondContact O-N 3.32Å; Y12-P14 HydrophobicContact CE1-CB 4.47Å; Y12-P14 VanDerWaalsContact O-CD 3.23Å; Y12-P14 WeakPolarHBondContact O-CD 3.06Å | ||
| 13 | H | 33 | Very low | 45.5 | Very low | 83 Ų | 83 | 85.9 Ų | 85.9 | 38% | 0.384 | 45% | 0.452 | S | S | . | . | trans | -73 | 114.4 | 166.7 | -70.4 | -61.7 | 0 | 0 | 0 | 103.6 | E11 K15 | E11-H13 PolarHBondContact O-CD2 2.95Å; E11-H13 PolarHBondContact O-N 3.07Å; H13-K15 PolarHBondContact O-N 2.84Å | ||
| 14 | P | 36 | Very low | 47.3 | Very low | 87 Ų | 87 | 85.2 Ų | 85.2 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | trans | -53.8 | 114.7 | 167.2 | 22.7 | -29.7 | 0 | 0 | 0 | 104.8 | Y12 V16 | Y12-P14 HydrophobicContact CE1-CB 4.47Å; Y12-P14 VanDerWaalsContact O-CD 3.23Å; Y12-P14 WeakPolarHBondContact O-CD 3.06Å; P14-V16 WeakPolarHBondContact O-CG2 3.16Å; P14-V16 PolarHBondContact O-N 3.42Å | ||
| 15 | K | 44 | Very low | 49.3 | Very low | 87 Ų | 87 | 85 Ų | 85 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | trans | -60.5 | 87.6 | 176.5 | -68.8 | 169.7 | 174.8 | -171.2 | 0 | 106.1 | H13 H17 E87 D292 | H13-K15 PolarHBondContact O-N 2.84Å; K15-H17 PolarHBondContact O-N 3.35Å; K15-E87 WeakPolarHBondContact CD-OE1 3.29Å; K15-E87 WeakPolarHBondContact CD-OE2 3.26Å; K15-E87 IonicContact NZ-OE1 2.99Å; K15-E87 PolarHBondContact NZ-OE1 3.5Å; K15-E87 IonicContact NZ-OE2 2.93Å; K15-E87 PolarHBondContact NZ-OE2 3.03Å; K15-D292 WeakPolarHBondContact CD-OD2 3.43Å; K15-D292 VanDerWaalsContact CE-OD1 3.29Å; K15-D292 WeakPolarHBondContact CE-OD1 3.24Å; K15-D292 IonicContact NZ-OD1 2.76Å; K15-D292 PolarHBondContact NZ-OD1 2.92Å | ||
| 16 | V | 38.7 | Very low | 51.4 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 58% | 0.582 | 46% | 0.462 | S | S | * | . | trans | -67.4 | 102.3 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 104 | P14 | P14-V16 WeakPolarHBondContact O-CG2 3.16Å; P14-V16 PolarHBondContact O-N 3.42Å | ||
| 17 | H | 46.4 | Very low | 53.8 | Low | 104 Ų | 104 | 84 Ų | 84 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | trans | 178.4 | 109.2 | 137.6 | -87.3 | -57 | 0 | 0 | 0 | 109.6 | K15 S19 L20 | K15-H17 PolarHBondContact O-N 3.35Å; H17-S19 PolarHBondContact O-N 2.8Å; H17-L20 HydrophobicContact CB-CD1 3.52Å; H17-L20 PolarHBondContact O-N 3.26Å; H17-L20 VanDerWaalsContact O-N 3.08Å | ||
| 18 | H | 49.2 | Very low | 56.5 | Low | 186 Ų | 186 | 82.6 Ų | 82.6 | 86% | 0.861 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -49.1 | -22.9 | 174.7 | -111.9 | -86.8 | 0 | 0 | 0 | 114.6 | T22 | H18-T22 PolarHBondContact O-OG1 3.33Å |
| 19 | S | 50.6 | Low | 59.4 | Low | 83 Ų | 83 | 80.5 Ų | 80.5 | 58% | 0.58 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -76.6 | -23.5 | -179.5 | 53 | 0 | 0 | 0 | 0 | 113.8 | H17 T22 | H17-S19 PolarHBondContact O-N 2.8Å; S19-T22 VanDerWaalsContact O-CB 3.28Å; S19-T22 WeakPolarHBondContact O-CB 3.46Å; S19-T22 PolarHBondContact O-OG1 3.37Å |
| 20 | L | 57.2 | Low | 62.2 | Low | 27 Ų | 27 | 76.7 Ų | 76.7 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -87.6 | -33.1 | -175.6 | -77.2 | 84.1 | 0 | 0 | 0 | 113.1 | H17 T22 L23 T293 | H17-L20 HydrophobicContact CB-CD1 3.52Å; H17-L20 PolarHBondContact O-N 3.26Å; H17-L20 VanDerWaalsContact O-N 3.08Å; L20-T22 PolarHBondContact O-N 3.18Å; L20-L23 PolarHBondContact O-N 3.12Å; L20-L23 VanDerWaalsContact O-N 3.11Å; L20-T293 WeakPolarHBondContact CD2-OG1 3.43Å |
| 21 | G | 62.7 | Low | 65.3 | Low | 18 Ų | 18 | 72.7 Ų | 72.7 | 19% | 0.186 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.4 | -27.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L23 S25 | G21-L23 VanDerWaalsContact C-N 3.32Å; G21-L23 PolarHBondContact O-N 3.49Å; G21-S25 VanDerWaalsContact O-CB 3.31Å; G21-S25 WeakPolarHBondContact O-CB 3.4Å; G21-S25 PolarHBondContact O-N 2.99Å; G21-S25 PolarHBondContact O-OG 2.83Å |
| 22 | T | 71.4 | Confident | 68.6 | Low | 74 Ų | 74 | 66.3 Ų | 66.3 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 175.8 | -45.9 | 0 | 0 | 0 | 0 | 112.8 | H18 S19 L20 S25 V26 | H18-T22 PolarHBondContact O-OG1 3.33Å; S19-T22 VanDerWaalsContact O-CB 3.28Å; S19-T22 WeakPolarHBondContact O-CB 3.46Å; S19-T22 PolarHBondContact O-OG1 3.37Å; L20-T22 PolarHBondContact O-N 3.18Å; T22-S25 PolarHBondContact O-N 3.29Å; T22-V26 HydrophobicContact CG2-CG2 4.25Å; T22-V26 WeakPolarHBondContact O-CG2 3.25Å; T22-V26 PolarHBondContact O-N 3.35Å |
| 23 | L | 85.2 | Confident | 71.7 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.5 | -47 | -174.8 | -170 | 68.5 | 0 | 0 | 0 | 111.2 | L20 G21 S25 V26 A27 P28 R296 V297 I300 | L20-L23 PolarHBondContact O-N 3.12Å; L20-L23 VanDerWaalsContact O-N 3.11Å; G21-L23 VanDerWaalsContact C-N 3.32Å; G21-L23 PolarHBondContact O-N 3.49Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-V26 PolarHBondContact O-N 3.13Å; L23-A27 WeakPolarHBondContact O-CB 3.28Å; L23-A27 PolarHBondContact O-N 3.28Å; L23-P28 WeakPolarHBondContact O-CD 3.25Å; L23-R296 HydrophobicContact CD2-CB 3.96Å; L23-V297 HydrophobicContact CD2-CG2 3.91Å; L23-I300 HydrophobicContact CD1-CD1 4.05Å; L23-I300 HydrophobicContact CD2-CD1 3.53Å; L23-I300 HydrophobicContact CG-CD1 3.38Å |
| 24 | Y | 86.8 | Confident | 74.7 | Confident | 11 Ų | 11 | 63 Ų | 63 | 4% | 0.043 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72 | -22.3 | 172 | -81.7 | -5 | 0 | 0 | 0 | 113.5 | V26 P28 Q79 W80 I82 R296 I300 | Y24-V26 VanDerWaalsContact C-N 3.33Å; Y24-P28 HydrophobicContact CD1-CG 4.4Å; Y24-P28 WeakPolarHBondContact O-CD 3.4Å; Y24-P28 VanDerWaalsContact O-CG 3.31Å; Y24-P28 WeakPolarHBondContact O-CG 3.42Å; Y24-Q79 HydrophobicContact CD1-CB 4.31Å; Y24-Q79 HydrophobicContact CE1-CB 4.4Å; Y24-Q79 HydrophobicContact CE1-CG 4.43Å; Y24-Q79 HydrophobicContact CG-CB 4.36Å; Y24-W80 WeakPolarHBondContact O-CA 3.37Å; Y24-I82 HydrophobicContact CD2-CG2 4.36Å; Y24-R296 HydrophobicContact CD1-CB 4.2Å; Y24-R296 HydrophobicContact CD1-CG 4.24Å; Y24-R296 HydrophobicContact CD2-CG 4.13Å; Y24-R296 HydrophobicContact CE1-CB 3.68Å; Y24-R296 HydrophobicContact CE1-CG 3.78Å; Y24-R296 HydrophobicContact CE2-CB 4.46Å; Y24-R296 HydrophobicContact CE2-CG 3.64Å; Y24-R296 HydrophobicContact CG-CG 4.42Å; Y24-R296 VanDerWaalsContact CZ-CG 3.46Å; Y24-I300 HydrophobicContact CD1-CD1 4.01Å; Y24-I300 HydrophobicContact CD1-CG1 4.33Å; Y24-I300 HydrophobicContact CE1-CD1 4.13Å; Y24-I300 HydrophobicContact CE1-CG1 4.13Å |
| 25 | S | 85.9 | Confident | 77.6 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.3 | -26.1 | 173.3 | -62.5 | 0 | 0 | 0 | 0 | 113.2 | G21 T22 L23 W80 G83 | G21-S25 VanDerWaalsContact O-CB 3.31Å; G21-S25 WeakPolarHBondContact O-CB 3.4Å; G21-S25 PolarHBondContact O-N 2.99Å; G21-S25 PolarHBondContact O-OG 2.83Å; T22-S25 PolarHBondContact O-N 3.29Å; L23-S25 VanDerWaalsContact C-N 3.31Å; S25-W80 PolarHBondContact O-NE1 3.02Å; S25-G83 PolarHBondContact OG-O 3.46Å |
| 26 | V | 91 | Very high | 80.2 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -114.1 | -49 | -171.9 | 179.4 | 0 | 0 | 0 | 0 | 113.8 | T22 L23 Y24 I29 I30 | T22-V26 HydrophobicContact CG2-CG2 4.25Å; T22-V26 WeakPolarHBondContact O-CG2 3.25Å; T22-V26 PolarHBondContact O-N 3.35Å; L23-V26 PolarHBondContact O-N 3.13Å; Y24-V26 VanDerWaalsContact C-N 3.33Å; V26-I29 WeakPolarHBondContact O-CG2 3.26Å; V26-I29 PolarHBondContact O-N 3.28Å; V26-I30 HydrophobicContact CG1-CD1 3.77Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 3.28Å |
| 27 | A | 93.9 | Very high | 82.9 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L23 I29 I30 I31 I300 | L23-A27 WeakPolarHBondContact O-CB 3.28Å; L23-A27 PolarHBondContact O-N 3.28Å; A27-I29 VanDerWaalsContact C-N 3.32Å; A27-I29 PolarHBondContact O-N 2.78Å; A27-I30 PolarHBondContact O-N 3.07Å; A27-I31 WeakPolarHBondContact O-CG1 3.39Å; A27-I31 PolarHBondContact O-N 2.81Å; A27-I300 HydrophobicContact CB-CD1 3.7Å; A27-I300 HydrophobicContact CB-CG1 4.16Å; A27-I300 HydrophobicContact CB-CG2 4.11Å |
| 28 | P | 94.4 | Very high | 85.3 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -35.4 | 179.7 | -25 | 36.3 | 0 | 0 | 0 | 113.7 | L23 Y24 I31 L32 C76 Q79 W80 | L23-P28 WeakPolarHBondContact O-CD 3.25Å; Y24-P28 HydrophobicContact CD1-CG 4.4Å; Y24-P28 WeakPolarHBondContact O-CD 3.4Å; Y24-P28 VanDerWaalsContact O-CG 3.31Å; Y24-P28 WeakPolarHBondContact O-CG 3.42Å; P28-I31 PolarHBondContact O-N 3.15Å; P28-L32 VanDerWaalsContact O-CG 3.31Å; P28-L32 WeakPolarHBondContact O-CG 3.42Å; P28-L32 PolarHBondContact O-N 2.88Å; P28-C76 HydrophobicContact CB-CB 3.98Å; P28-C76 WeakPolarHBondContact CB-O 3.44Å; P28-Q79 HydrophobicContact CB-CB 4.29Å; P28-Q79 HydrophobicContact CG-CB 3.81Å; P28-W80 HydrophobicContact CB-CB 4.06Å |
| 29 | I | 94.7 | Very high | 87.6 | Confident | 51 Ų | 51 | 42.4 Ų | 42.4 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.6 | -36.1 | 178.9 | -170.8 | 63.8 | 0 | 0 | 0 | 112 | V26 A27 L32 I33 W80 | V26-I29 WeakPolarHBondContact O-CG2 3.26Å; V26-I29 PolarHBondContact O-N 3.28Å; A27-I29 VanDerWaalsContact C-N 3.32Å; A27-I29 PolarHBondContact O-N 2.78Å; I29-L32 HydrophobicContact CD1-CD1 4.2Å; I29-L32 PolarHBondContact O-N 2.82Å; I29-I33 HydrophobicContact CD1-CD1 4.46Å; I29-I33 HydrophobicContact CG1-CD1 4.09Å; I29-I33 WeakPolarHBondContact O-CG1 3.31Å; I29-I33 PolarHBondContact O-N 3.43Å; I29-W80 HydrophobicContact CB-CG 4.5Å |
| 30 | I | 95.3 | Very high | 89.8 | Confident | 87 Ų | 87 | 41.8 Ų | 41.8 | 45% | 0.446 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 172.8 | -65.1 | 170 | 0 | 0 | 0 | 110 | V26 A27 L32 I33 I34 | V26-I30 HydrophobicContact CG1-CD1 3.77Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 3.28Å; A27-I30 PolarHBondContact O-N 3.07Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 2.65Å; I30-I33 PolarHBondContact O-N 3.42Å; I30-I34 HydrophobicContact CG2-CD1 3.88Å; I30-I34 WeakPolarHBondContact O-CG1 3.49Å; I30-I34 PolarHBondContact O-N 3.06Å; I30-I34 VanDerWaalsContact O-N 3.15Å |
| 31 | I | 96.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 177.6 | -62.8 | 166.5 | 0 | 0 | 0 | 111 | A27 P28 G35 I72 I300 M303 I304 M307 | A27-I31 WeakPolarHBondContact O-CG1 3.39Å; A27-I31 PolarHBondContact O-N 2.81Å; P28-I31 PolarHBondContact O-N 3.15Å; I31-G35 VanDerWaalsContact O-CA 3.26Å; I31-G35 WeakPolarHBondContact O-CA 3.45Å; I31-G35 PolarHBondContact O-N 3.38Å; I31-I72 HydrophobicContact CG2-CG2 4.25Å; I31-I300 HydrophobicContact CD1-CG2 4.24Å; I31-M303 HydrophobicContact CD1-CB 3.99Å; I31-I304 HydrophobicContact CD1-CG1 3.78Å; I31-I304 HydrophobicContact CG1-CG1 4.23Å; I31-M307 HydrophobicContact CG1-CE 4.47Å; I31-M307 HydrophobicContact CG2-CB 4.36Å; I31-M307 HydrophobicContact CG2-SD 4.26Å |
| 32 | L | 96.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -50.5 | 175.7 | -78.7 | 163.8 | 0 | 0 | 0 | 112.1 | P28 I29 I30 I34 I36 I72 C76 | P28-L32 VanDerWaalsContact O-CG 3.31Å; P28-L32 WeakPolarHBondContact O-CG 3.42Å; P28-L32 PolarHBondContact O-N 2.88Å; I29-L32 HydrophobicContact CD1-CD1 4.2Å; I29-L32 PolarHBondContact O-N 2.82Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 2.65Å; L32-I34 VanDerWaalsContact C-N 3.3Å; L32-I34 PolarHBondContact O-N 3.09Å; L32-I36 HydrophobicContact CD2-CD1 3.6Å; L32-I36 HydrophobicContact CD2-CG1 4.36Å; L32-I36 WeakPolarHBondContact O-CB 3.48Å; L32-I36 PolarHBondContact O-N 3.35Å; L32-I36 VanDerWaalsContact O-N 3.15Å; L32-I72 HydrophobicContact CD2-CG2 3.98Å; L32-C76 HydrophobicContact CD1-CB 4.03Å; L32-C76 HydrophobicContact CD2-CB 3.9Å; L32-C76 HydrophobicContact CG-CB 3.59Å |
| 33 | I | 96.4 | Very high | 94.6 | Very high | 117 Ų | 117 | 40.7 Ų | 40.7 | 60% | 0.6 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.4 | -34.9 | -175.4 | -70 | 169.2 | 0 | 0 | 0 | 111.8 | I29 I30 P37 | I29-I33 HydrophobicContact CD1-CD1 4.46Å; I29-I33 HydrophobicContact CG1-CD1 4.09Å; I29-I33 WeakPolarHBondContact O-CG1 3.31Å; I29-I33 PolarHBondContact O-N 3.43Å; I30-I33 PolarHBondContact O-N 3.42Å; I33-P37 WeakPolarHBondContact O-CD 3.44Å; I33-P37 VanDerWaalsContact O-CG 3.24Å; I33-P37 WeakPolarHBondContact O-CG 3.02Å |
| 34 | I | 96.5 | Very high | 95.1 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -89.9 | -46.8 | -179.2 | -61.9 | 173.4 | 0 | 0 | 0 | 110.9 | I30 L32 G38 M307 F311 | I30-I34 HydrophobicContact CG2-CD1 3.88Å; I30-I34 WeakPolarHBondContact O-CG1 3.49Å; I30-I34 PolarHBondContact O-N 3.06Å; I30-I34 VanDerWaalsContact O-N 3.15Å; L32-I34 VanDerWaalsContact C-N 3.3Å; L32-I34 PolarHBondContact O-N 3.09Å; I34-G38 PolarHBondContact O-N 3.17Å; I34-G38 VanDerWaalsContact O-N 3.1Å; I34-M307 HydrophobicContact CB-SD 3.57Å; I34-M307 VanDerWaalsContact CB-SD 3.57Å; I34-M307 HydrophobicContact CG2-CE 4.48Å; I34-M307 HydrophobicContact CG2-CG 4.24Å; I34-M307 HydrophobicContact CG2-SD 3.45Å; I34-M307 WeakPolarHBondContact CG2-SD 3.04Å; I34-F311 HydrophobicContact CG2-CE2 4.05Å; I34-F311 HydrophobicContact CG2-CZ 3.69Å |
| 35 | G | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.2 | -40 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I31 N39 | I31-G35 VanDerWaalsContact O-CA 3.26Å; I31-G35 WeakPolarHBondContact O-CA 3.45Å; I31-G35 PolarHBondContact O-N 3.38Å; G35-N39 WeakPolarHBondContact O-CB 3.34Å; G35-N39 PolarHBondContact O-N 3.29Å |
| 36 | I | 97.3 | Very high | 96 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 24% | 0.236 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -55.6 | 178.6 | -67.7 | 176.4 | 0 | 0 | 0 | 110.8 | L32 G38 N39 L40 T69 I72 A73 | L32-I36 HydrophobicContact CD2-CD1 3.6Å; L32-I36 HydrophobicContact CD2-CG1 4.36Å; L32-I36 WeakPolarHBondContact O-CB 3.48Å; L32-I36 PolarHBondContact O-N 3.35Å; L32-I36 VanDerWaalsContact O-N 3.15Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-G38 PolarHBondContact O-N 3.05Å; I36-N39 PolarHBondContact O-N 3.48Å; I36-L40 HydrophobicContact CG2-CD1 3.67Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 WeakPolarHBondContact O-CB 3.34Å; I36-L40 VanDerWaalsContact O-CG 3.26Å; I36-L40 WeakPolarHBondContact O-CG 3.24Å; I36-L40 PolarHBondContact O-N 3.25Å; I36-T69 HydrophobicContact CG2-CG2 4.33Å; I36-I72 HydrophobicContact CG1-CG2 3.9Å; I36-A73 HydrophobicContact CD1-CB 4.1Å |
| 37 | P | 96.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 39 Ų | 39 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 178.9 | -24.7 | 37 | 0 | 0 | 0 | 113 | I33 L40 L41 | I33-P37 WeakPolarHBondContact O-CD 3.44Å; I33-P37 VanDerWaalsContact O-CG 3.24Å; I33-P37 WeakPolarHBondContact O-CG 3.02Å; P37-L40 PolarHBondContact O-N 3.22Å; P37-L41 VanDerWaalsContact O-CB 3.23Å; P37-L41 WeakPolarHBondContact O-CB 3.04Å; P37-L41 PolarHBondContact O-N 2.82Å |
| 38 | G | 96.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -51.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I34 I36 L41 S42 F310 | I34-G38 PolarHBondContact O-N 3.17Å; I34-G38 VanDerWaalsContact O-N 3.1Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-G38 PolarHBondContact O-N 3.05Å; G38-L41 PolarHBondContact O-N 2.93Å; G38-S42 WeakPolarHBondContact O-CB 3.45Å; G38-S42 PolarHBondContact O-N 3.38Å; G38-S42 PolarHBondContact O-OG 3.33Å; G38-F310 VanDerWaalsContact O-CD2 3.31Å; G38-F310 WeakPolarHBondContact O-CD2 3.22Å |
| 39 | N | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.7 | -38.6 | 179.6 | -77 | -23 | 0 | 0 | 0 | 112.7 | G35 I36 S42 M43 C65 D68 T69 I72 H306 | G35-N39 WeakPolarHBondContact O-CB 3.34Å; G35-N39 PolarHBondContact O-N 3.29Å; I36-N39 PolarHBondContact O-N 3.48Å; N39-S42 PolarHBondContact O-N 3.45Å; N39-M43 VanDerWaalsContact O-CB 3.31Å; N39-M43 WeakPolarHBondContact O-CB 3.47Å; N39-M43 PolarHBondContact O-N 3.5Å; N39-C65 HydrophobicContact CB-CB 4.5Å; N39-C65 WeakPolarHBondContact O-CB 3.27Å; N39-D68 VanDerWaalsContact ND2-CB 3.33Å; N39-D68 WeakPolarHBondContact ND2-CB 3.36Å; N39-T69 WeakPolarHBondContact CB-OG1 3.35Å; N39-I72 WeakPolarHBondContact ND2-CD1 3.12Å; N39-H306 PolarHBondContact ND2-O 3.2Å |
| 40 | L | 97.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 49 Ų | 49 | 37% | 0.372 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.4 | -72.7 | 177.4 | 0 | 0 | 0 | 111.9 | I36 P37 M43 V44 T69 | I36-L40 HydrophobicContact CG2-CD1 3.67Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 WeakPolarHBondContact O-CB 3.34Å; I36-L40 VanDerWaalsContact O-CG 3.26Å; I36-L40 WeakPolarHBondContact O-CG 3.24Å; I36-L40 PolarHBondContact O-N 3.25Å; P37-L40 PolarHBondContact O-N 3.22Å; L40-M43 HydrophobicContact CD2-CE 3.66Å; L40-M43 WeakPolarHBondContact O-CB 3.31Å; L40-M43 PolarHBondContact O-N 3.45Å; L40-V44 WeakPolarHBondContact O-CG2 3.45Å; L40-V44 PolarHBondContact O-N 3.41Å; L40-T69 HydrophobicContact CD2-CG2 3.94Å; L40-T69 HydrophobicContact CG-CG2 4.11Å |
| 41 | L | 96.4 | Very high | 95.9 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.5 | -178.6 | 55.4 | 0 | 0 | 0 | 111.1 | P37 G38 V44 I45 F310 L324 L327 | P37-L41 VanDerWaalsContact O-CB 3.23Å; P37-L41 WeakPolarHBondContact O-CB 3.04Å; P37-L41 PolarHBondContact O-N 2.82Å; G38-L41 PolarHBondContact O-N 2.93Å; L41-V44 PolarHBondContact O-N 3.37Å; L41-I45 HydrophobicContact CD1-CD1 4.16Å; L41-I45 HydrophobicContact CD1-CG1 4.46Å; L41-I45 HydrophobicContact CG-CD1 4.09Å; L41-I45 WeakPolarHBondContact O-CG1 3.38Å; L41-I45 PolarHBondContact O-N 3.47Å; L41-F310 HydrophobicContact CD2-CE2 4.17Å; L41-L324 HydrophobicContact CD1-CD1 4.42Å; L41-L324 HydrophobicContact CD2-CD1 3.45Å; L41-L324 VanDerWaalsContact CD2-CD1 3.45Å; L41-L324 HydrophobicContact CG-CD1 4.07Å; L41-L327 HydrophobicContact CD1-CD1 3.82Å |
| 42 | S | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 174.6 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | G38 N39 V44 I45 W46 C65 F310 F320 | G38-S42 WeakPolarHBondContact O-CB 3.45Å; G38-S42 PolarHBondContact O-N 3.38Å; G38-S42 PolarHBondContact O-OG 3.33Å; N39-S42 PolarHBondContact O-N 3.45Å; S42-V44 PolarHBondContact O-N 2.93Å; S42-I45 PolarHBondContact O-N 3.16Å; S42-W46 WeakPolarHBondContact O-CB 3.36Å; S42-W46 PolarHBondContact O-N 3.46Å; S42-C65 VanDerWaalsContact CB-SG 3.56Å; S42-F310 WeakPolarHBondContact OG-CD2 3.4Å; S42-F320 WeakPolarHBondContact OG-CE2 3.47Å; S42-F320 VanDerWaalsContact OG-CZ 3.29Å; S42-F320 WeakPolarHBondContact OG-CZ 3.38Å |
| 43 | M | 97.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 18% | 0.177 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.8 | -50.4 | 176.1 | 178.8 | -174.1 | 68.7 | 0 | 0 | 110.8 | N39 L40 I45 W46 L47 C65 M66 | N39-M43 VanDerWaalsContact O-CB 3.31Å; N39-M43 WeakPolarHBondContact O-CB 3.47Å; N39-M43 PolarHBondContact O-N 3.5Å; L40-M43 HydrophobicContact CD2-CE 3.66Å; L40-M43 WeakPolarHBondContact O-CB 3.31Å; L40-M43 PolarHBondContact O-N 3.45Å; M43-I45 PolarHBondContact O-N 3.33Å; M43-W46 PolarHBondContact O-N 3.02Å; M43-L47 HydrophobicContact CG-CD1 3.65Å; M43-L47 HydrophobicContact CG-CG 4.21Å; M43-L47 WeakPolarHBondContact O-CB 3.49Å; M43-L47 VanDerWaalsContact O-CG 3.27Å; M43-L47 WeakPolarHBondContact O-CG 3.38Å; M43-L47 PolarHBondContact O-N 2.99Å; M43-L47 HydrophobicContact SD-CD1 4.42Å; M43-C65 HydrophobicContact CB-CB 3.77Å; M43-M66 HydrophobicContact SD-CB 3.91Å; M43-M66 HydrophobicContact SD-CG 4.32Å |
| 44 | V | 96.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 179.8 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | L40 L41 S42 R48 | L40-V44 WeakPolarHBondContact O-CG2 3.45Å; L40-V44 PolarHBondContact O-N 3.41Å; L41-V44 PolarHBondContact O-N 3.37Å; S42-V44 PolarHBondContact O-N 2.93Å; V44-R48 WeakPolarHBondContact O-CB 3.16Å; V44-R48 VanDerWaalsContact O-CG 3.23Å; V44-R48 WeakPolarHBondContact O-CG 3.43Å; V44-R48 PolarHBondContact O-N 2.04Å; V44-R48 VanDerWaalsContact O-N 3.08Å |
| 45 | I | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 178.2 | -68.4 | 165.9 | 0 | 0 | 0 | 110.3 | L41 S42 M43 R48 R49 F320 D323 L324 L327 | L41-I45 HydrophobicContact CD1-CD1 4.16Å; L41-I45 HydrophobicContact CD1-CG1 4.46Å; L41-I45 HydrophobicContact CG-CD1 4.09Å; L41-I45 WeakPolarHBondContact O-CG1 3.38Å; L41-I45 PolarHBondContact O-N 3.47Å; S42-I45 PolarHBondContact O-N 3.16Å; M43-I45 PolarHBondContact O-N 3.33Å; I45-R48 PolarHBondContact O-N 3.45Å; I45-R49 PolarHBondContact O-N 3.43Å; I45-F320 HydrophobicContact CB-CD2 4.41Å; I45-F320 HydrophobicContact CB-CE2 4.15Å; I45-F320 HydrophobicContact CD1-CD2 4.2Å; I45-F320 HydrophobicContact CD1-CE2 3.59Å; I45-F320 HydrophobicContact CD1-CZ 3.76Å; I45-F320 HydrophobicContact CG1-CE2 4.48Å; I45-F320 HydrophobicContact CG2-CD2 3.82Å; I45-F320 HydrophobicContact CG2-CE2 4.07Å; I45-D323 HydrophobicContact CG2-CB 3.85Å; I45-L324 HydrophobicContact CD1-CB 4.13Å; I45-L324 HydrophobicContact CD1-CD1 4.2Å; I45-L327 HydrophobicContact CD1-CD1 3.95Å; I45-L327 HydrophobicContact CG1-CD1 3.44Å; I45-L327 VanDerWaalsContact CG1-CD1 3.44Å |
| 46 | W | 95.8 | Very high | 94.3 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.3 | -40.7 | -176 | -73.8 | 117.1 | 0 | 0 | 0 | 112.9 | S42 M43 R48 R49 S58 I61 Y313 F320 | S42-W46 WeakPolarHBondContact O-CB 3.36Å; S42-W46 PolarHBondContact O-N 3.46Å; M43-W46 PolarHBondContact O-N 3.02Å; W46-R48 PolarHBondContact O-N 2.77Å; W46-R49 WeakPolarHBondContact O-CB 3.34Å; W46-R49 PolarHBondContact O-N 2.91Å; W46-R49 VanDerWaalsContact O-N 3.08Å; W46-S58 WeakPolarHBondContact O-CB 3.3Å; W46-I61 HydrophobicContact CB-CG2 4.17Å; W46-I61 HydrophobicContact CD2-CB 4.27Å; W46-I61 HydrophobicContact CD2-CD1 4.29Å; W46-I61 HydrophobicContact CD2-CG2 3.82Å; W46-I61 HydrophobicContact CE3-CD1 4.43Å; W46-I61 HydrophobicContact CG-CB 4.14Å; W46-I61 HydrophobicContact CG-CG2 3.49Å; W46-I61 VanDerWaalsContact CG-CG2 3.49Å; W46-I61 HydrophobicContact CH2-CD1 4.07Å; W46-I61 HydrophobicContact CZ2-CD1 3.92Å; W46-I61 HydrophobicContact CZ3-CD1 4.33Å; W46-I61 VanDerWaalsContact NE1-CG2 3.32Å; W46-Y313 AromaticContact CZ2-CD1 3.92Å; W46-Y313 HydrophobicContact CZ2-CD1 3.92Å; W46-Y313 HydrophobicContact CZ2-CE1 4.23Å; W46-Y313 HydrophobicContact CZ2-CG 4.46Å; W46-Y313 AromaticContact NE1-CD1 3.85Å; W46-Y313 AromaticContact NE1-CD2 3.79Å; W46-Y313 AromaticContact NE1-CE1 3.87Å; W46-Y313 AromaticContact NE1-CE2 3.87Å; W46-Y313 AromaticContact NE1-CG 3.82Å; W46-Y313 AromaticContact NE1-CZ 3.94Å; W46-F320 AromaticContact CE2-CD2 4Å; W46-F320 HydrophobicContact CZ2-CB 4.41Å; W46-F320 HydrophobicContact CZ2-CD2 4.27Å; W46-F320 AromaticContact NE1-CD2 3.64Å; W46-F320 AromaticContact NE1-CE2 3.91Å |
| 47 | L | 95.6 | Very high | 94.1 | Very high | 69 Ų | 69 | 47.4 Ų | 47.4 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.4 | -34.9 | 177.2 | -67 | -180 | 0 | 0 | 0 | 112.4 | M43 R49 L50 | M43-L47 HydrophobicContact CG-CD1 3.65Å; M43-L47 HydrophobicContact CG-CG 4.21Å; M43-L47 WeakPolarHBondContact O-CB 3.49Å; M43-L47 VanDerWaalsContact O-CG 3.27Å; M43-L47 WeakPolarHBondContact O-CG 3.38Å; M43-L47 PolarHBondContact O-N 2.99Å; M43-L47 HydrophobicContact SD-CD1 4.42Å; L47-R49 PolarHBondContact O-N 2.91Å; L47-L50 WeakPolarHBondContact O-CB 3.44Å; L47-L50 PolarHBondContact O-N 3.24Å; L47-L50 VanDerWaalsContact O-N 3.07Å |
| 48 | R | 95.3 | Very high | 94 | Very high | 168 Ų | 168 | 43.8 Ų | 43.8 | 63% | 0.634 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.6 | -24 | 172.1 | -75.8 | 177 | -175.8 | -164.7 | 5.6 | 113 | V44 I45 W46 L50 | V44-R48 WeakPolarHBondContact O-CB 3.16Å; V44-R48 VanDerWaalsContact O-CG 3.23Å; V44-R48 WeakPolarHBondContact O-CG 3.43Å; V44-R48 PolarHBondContact O-N 2.04Å; V44-R48 VanDerWaalsContact O-N 3.08Å; I45-R48 PolarHBondContact O-N 3.45Å; W46-R48 PolarHBondContact O-N 2.77Å; R48-L50 VanDerWaalsContact C-N 3.34Å |
| 49 | R | 93.1 | Very high | 94 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 21% | 0.208 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.6 | 176.4 | -75.2 | -166.9 | 163 | -78.2 | -13.4 | 114.2 | I45 W46 L47 S51 T52 T53 S58 D323 | I45-R49 PolarHBondContact O-N 3.43Å; W46-R49 WeakPolarHBondContact O-CB 3.34Å; W46-R49 PolarHBondContact O-N 2.91Å; W46-R49 VanDerWaalsContact O-N 3.08Å; L47-R49 PolarHBondContact O-N 2.91Å; R49-S51 PolarHBondContact O-N 3.31Å; R49-S51 VanDerWaalsContact O-N 3.14Å; R49-T52 PolarHBondContact O-N 3.3Å; R49-T52 PolarHBondContact O-OG1 2.84Å; R49-T53 WeakPolarHBondContact O-CB 3.4Å; R49-T53 PolarHBondContact O-N 2.99Å; R49-T53 PolarHBondContact O-OG1 2.87Å; R49-S58 WeakPolarHBondContact CB-OG 3.42Å; R49-D323 IonicContact CZ-OD1 2.8Å; R49-D323 IonicContact CZ-OD2 3.48Å; R49-D323 IonicContact NE-OD2 3.22Å; R49-D323 PolarHBondContact NE-OD2 3.39Å; R49-D323 IonicContact NH2-OD1 2.64Å; R49-D323 PolarHBondContact NH2-OD1 3.04Å; R49-D323 IonicContact NH2-OD2 3.08Å; R49-D323 PolarHBondContact NH2-OD2 3.1Å |
| 50 | L | 93.2 | Very high | 94 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -40.9 | -174.8 | -176.5 | 58.9 | 0 | 0 | 0 | 113.2 | L47 R48 L59 L138 | L47-L50 WeakPolarHBondContact O-CB 3.44Å; L47-L50 PolarHBondContact O-N 3.24Å; L47-L50 VanDerWaalsContact O-N 3.07Å; R48-L50 VanDerWaalsContact C-N 3.34Å; L50-L59 HydrophobicContact CD1-CB 3.78Å; L50-L138 HydrophobicContact CD1-CD1 3.69Å; L50-L138 HydrophobicContact CD1-CD2 3.95Å; L50-L138 HydrophobicContact CD1-CG 4.5Å; L50-L138 HydrophobicContact CG-CD2 4.36Å |
| 51 | S | 90.1 | Very high | 93.9 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 79% | 0.79 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -18.8 | 179.9 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | R49 | R49-S51 PolarHBondContact O-N 3.31Å; R49-S51 VanDerWaalsContact O-N 3.14Å |
| 52 | T | 89.8 | Confident | 93.9 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 57% | 0.571 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -24.4 | -174.7 | 60.6 | 0 | 0 | 0 | 0 | 113 | R49 | R49-T52 PolarHBondContact O-N 3.3Å; R49-T52 PolarHBondContact O-OG1 2.84Å |
| 53 | T | 88.9 | Confident | 94 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -80.6 | 122.7 | 177 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | R49 G55 S58 | R49-T53 WeakPolarHBondContact O-CB 3.4Å; R49-T53 PolarHBondContact O-N 2.99Å; R49-T53 PolarHBondContact O-OG1 2.87Å; T53-G55 PolarHBondContact O-N 3.46Å; T53-S58 WeakPolarHBondContact CB-OG 3.39Å; T53-S58 WeakPolarHBondContact CG2-OG 3.34Å; T53-S58 PolarHBondContact OG1-OG 3.02Å |
| 54 | V | 85.3 | Confident | 94 | Very high | 74 Ų | 74 | 38.9 Ų | 38.9 | 45% | 0.448 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -68.7 | 131.3 | 171.4 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | R248 | V54-R248 PolarHBondContact O-NH2 2.85Š|
| 55 | G | 90.2 | Very high | 94 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 87.2 | -164.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T53 E121 C136 | T53-G55 PolarHBondContact O-N 3.46Å; G55-E121 WeakPolarHBondContact CA-OE1 3.45Å; G55-C136 WeakPolarHBondContact CA-O 3.4Å; G55-C136 PolarHBondContact N-O 3.5Å |
| 56 | S | 94.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -102 | 1.4 | -173.5 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | S58 L59 L60 E121 G141 | S56-S58 VanDerWaalsContact C-N 3.32Å; S56-S58 PolarHBondContact O-N 3.32Å; S56-L59 WeakPolarHBondContact O-CB 3.32Å; S56-L59 PolarHBondContact O-N 2.82Å; S56-L60 WeakPolarHBondContact O-CG 3.4Å; S56-L60 PolarHBondContact O-N 2.85Å; S56-E121 PolarHBondContact N-OE1 3.27Å; S56-E121 VanDerWaalsContact OG-CD 3.24Å; S56-E121 PolarHBondContact OG-OE1 3.1Å; S56-G141 WeakPolarHBondContact OG-CA 3.41Å |
| 57 | T | 93.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -51.6 | -46.5 | -175.3 | -49.1 | 0 | 0 | 0 | 0 | 113.7 | L59 L60 I61 L118 E121 R122 V252 | T57-L59 VanDerWaalsContact C-N 3.35Å; T57-L60 PolarHBondContact O-N 2.78Å; T57-I61 HydrophobicContact CG2-CD1 3.82Å; T57-I61 WeakPolarHBondContact O-CB 3.46Å; T57-I61 WeakPolarHBondContact O-CG1 3.41Å; T57-I61 PolarHBondContact O-N 2.78Å; T57-L118 HydrophobicContact CG2-CD2 3.91Å; T57-E121 PolarHBondContact N-OE2 2.94Å; T57-E121 PolarHBondContact OG1-OE2 3.34Å; T57-R122 PolarHBondContact OG1-NH2 3.23Å; T57-V252 HydrophobicContact CG2-CG1 4.32Å |
| 58 | S | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | -179.9 | -77.4 | 0 | 0 | 0 | 0 | 112.6 | W46 R49 T53 S56 G62 | W46-S58 WeakPolarHBondContact O-CB 3.3Å; R49-S58 WeakPolarHBondContact CB-OG 3.42Å; T53-S58 WeakPolarHBondContact CB-OG 3.39Å; T53-S58 WeakPolarHBondContact CG2-OG 3.34Å; T53-S58 PolarHBondContact OG1-OG 3.02Å; S56-S58 VanDerWaalsContact C-N 3.32Å; S56-S58 PolarHBondContact O-N 3.32Å; S58-G62 PolarHBondContact O-N 3.35Å |
| 59 | L | 97 | Very high | 94.4 | Very high | 25 Ų | 25 | 29.7 Ų | 29.7 | 13% | 0.131 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -55.7 | 173 | 177 | 69.7 | 0 | 0 | 0 | 110.2 | L50 S56 T57 I61 G62 I63 L138 I142 L145 | L50-L59 HydrophobicContact CD1-CB 3.78Å; S56-L59 WeakPolarHBondContact O-CB 3.32Å; S56-L59 PolarHBondContact O-N 2.82Å; T57-L59 VanDerWaalsContact C-N 3.35Å; L59-I61 VanDerWaalsContact C-N 3.35Å; L59-I61 PolarHBondContact O-N 3.09Å; L59-G62 PolarHBondContact O-N 3.46Å; L59-G62 VanDerWaalsContact O-N 3.08Å; L59-I63 HydrophobicContact CD1-CG1 4.1Å; L59-I63 HydrophobicContact CG-CG1 4.37Å; L59-I63 WeakPolarHBondContact O-CG1 3.35Å; L59-I63 PolarHBondContact O-N 3.45Å; L59-L138 HydrophobicContact CB-CD1 4.04Å; L59-L138 HydrophobicContact CD2-CD1 3.87Å; L59-I142 HydrophobicContact CD2-CD1 4.29Å; L59-I142 HydrophobicContact CD2-CG1 3.43Å; L59-I142 VanDerWaalsContact CD2-CG1 3.43Å; L59-L145 HydrophobicContact CD2-CD2 4.49Å |
| 60 | L | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.4 | -50.2 | -176.9 | -71.7 | 176.3 | 0 | 0 | 0 | 110.9 | S56 T57 G62 I63 M64 I114 L117 L118 L145 | S56-L60 WeakPolarHBondContact O-CG 3.4Å; S56-L60 PolarHBondContact O-N 2.85Å; T57-L60 PolarHBondContact O-N 2.78Å; L60-G62 PolarHBondContact O-N 3.42Å; L60-I63 PolarHBondContact O-N 3.23Å; L60-M64 WeakPolarHBondContact O-CB 3.5Å; L60-M64 PolarHBondContact O-N 3.08Å; L60-I114 HydrophobicContact CB-CG2 3.94Å; L60-I114 HydrophobicContact CD2-CG2 4.45Å; L60-I114 WeakPolarHBondContact O-CG2 3.33Å; L60-L117 HydrophobicContact CD1-CB 3.99Å; L60-L117 HydrophobicContact CD2-CB 4.22Å; L60-L117 HydrophobicContact CD2-CD1 3.87Å; L60-L118 HydrophobicContact CB-CD2 3.79Å; L60-L118 HydrophobicContact CB-CG 4.18Å; L60-L118 HydrophobicContact CD1-CD2 3.88Å; L60-L118 HydrophobicContact CD1-CG 4.22Å; L60-L145 HydrophobicContact CD2-CB 4.22Å; L60-L145 HydrophobicContact CD2-CD1 4.23Å; L60-L145 HydrophobicContact CD2-CD2 4.43Å |
| 61 | I | 95.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.6 | -68.4 | 172.2 | 0 | 0 | 0 | 111.7 | W46 T57 L59 I63 M64 C65 L118 Y313 | W46-I61 HydrophobicContact CB-CG2 4.17Å; W46-I61 HydrophobicContact CD2-CB 4.27Å; W46-I61 HydrophobicContact CD2-CD1 4.29Å; W46-I61 HydrophobicContact CD2-CG2 3.82Å; W46-I61 HydrophobicContact CE3-CD1 4.43Å; W46-I61 HydrophobicContact CG-CB 4.14Å; W46-I61 HydrophobicContact CG-CG2 3.49Å; W46-I61 VanDerWaalsContact CG-CG2 3.49Å; W46-I61 HydrophobicContact CH2-CD1 4.07Å; W46-I61 HydrophobicContact CZ2-CD1 3.92Å; W46-I61 HydrophobicContact CZ3-CD1 4.33Å; W46-I61 VanDerWaalsContact NE1-CG2 3.32Å; T57-I61 HydrophobicContact CG2-CD1 3.82Å; T57-I61 WeakPolarHBondContact O-CB 3.46Å; T57-I61 WeakPolarHBondContact O-CG1 3.41Å; T57-I61 PolarHBondContact O-N 2.78Å; L59-I61 VanDerWaalsContact C-N 3.35Å; L59-I61 PolarHBondContact O-N 3.09Å; I61-I63 VanDerWaalsContact C-N 3.33Å; I61-I63 PolarHBondContact O-N 3.26Å; I61-M64 WeakPolarHBondContact O-CB 3.49Å; I61-M64 PolarHBondContact O-N 3.05Å; I61-C65 PolarHBondContact O-N 3.16Å; I61-C65 PolarHBondContact O-SG 3.45Å; I61-C65 VanDerWaalsContact O-SG 3.35Å; I61-L118 HydrophobicContact CG1-CD1 3.88Å; I61-L118 HydrophobicContact CG1-CD2 4.12Å; I61-Y313 HydrophobicContact CD1-CE1 4.14Å; I61-Y313 HydrophobicContact CG2-CE1 3.85Å; I61-Y313 HydrophobicContact CG2-CE2 4.12Å; I61-Y313 VanDerWaalsContact CG2-CZ 3.45Å; I61-Y313 WeakPolarHBondContact CG2-OH 3.33Å |
| 62 | G | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S58 L59 L60 C65 M66 | S58-G62 PolarHBondContact O-N 3.35Å; L59-G62 PolarHBondContact O-N 3.46Å; L59-G62 VanDerWaalsContact O-N 3.08Å; L60-G62 PolarHBondContact O-N 3.42Å; G62-C65 PolarHBondContact O-N 2.86Å; G62-M66 PolarHBondContact O-N 3.36Å; G62-M66 VanDerWaalsContact O-N 3.11Å |
| 63 | I | 98 | Very high | 95.4 | Very high | 37 Ų | 37 | 19.6 Ų | 19.6 | 19% | 0.19 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.5 | -38.8 | 175.4 | -62.3 | -59.1 | 0 | 0 | 0 | 111.2 | L59 L60 I61 C65 M66 T67 I114 L145 | L59-I63 HydrophobicContact CD1-CG1 4.1Å; L59-I63 HydrophobicContact CG-CG1 4.37Å; L59-I63 WeakPolarHBondContact O-CG1 3.35Å; L59-I63 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 3.23Å; I61-I63 VanDerWaalsContact C-N 3.33Å; I61-I63 PolarHBondContact O-N 3.26Å; I63-C65 PolarHBondContact O-N 3.12Å; I63-M66 HydrophobicContact CD1-CE 3.95Å; I63-M66 HydrophobicContact CG2-CE 4.21Å; I63-M66 WeakPolarHBondContact O-CB 3.45Å; I63-M66 PolarHBondContact O-N 3.35Å; I63-M66 VanDerWaalsContact O-N 3.12Å; I63-T67 PolarHBondContact O-N 3.44Å; I63-T67 PolarHBondContact O-OG1 3.18Å; I63-I114 HydrophobicContact CB-CD1 4.36Å; I63-I114 HydrophobicContact CG2-CD1 3.86Å; I63-L145 HydrophobicContact CG1-CD2 4.22Å; I63-L145 HydrophobicContact CG2-CD2 4.46Å |
| 64 | M | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 175 | -166.2 | 174.7 | 66.5 | 0 | 0 | 111.6 | L60 I61 M66 T67 D68 I114 I115 M259 Y313 | L60-M64 WeakPolarHBondContact O-CB 3.5Å; L60-M64 PolarHBondContact O-N 3.08Å; I61-M64 WeakPolarHBondContact O-CB 3.49Å; I61-M64 PolarHBondContact O-N 3.05Å; M64-M66 VanDerWaalsContact C-N 3.27Å; M64-M66 PolarHBondContact O-N 3.21Å; M64-T67 WeakPolarHBondContact CA-OG1 3.28Å; M64-T67 PolarHBondContact O-N 2.87Å; M64-T67 PolarHBondContact O-OG1 2.95Å; M64-D68 WeakPolarHBondContact O-CB 3.32Å; M64-D68 PolarHBondContact O-N 3.46Å; M64-I114 HydrophobicContact CB-CB 4.32Å; M64-I114 HydrophobicContact CB-CD1 4.08Å; M64-I114 HydrophobicContact CB-CG2 3.85Å; M64-I114 HydrophobicContact CG-CB 4.37Å; M64-I114 HydrophobicContact CG-CG2 4.25Å; M64-I114 HydrophobicContact SD-CB 4.4Å; M64-I114 HydrophobicContact SD-CG2 4.09Å; M64-I115 HydrophobicContact SD-CD1 4.5Å; M64-I115 HydrophobicContact SD-CG1 3.75Å; M64-M259 HydrophobicContact CE-CE 3.7Å; M64-M259 HydrophobicContact CE-SD 4.19Å; M64-Y313 WeakPolarHBondContact CE-OH 3.47Å |
| 65 | C | 98 | Very high | 96 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 174.4 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | N39 S42 M43 I61 G62 I63 D68 T69 | N39-C65 HydrophobicContact CB-CB 4.5Å; N39-C65 WeakPolarHBondContact O-CB 3.27Å; S42-C65 VanDerWaalsContact CB-SG 3.56Å; M43-C65 HydrophobicContact CB-CB 3.77Å; I61-C65 PolarHBondContact O-N 3.16Å; I61-C65 PolarHBondContact O-SG 3.45Å; I61-C65 VanDerWaalsContact O-SG 3.35Å; G62-C65 PolarHBondContact O-N 2.86Å; I63-C65 PolarHBondContact O-N 3.12Å; C65-D68 PolarHBondContact O-N 2.88Å; C65-T69 WeakPolarHBondContact O-CB 3.5Å; C65-T69 PolarHBondContact O-N 3.02Å; C65-T69 PolarHBondContact O-OG1 3.42Å |
| 66 | M | 97.4 | Very high | 96.2 | Very high | 95 Ų | 95 | 16 Ų | 16 | 47% | 0.468 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 175.4 | -176.2 | -176.7 | 70.7 | 0 | 0 | 111.7 | M43 G62 I63 M64 T69 Y70 | M43-M66 HydrophobicContact SD-CB 3.91Å; M43-M66 HydrophobicContact SD-CG 4.32Å; G62-M66 PolarHBondContact O-N 3.36Å; G62-M66 VanDerWaalsContact O-N 3.11Å; I63-M66 HydrophobicContact CD1-CE 3.95Å; I63-M66 HydrophobicContact CG2-CE 4.21Å; I63-M66 WeakPolarHBondContact O-CB 3.45Å; I63-M66 PolarHBondContact O-N 3.35Å; I63-M66 VanDerWaalsContact O-N 3.12Å; M64-M66 VanDerWaalsContact C-N 3.27Å; M64-M66 PolarHBondContact O-N 3.21Å; M66-T69 PolarHBondContact O-N 3Å; M66-Y70 PolarHBondContact O-N 3.45Å; M66-Y70 VanDerWaalsContact O-N 3.09Å |
| 67 | T | 97.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 5% | 0.049 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | I63 M64 Y70 V71 L110 | I63-T67 PolarHBondContact O-N 3.44Å; I63-T67 PolarHBondContact O-OG1 3.18Å; M64-T67 WeakPolarHBondContact CA-OG1 3.28Å; M64-T67 PolarHBondContact O-N 2.87Å; M64-T67 PolarHBondContact O-OG1 2.95Å; T67-Y70 WeakPolarHBondContact O-CB 3.45Å; T67-Y70 PolarHBondContact O-N 3.42Å; T67-V71 WeakPolarHBondContact O-CG2 3.19Å; T67-V71 PolarHBondContact O-N 2.9Å; T67-L110 HydrophobicContact CG2-CB 4.45Å; T67-L110 HydrophobicContact CG2-CD2 3.7Å; T67-L110 HydrophobicContact CG2-CG 4.07Å |
| 68 | D | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 177.3 | -68.6 | -32.1 | 0 | 0 | 0 | 112 | N39 M64 C65 Y70 V71 I72 S111 H306 H309 | N39-D68 VanDerWaalsContact ND2-CB 3.33Å; N39-D68 WeakPolarHBondContact ND2-CB 3.36Å; M64-D68 WeakPolarHBondContact O-CB 3.32Å; M64-D68 PolarHBondContact O-N 3.46Å; C65-D68 PolarHBondContact O-N 2.88Å; D68-Y70 VanDerWaalsContact C-N 3.29Å; D68-Y70 PolarHBondContact O-N 3.49Å; D68-V71 PolarHBondContact O-N 3.24Å; D68-I72 WeakPolarHBondContact O-CB 3.43Å; D68-I72 VanDerWaalsContact O-CG1 3.27Å; D68-I72 WeakPolarHBondContact O-CG1 3.2Å; D68-I72 PolarHBondContact O-N 3.16Å; D68-S111 WeakPolarHBondContact OD1-CB 3.15Å; D68-S111 PolarHBondContact OD1-OG 2.82Å; D68-H306 HydrophobicContact CB-CB 4.22Å; D68-H306 WeakPolarHBondContact CB-O 3.39Å; D68-H306 IonicContact OD1-CE1 3.37Å; D68-H306 IonicContact OD1-CG 3.09Å; D68-H306 IonicContact OD1-ND1 2.6Å; D68-H306 PolarHBondContact OD1-ND1 2.86Å; D68-H309 IonicContact OD2-CE1 3.73Å; D68-H309 PolarHBondContact OD2-CE1 2.69Å; D68-H309 VanDerWaalsContact OD2-CE1 3.31Å; D68-H309 IonicContact OD2-CG 3.18Å; D68-H309 IonicContact OD2-ND1 3.4Å; D68-H309 PolarHBondContact OD2-ND1 2.77Å |
| 69 | T | 97.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 20.4 Ų | 20.4 | 12% | 0.123 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58 | -44 | 172 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | I36 N39 L40 C65 M66 A73 | I36-T69 HydrophobicContact CG2-CG2 4.33Å; N39-T69 WeakPolarHBondContact CB-OG1 3.35Å; L40-T69 HydrophobicContact CD2-CG2 3.94Å; L40-T69 HydrophobicContact CG-CG2 4.11Å; C65-T69 WeakPolarHBondContact O-CB 3.5Å; C65-T69 PolarHBondContact O-N 3.02Å; C65-T69 PolarHBondContact O-OG1 3.42Å; M66-T69 PolarHBondContact O-N 3Å; T69-A73 WeakPolarHBondContact O-CB 3.41Å; T69-A73 PolarHBondContact O-N 3.29Å |
| 70 | Y | 97.2 | Very high | 95.7 | Very high | 73 Ų | 73 | 23.1 Ų | 23.1 | 29% | 0.286 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -64 | -46.7 | 176.5 | 172.9 | -94.8 | 0 | 0 | 0 | 112.1 | M66 T67 D68 I72 A73 H74 L103 S107 | M66-Y70 PolarHBondContact O-N 3.45Å; M66-Y70 VanDerWaalsContact O-N 3.09Å; T67-Y70 WeakPolarHBondContact O-CB 3.45Å; T67-Y70 PolarHBondContact O-N 3.42Å; D68-Y70 VanDerWaalsContact C-N 3.29Å; D68-Y70 PolarHBondContact O-N 3.49Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 3.49Å; Y70-A73 PolarHBondContact O-N 2.92Å; Y70-H74 HydrophobicContact CE1-CB 4.35Å; Y70-H74 HydrophobicContact CE2-CB 4.3Å; Y70-H74 WeakPolarHBondContact O-CB 3.44Å; Y70-H74 PolarHBondContact O-N 3.23Å; Y70-L103 HydrophobicContact CE1-CB 4.03Å; Y70-L103 WeakPolarHBondContact CE1-O 3.23Å; Y70-L103 WeakPolarHBondContact OH-CB 3.36Å; Y70-S107 VanDerWaalsContact CD1-OG 3.22Å; Y70-S107 WeakPolarHBondContact CD1-OG 3.41Å |
| 71 | V | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 179.4 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | T67 D68 G75 F104 M303 H306 | T67-V71 WeakPolarHBondContact O-CG2 3.19Å; T67-V71 PolarHBondContact O-N 2.9Å; D68-V71 PolarHBondContact O-N 3.24Å; V71-G75 VanDerWaalsContact O-CA 3.27Å; V71-G75 WeakPolarHBondContact O-CA 3.29Å; V71-G75 PolarHBondContact O-N 3.38Å; V71-F104 HydrophobicContact CG1-CE2 3.75Å; V71-F104 HydrophobicContact CG1-CZ 4.12Å; V71-M303 HydrophobicContact CG1-CE 4.33Å; V71-H306 HydrophobicContact CG1-CB 4.5Å |
| 72 | I | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -64.2 | -50.2 | 175.2 | -68.8 | 171 | 0 | 0 | 0 | 110.2 | I31 L32 I36 N39 D68 Y70 H74 C76 H306 M307 | I31-I72 HydrophobicContact CG2-CG2 4.25Å; L32-I72 HydrophobicContact CD2-CG2 3.98Å; I36-I72 HydrophobicContact CG1-CG2 3.9Å; N39-I72 WeakPolarHBondContact ND2-CD1 3.12Å; D68-I72 WeakPolarHBondContact O-CB 3.43Å; D68-I72 VanDerWaalsContact O-CG1 3.27Å; D68-I72 WeakPolarHBondContact O-CG1 3.2Å; D68-I72 PolarHBondContact O-N 3.16Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 3.49Å; I72-H74 PolarHBondContact O-N 3.21Å; I72-C76 WeakPolarHBondContact O-CA 3.43Å; I72-C76 WeakPolarHBondContact O-CB 3.33Å; I72-C76 PolarHBondContact O-N 3.07Å; I72-H306 HydrophobicContact CD1-CB 4.09Å; I72-H306 HydrophobicContact CG1-CB 3.84Å; I72-M307 HydrophobicContact CD1-CB 4.01Å |
| 73 | A | 96 | Very high | 94.5 | Very high | 34 Ų | 34 | 25.1 Ų | 25.1 | 28% | 0.281 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -59.3 | -47.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I36 T69 Y70 L77 | I36-A73 HydrophobicContact CD1-CB 4.1Å; T69-A73 WeakPolarHBondContact O-CB 3.41Å; T69-A73 PolarHBondContact O-N 3.29Å; Y70-A73 PolarHBondContact O-N 2.92Å; A73-L77 WeakPolarHBondContact O-CB 3.32Å; A73-L77 PolarHBondContact O-N 2.85Å |
| 74 | H | 94.2 | Very high | 94.1 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -76.9 | -51.6 | 179.9 | 179.1 | -96.8 | 0 | 0 | 0 | 112.3 | Y70 I72 R78 F104 | Y70-H74 HydrophobicContact CE1-CB 4.35Å; Y70-H74 HydrophobicContact CE2-CB 4.3Å; Y70-H74 WeakPolarHBondContact O-CB 3.44Å; Y70-H74 PolarHBondContact O-N 3.23Å; I72-H74 PolarHBondContact O-N 3.21Å; H74-R78 WeakPolarHBondContact O-CB 3.49Å; H74-R78 PolarHBondContact O-N 3.18Å; H74-F104 AromaticContact ND1-CD2 3.38Å; H74-F104 WeakPolarHBondContact ND1-CD2 3.49Å; H74-F104 AromaticContact ND1-CG 3.83Å |
| 75 | G | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -65.4 | -51.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V71 R78 Q79 | V71-G75 VanDerWaalsContact O-CA 3.27Å; V71-G75 WeakPolarHBondContact O-CA 3.29Å; V71-G75 PolarHBondContact O-N 3.38Å; G75-R78 PolarHBondContact O-N 3.33Å; G75-Q79 WeakPolarHBondContact O-CG 3.42Å; G75-Q79 PolarHBondContact O-N 3.48Å |
| 76 | C | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -71.1 | -36.4 | -178.7 | -62.8 | 0 | 0 | 0 | 0 | 112 | P28 L32 I72 R78 Q79 W80 | P28-C76 HydrophobicContact CB-CB 3.98Å; P28-C76 WeakPolarHBondContact CB-O 3.44Å; L32-C76 HydrophobicContact CD1-CB 4.03Å; L32-C76 HydrophobicContact CD2-CB 3.9Å; L32-C76 HydrophobicContact CG-CB 3.59Å; I72-C76 WeakPolarHBondContact O-CA 3.43Å; I72-C76 WeakPolarHBondContact O-CB 3.33Å; I72-C76 PolarHBondContact O-N 3.07Å; C76-R78 VanDerWaalsContact C-N 3.32Å; C76-R78 PolarHBondContact O-N 3.47Å; C76-Q79 PolarHBondContact O-N 3.12Å; C76-W80 VanDerWaalsContact O-CB 3.27Å; C76-W80 WeakPolarHBondContact O-CB 3.36Å; C76-W80 PolarHBondContact O-N 3.5Å |
| 77 | L | 93 | Very high | 92 | Very high | 69 Ų | 69 | 32.7 Ų | 32.7 | 36% | 0.361 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.6 | -178.6 | 65.5 | 0 | 0 | 0 | 111.2 | A73 W80 I81 I91 | A73-L77 WeakPolarHBondContact O-CB 3.32Å; A73-L77 PolarHBondContact O-N 2.85Å; L77-W80 HydrophobicContact CD1-CE3 3.96Å; L77-W80 HydrophobicContact CD1-CZ3 4.3Å; L77-W80 PolarHBondContact O-N 2.88Å; L77-I81 HydrophobicContact CD1-CD1 4Å; L77-I81 HydrophobicContact CD1-CG1 4.45Å; L77-I81 HydrophobicContact CG-CD1 3.9Å; L77-I81 VanDerWaalsContact O-CG1 3.27Å; L77-I81 WeakPolarHBondContact O-CG1 3.44Å; L77-I81 PolarHBondContact O-N 2.79Å; L77-I91 HydrophobicContact CD2-CD1 4.43Å; L77-I91 HydrophobicContact CG-CD1 4.44Å |
| 78 | R | 91.2 | Very high | 91.1 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.6 | -54 | 174.1 | 177.5 | -178 | 167.7 | -92.7 | -2.1 | 111.1 | H74 G75 C76 W80 I81 I82 D90 I91 R92 | H74-R78 WeakPolarHBondContact O-CB 3.49Å; H74-R78 PolarHBondContact O-N 3.18Å; G75-R78 PolarHBondContact O-N 3.33Å; C76-R78 VanDerWaalsContact C-N 3.32Å; C76-R78 PolarHBondContact O-N 3.47Å; R78-W80 VanDerWaalsContact C-N 3.27Å; R78-W80 PolarHBondContact O-N 2.89Å; R78-I81 PolarHBondContact O-N 3.47Å; R78-I82 HydrophobicContact CG-CD1 3.76Å; R78-I82 HydrophobicContact CG-CG1 4.42Å; R78-I82 WeakPolarHBondContact O-CG1 3.38Å; R78-I82 PolarHBondContact O-N 2.92Å; R78-D90 IonicContact CZ-OD2 4Å; R78-D90 IonicContact NE-OD1 3.27Å; R78-D90 PolarHBondContact NE-OD1 2.88Å; R78-D90 IonicContact NE-OD2 3.05Å; R78-D90 PolarHBondContact NE-OD2 3.14Å; R78-D90 IonicContact NH2-OD2 2.86Å; R78-D90 PolarHBondContact NH2-OD2 3.22Å; R78-I91 HydrophobicContact CB-CD1 3.91Å; R78-I91 HydrophobicContact CB-CG1 4.04Å; R78-I91 HydrophobicContact CG-CG1 4.26Å; R78-R92 VanDerWaalsContact NE-CZ 3.3Å |
| 79 | Q | 91.2 | Very high | 90.5 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | -177.3 | -62.1 | -59.9 | 2.7 | 0 | 0 | 112 | Y24 P28 G75 C76 I82 G83 V299 | Y24-Q79 HydrophobicContact CD1-CB 4.31Å; Y24-Q79 HydrophobicContact CE1-CB 4.4Å; Y24-Q79 HydrophobicContact CE1-CG 4.43Å; Y24-Q79 HydrophobicContact CG-CB 4.36Å; P28-Q79 HydrophobicContact CB-CB 4.29Å; P28-Q79 HydrophobicContact CG-CB 3.81Å; G75-Q79 WeakPolarHBondContact O-CG 3.42Å; G75-Q79 PolarHBondContact O-N 3.48Å; C76-Q79 PolarHBondContact O-N 3.12Å; Q79-I82 PolarHBondContact O-N 3.19Å; Q79-G83 PolarHBondContact O-N 2.89Å; Q79-V299 HydrophobicContact CG-CG1 4.39Å |
| 80 | W | 92.7 | Very high | 89.9 | Confident | 82 Ų | 82 | 42.6 Ų | 42.6 | 31% | 0.311 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 174.5 | -175.9 | 53.1 | 0 | 0 | 0 | 112.3 | Y24 S25 P28 I29 C76 L77 R78 I82 G83 I84 | Y24-W80 WeakPolarHBondContact O-CA 3.37Å; S25-W80 PolarHBondContact O-NE1 3.02Å; P28-W80 HydrophobicContact CB-CB 4.06Å; I29-W80 HydrophobicContact CB-CG 4.5Å; C76-W80 VanDerWaalsContact O-CB 3.27Å; C76-W80 WeakPolarHBondContact O-CB 3.36Å; C76-W80 PolarHBondContact O-N 3.5Å; L77-W80 HydrophobicContact CD1-CE3 3.96Å; L77-W80 HydrophobicContact CD1-CZ3 4.3Å; L77-W80 PolarHBondContact O-N 2.88Å; R78-W80 VanDerWaalsContact C-N 3.27Å; R78-W80 PolarHBondContact O-N 2.89Å; W80-I82 VanDerWaalsContact C-N 3.35Å; W80-I82 PolarHBondContact O-N 2.82Å; W80-G83 PolarHBondContact O-N 3.28Å; W80-G83 VanDerWaalsContact O-N 3.15Å; W80-I84 HydrophobicContact CZ2-CD1 4.39Å; W80-I84 WeakPolarHBondContact O-CG1 3.31Å; W80-I84 PolarHBondContact O-N 3.25Å |
| 81 | I | 90.3 | Very high | 89.4 | Confident | 29 Ų | 29 | 40.8 Ų | 40.8 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 178.5 | -69.4 | 168.1 | 0 | 0 | 0 | 111 | L77 R78 G83 I84 T85 V89 I91 | L77-I81 HydrophobicContact CD1-CD1 4Å; L77-I81 HydrophobicContact CD1-CG1 4.45Å; L77-I81 HydrophobicContact CG-CD1 3.9Å; L77-I81 VanDerWaalsContact O-CG1 3.27Å; L77-I81 WeakPolarHBondContact O-CG1 3.44Å; L77-I81 PolarHBondContact O-N 2.79Å; R78-I81 PolarHBondContact O-N 3.47Å; I81-G83 VanDerWaalsContact C-N 3.3Å; I81-G83 PolarHBondContact O-N 2.93Å; I81-I84 WeakPolarHBondContact O-CG1 3.49Å; I81-I84 PolarHBondContact O-N 2.97Å; I81-T85 HydrophobicContact CG2-CG2 4.32Å; I81-T85 WeakPolarHBondContact O-CB 3.26Å; I81-T85 WeakPolarHBondContact O-CG2 3.36Å; I81-T85 PolarHBondContact O-N 3.4Å; I81-T85 PolarHBondContact O-OG1 3.45Å; I81-V89 HydrophobicContact CG2-CB 4.03Å; I81-V89 HydrophobicContact CG2-CG1 3.84Å; I81-I91 HydrophobicContact CD1-CG2 3.34Å; I81-I91 HydrophobicContact CG2-CG2 4.4Å |
| 82 | I | 87.2 | Confident | 89 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 174.3 | -70.7 | 174.6 | 0 | 0 | 0 | 110.5 | Y24 R78 Q79 W80 N86 E87 | Y24-I82 HydrophobicContact CD2-CG2 4.36Å; R78-I82 HydrophobicContact CG-CD1 3.76Å; R78-I82 HydrophobicContact CG-CG1 4.42Å; R78-I82 WeakPolarHBondContact O-CG1 3.38Å; R78-I82 PolarHBondContact O-N 2.92Å; Q79-I82 PolarHBondContact O-N 3.19Å; W80-I82 VanDerWaalsContact C-N 3.35Å; W80-I82 PolarHBondContact O-N 2.82Å; I82-N86 PolarHBondContact O-N 3.24Å; I82-E87 HydrophobicContact CG2-CB 4.36Å; I82-E87 HydrophobicContact CG2-CG 3.8Å; I82-E87 PolarHBondContact O-N 3.3Å |
| 83 | G | 87.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -52.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S25 Q79 W80 I81 T85 N86 | S25-G83 PolarHBondContact OG-O 3.46Å; Q79-G83 PolarHBondContact O-N 2.89Å; W80-G83 PolarHBondContact O-N 3.28Å; W80-G83 VanDerWaalsContact O-N 3.15Å; I81-G83 VanDerWaalsContact C-N 3.3Å; I81-G83 PolarHBondContact O-N 2.93Å; G83-T85 VanDerWaalsContact C-N 3.33Å; G83-T85 PolarHBondContact O-N 3.37Å; G83-N86 PolarHBondContact O-N 3.04Å |
| 84 | I | 89.9 | Confident | 88 | Confident | 88 Ų | 88 | 49.6 Ų | 49.6 | 45% | 0.451 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -73.3 | -23.9 | -176.3 | 66.8 | -180 | 0 | 0 | 0 | 113.4 | W80 I81 | W80-I84 HydrophobicContact CZ2-CD1 4.39Å; W80-I84 WeakPolarHBondContact O-CG1 3.31Å; W80-I84 PolarHBondContact O-N 3.25Å; I81-I84 WeakPolarHBondContact O-CG1 3.49Å; I81-I84 PolarHBondContact O-N 2.97Å |
| 85 | T | 86.8 | Confident | 87.6 | Confident | 35 Ų | 35 | 54.6 Ų | 54.6 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 2.6 | 179.4 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | I81 G83 K88 V89 | I81-T85 HydrophobicContact CG2-CG2 4.32Å; I81-T85 WeakPolarHBondContact O-CB 3.26Å; I81-T85 WeakPolarHBondContact O-CG2 3.36Å; I81-T85 PolarHBondContact O-N 3.4Å; I81-T85 PolarHBondContact O-OG1 3.45Å; G83-T85 VanDerWaalsContact C-N 3.33Å; G83-T85 PolarHBondContact O-N 3.37Å; T85-K88 VanDerWaalsContact O-CB 3.32Å; T85-K88 WeakPolarHBondContact O-CB 3.14Å; T85-K88 WeakPolarHBondContact O-CD 3.31Å; T85-K88 WeakPolarHBondContact O-CG 3.39Å; T85-K88 PolarHBondContact O-N 3.29Å; T85-V89 HydrophobicContact CG2-CB 3.95Å; T85-V89 HydrophobicContact CG2-CG2 3.89Å; T85-V89 PolarHBondContact OG1-N 3.49Å |
| 86 | N | 82.3 | Confident | 87.3 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 54.2 | -172.6 | -64.7 | -42.3 | 0 | 0 | 0 | 111.8 | I82 G83 K88 | I82-N86 PolarHBondContact O-N 3.24Å; G83-N86 PolarHBondContact O-N 3.04Å; N86-K88 PolarHBondContact O-N 3.01Å; N86-K88 VanDerWaalsContact O-N 3.1Å |
| 87 | E | 78.3 | Confident | 87.1 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 9.3 | 177.3 | -49.1 | -171.4 | 169.9 | 0 | 0 | 115.2 | K15 I82 R296 | K15-E87 WeakPolarHBondContact CD-OE1 3.29Å; K15-E87 WeakPolarHBondContact CD-OE2 3.26Å; K15-E87 IonicContact NZ-OE1 2.99Å; K15-E87 PolarHBondContact NZ-OE1 3.5Å; K15-E87 IonicContact NZ-OE2 2.93Å; K15-E87 PolarHBondContact NZ-OE2 3.03Å; I82-E87 HydrophobicContact CG2-CB 4.36Å; I82-E87 HydrophobicContact CG2-CG 3.8Å; I82-E87 PolarHBondContact O-N 3.3Å; E87-R296 IonicContact OE1-CZ 3.89Å; E87-R296 IonicContact OE1-NH2 3.78Å; E87-R296 PolarHBondContact OE1-NH2 3.37Å |
| 88 | K | 79.9 | Confident | 87.1 | Confident | 148 Ų | 148 | 53.5 Ų | 53.5 | 64% | 0.643 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -76.4 | -25.9 | 179.7 | -65 | 177.6 | -176.3 | -178.3 | 0 | 114.3 | T85 N86 N168 | T85-K88 VanDerWaalsContact O-CB 3.32Å; T85-K88 WeakPolarHBondContact O-CB 3.14Å; T85-K88 WeakPolarHBondContact O-CD 3.31Å; T85-K88 WeakPolarHBondContact O-CG 3.39Å; T85-K88 PolarHBondContact O-N 3.29Å; N86-K88 PolarHBondContact O-N 3.01Å; N86-K88 VanDerWaalsContact O-N 3.1Å; K88-N168 PolarHBondContact O-ND2 2.85Å |
| 89 | V | 84.1 | Confident | 87.3 | Confident | 69 Ų | 69 | 57 Ų | 57 | 42% | 0.418 | 29% | 0.287 | S | S | . | . | trans | -126.2 | 124.2 | -175.2 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | I81 T85 | I81-V89 HydrophobicContact CG2-CB 4.03Å; I81-V89 HydrophobicContact CG2-CG1 3.84Å; T85-V89 HydrophobicContact CG2-CB 3.95Å; T85-V89 HydrophobicContact CG2-CG2 3.89Å; T85-V89 PolarHBondContact OG1-N 3.49Å | ||
| 90 | D | 85.4 | Confident | 87.4 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | trans | -121 | 119.3 | 168.4 | -168.2 | -29.1 | 0 | 0 | 0 | 110.6 | R78 R92 I93 | R78-D90 IonicContact CZ-OD2 4Å; R78-D90 IonicContact NE-OD1 3.27Å; R78-D90 PolarHBondContact NE-OD1 2.88Å; R78-D90 IonicContact NE-OD2 3.05Å; R78-D90 PolarHBondContact NE-OD2 3.14Å; R78-D90 IonicContact NH2-OD2 2.86Å; R78-D90 PolarHBondContact NH2-OD2 3.22Å; D90-R92 PolarHBondContact O-N 3.39Å; D90-R92 VanDerWaalsContact O-N 3.15Å; D90-R92 VanDerWaalsContact OD1-CB 3.3Å; D90-R92 WeakPolarHBondContact OD1-CB 3.44Å; D90-R92 VanDerWaalsContact OD1-CG 3.24Å; D90-R92 WeakPolarHBondContact OD1-CG 3.28Å; D90-R92 PolarHBondContact OD1-N 3.07Å; D90-R92 IonicContact OD1-NE 3.18Å; D90-R92 PolarHBondContact OD1-NE 3.45Å; D90-R92 IonicContact OD2-CZ 2.82Å; D90-R92 IonicContact OD2-NE 3.96Å; D90-R92 PolarHBondContact OD2-NE 3.14Å; D90-R92 IonicContact OD2-NH2 2.99Å; D90-R92 PolarHBondContact OD2-NH2 2.71Å; D90-I93 HydrophobicContact CB-CD1 3.83Å; D90-I93 HydrophobicContact CB-CG1 4.25Å; D90-I93 WeakPolarHBondContact O-CB 3.32Å; D90-I93 PolarHBondContact O-N 3.29Å | ||
| 91 | I | 86.8 | Confident | 87.4 | Confident | 35 Ų | 35 | 53 Ų | 53 | 18% | 0.179 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -22.7 | -179.7 | 60.1 | 171.6 | 0 | 0 | 0 | 113.6 | L77 R78 I81 I93 K94 F95 | L77-I91 HydrophobicContact CD2-CD1 4.43Å; L77-I91 HydrophobicContact CG-CD1 4.44Å; R78-I91 HydrophobicContact CB-CD1 3.91Å; R78-I91 HydrophobicContact CB-CG1 4.04Å; R78-I91 HydrophobicContact CG-CG1 4.26Å; I81-I91 HydrophobicContact CD1-CG2 3.34Å; I81-I91 HydrophobicContact CG2-CG2 4.4Å; I91-I93 PolarHBondContact O-N 3.08Å; I91-K94 PolarHBondContact O-N 2.87Å; I91-F95 WeakPolarHBondContact O-CD2 3.31Å |
| 92 | R | 87.4 | Confident | 87.6 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -32.7 | 179.3 | -64.4 | 178.4 | -60.4 | 172.6 | 5.6 | 111.9 | R78 D90 K94 F95 G96 C97 P100 L101 | R78-R92 VanDerWaalsContact NE-CZ 3.3Å; D90-R92 PolarHBondContact O-N 3.39Å; D90-R92 VanDerWaalsContact O-N 3.15Å; D90-R92 VanDerWaalsContact OD1-CB 3.3Å; D90-R92 WeakPolarHBondContact OD1-CB 3.44Å; D90-R92 VanDerWaalsContact OD1-CG 3.24Å; D90-R92 WeakPolarHBondContact OD1-CG 3.28Å; D90-R92 PolarHBondContact OD1-N 3.07Å; D90-R92 IonicContact OD1-NE 3.18Å; D90-R92 PolarHBondContact OD1-NE 3.45Å; D90-R92 IonicContact OD2-CZ 2.82Å; D90-R92 IonicContact OD2-NE 3.96Å; D90-R92 PolarHBondContact OD2-NE 3.14Å; D90-R92 IonicContact OD2-NH2 2.99Å; D90-R92 PolarHBondContact OD2-NH2 2.71Å; R92-K94 VanDerWaalsContact C-N 3.31Å; R92-K94 PolarHBondContact O-N 3.46Å; R92-F95 PolarHBondContact O-N 3.03Å; R92-G96 PolarHBondContact O-N 2.7Å; R92-C97 PolarHBondContact O-N 3.3Å; R92-P100 HydrophobicContact CB-CB 4.3Å; R92-P100 HydrophobicContact CG-CB 4.04Å; R92-L101 HydrophobicContact CG-CD1 4.48Å |
| 93 | I | 87.5 | Confident | 88 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 18% | 0.179 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | -177.8 | -62 | 163.3 | 0 | 0 | 0 | 110.4 | D90 I91 F95 G96 V165 N168 | D90-I93 HydrophobicContact CB-CD1 3.83Å; D90-I93 HydrophobicContact CB-CG1 4.25Å; D90-I93 WeakPolarHBondContact O-CB 3.32Å; D90-I93 PolarHBondContact O-N 3.29Å; I91-I93 PolarHBondContact O-N 3.08Å; I93-F95 PolarHBondContact O-N 3.22Å; I93-G96 PolarHBondContact O-N 2.91Å; I93-G96 VanDerWaalsContact O-N 3.08Å; I93-V165 HydrophobicContact CG2-CG1 3.74Å; I93-V165 HydrophobicContact CG2-CG2 4.1Å; I93-N168 HydrophobicContact CD1-CB 4.43Å; I93-N168 WeakPolarHBondContact CD1-O 3.38Å; I93-N168 WeakPolarHBondContact CD1-OD1 3.08Å |
| 94 | K | 85.4 | Confident | 88.4 | Confident | 177 Ų | 177 | 55.5 Ų | 55.5 | 77% | 0.77 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.7 | -28 | -179.6 | -170.6 | 174.7 | -179.1 | 178.9 | 0 | 113.1 | I91 R92 | I91-K94 PolarHBondContact O-N 2.87Å; R92-K94 VanDerWaalsContact C-N 3.31Å; R92-K94 PolarHBondContact O-N 3.46Å |
| 95 | F | 85 | Confident | 88.6 | Confident | 135 Ų | 135 | 51.6 Ų | 51.6 | 59% | 0.592 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 16 | 180 | -61.1 | -72.5 | 0 | 0 | 0 | 113 | I91 R92 I93 P100 | I91-F95 WeakPolarHBondContact O-CD2 3.31Å; R92-F95 PolarHBondContact O-N 3.03Å; I93-F95 PolarHBondContact O-N 3.22Å; F95-P100 HydrophobicContact CB-CG 3.56Å; F95-P100 HydrophobicContact CG-CG 4.49Å |
| 96 | G | 87 | Confident | 89.1 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 46% | 0.464 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R92 I93 G98 | R92-G96 PolarHBondContact O-N 2.7Å; I93-G96 PolarHBondContact O-N 2.91Å; I93-G96 VanDerWaalsContact O-N 3.08Å; G96-G98 PolarHBondContact O-N 2.96Å |
| 97 | C | 90.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 47.1 | -64.2 | 173.3 | -71 | 0 | 0 | 0 | 0 | 116.8 | R92 I99 P100 L101 V163 V165 C170 | R92-C97 PolarHBondContact O-N 3.3Å; C97-I99 PolarHBondContact O-N 2.93Å; C97-P100 VanDerWaalsContact O-CD 3.28Å; C97-P100 WeakPolarHBondContact O-CD 3.39Å; C97-L101 HydrophobicContact CB-CD1 4.15Å; C97-L101 VanDerWaalsContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.46Å; C97-L101 WeakPolarHBondContact O-CD1 3.15Å; C97-L101 PolarHBondContact O-N 3.48Å; C97-V163 HydrophobicContact CB-CG1 3.97Å; C97-V165 HydrophobicContact CB-CG2 4.46Å; C97-C170 HydrophobicContact CB-CB 3.84Å; C97-C170 WeakPolarHBondContact CB-SG 3.38Å; C97-C170 WeakPolarHBondContact SG-CA 3.19Å; C97-C170 WeakPolarHBondContact SG-CB 3.38Å; C97-C170 CovalentContact SG-SG 2.04Å; C97-C170 PolarHBondContact SG-SG 3.44Å |
| 98 | G | 93.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -51.4 | -47.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G96 L101 F102 Y159 | G96-G98 PolarHBondContact O-N 2.96Å; G98-L101 PolarHBondContact O-N 3.46Å; G98-F102 VanDerWaalsContact O-CB 3.29Å; G98-F102 WeakPolarHBondContact O-CB 3.41Å; G98-F102 PolarHBondContact O-N 3.28Å; G98-Y159 WeakPolarHBondContact CA-O 3.02Å |
| 99 | I | 94.2 | Very high | 91.4 | Very high | 96 Ų | 96 | 37.1 Ų | 37.1 | 49% | 0.492 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.8 | -52.5 | 180 | -64.9 | 170.1 | 0 | 0 | 0 | 111.9 | C97 L101 F102 L103 | C97-I99 PolarHBondContact O-N 2.93Å; I99-L101 VanDerWaalsContact C-N 3.27Å; I99-L101 PolarHBondContact O-N 3.3Å; I99-F102 PolarHBondContact O-N 2.86Å; I99-L103 HydrophobicContact CG2-CD1 3.83Å; I99-L103 HydrophobicContact CG2-CG 4.28Å; I99-L103 WeakPolarHBondContact O-CG 3.41Å; I99-L103 PolarHBondContact O-N 3.01Å |
| 100 | P | 93.5 | Very high | 92 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.4 | -40.5 | 173 | -29.2 | 33.7 | 0 | 0 | 0 | 114.1 | R92 F95 C97 F104 | R92-P100 HydrophobicContact CB-CB 4.3Å; R92-P100 HydrophobicContact CG-CB 4.04Å; F95-P100 HydrophobicContact CB-CG 3.56Å; F95-P100 HydrophobicContact CG-CG 4.49Å; C97-P100 VanDerWaalsContact O-CD 3.28Å; C97-P100 WeakPolarHBondContact O-CD 3.39Å; P100-F104 WeakPolarHBondContact O-CB 3.17Å; P100-F104 PolarHBondContact O-N 3.15Å |
| 101 | L | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -52.6 | 177.2 | -92.9 | 72.6 | 0 | 0 | 0 | 111.2 | L3 I5 R92 C97 G98 I99 F104 T105 Y159 V163 C170 | L3-L101 HydrophobicContact CB-CD2 4.46Å; L3-L101 HydrophobicContact CD1-CB 3.87Å; L3-L101 HydrophobicContact CD1-CD2 3.65Å; L3-L101 HydrophobicContact CD1-CG 3.41Å; L3-L101 VanDerWaalsContact CD1-CG 3.41Å; L3-L101 HydrophobicContact CD2-CD1 3.77Å; L3-L101 HydrophobicContact CD2-CD2 4.07Å; L3-L101 HydrophobicContact CD2-CG 3.45Å; L3-L101 VanDerWaalsContact CD2-CG 3.45Å; L3-L101 HydrophobicContact CG-CD2 4.23Å; L3-L101 HydrophobicContact CG-CG 3.94Å; I5-L101 HydrophobicContact CG1-CD2 4.4Å; R92-L101 HydrophobicContact CG-CD1 4.48Å; C97-L101 HydrophobicContact CB-CD1 4.15Å; C97-L101 VanDerWaalsContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.46Å; C97-L101 WeakPolarHBondContact O-CD1 3.15Å; C97-L101 PolarHBondContact O-N 3.48Å; G98-L101 PolarHBondContact O-N 3.46Å; I99-L101 VanDerWaalsContact C-N 3.27Å; I99-L101 PolarHBondContact O-N 3.3Å; L101-F104 PolarHBondContact O-N 3.42Å; L101-T105 PolarHBondContact O-N 3.44Å; L101-T105 PolarHBondContact O-OG1 3.49Å; L101-T105 VanDerWaalsContact O-OG1 3.1Å; L101-Y159 HydrophobicContact CB-CD1 4.16Å; L101-Y159 HydrophobicContact CB-CG 4.06Å; L101-Y159 HydrophobicContact CD2-CD1 3.78Å; L101-Y159 HydrophobicContact CD2-CE1 4.21Å; L101-V163 HydrophobicContact CD2-CB 4.15Å; L101-V163 HydrophobicContact CD2-CG1 3.82Å; L101-V163 HydrophobicContact CD2-CG2 3.86Å; L101-C170 HydrophobicContact CD1-CB 4.34Å |
| 102 | F | 95.7 | Very high | 93 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.5 | -56.7 | 177.4 | 164.3 | -111.1 | 0 | 0 | 0 | 111.1 | G98 I99 F104 T105 F106 A153 N156 I157 V160 | G98-F102 VanDerWaalsContact O-CB 3.29Å; G98-F102 WeakPolarHBondContact O-CB 3.41Å; G98-F102 PolarHBondContact O-N 3.28Å; I99-F102 PolarHBondContact O-N 2.86Å; F102-F104 VanDerWaalsContact C-N 3.31Å; F102-F104 PolarHBondContact O-N 3.37Å; F102-T105 PolarHBondContact O-N 3.5Å; F102-F106 HydrophobicContact CD2-CB 4.39Å; F102-F106 HydrophobicContact CE2-CB 4.13Å; F102-F106 HydrophobicContact CE2-CG 4.46Å; F102-F106 HydrophobicContact CZ-CB 4.43Å; F102-F106 HydrophobicContact CZ-CG 4.4Å; F102-F106 WeakPolarHBondContact O-CB 3.44Å; F102-F106 PolarHBondContact O-N 3.26Å; F102-A153 HydrophobicContact CZ-CB 4.44Å; F102-N156 HydrophobicContact CD2-CB 3.89Å; F102-N156 WeakPolarHBondContact CD2-O 3.36Å; F102-N156 HydrophobicContact CE2-CB 4.06Å; F102-I157 HydrophobicContact CD2-CD1 4.28Å; F102-I157 HydrophobicContact CE1-CD1 4.41Å; F102-I157 HydrophobicContact CE2-CB 4.34Å; F102-I157 HydrophobicContact CE2-CD1 4Å; F102-I157 HydrophobicContact CZ-CD1 4.07Å; F102-V160 HydrophobicContact CB-CG2 4.18Å; F102-V160 HydrophobicContact CG-CG2 4.38Å |
| 103 | L | 95.9 | Very high | 93.4 | Very high | 64 Ų | 64 | 34.3 Ų | 34.3 | 34% | 0.335 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.4 | -39.2 | -174.7 | -71.1 | 174.7 | 0 | 0 | 0 | 112 | Y70 I99 S107 | Y70-L103 HydrophobicContact CE1-CB 4.03Å; Y70-L103 WeakPolarHBondContact CE1-O 3.23Å; Y70-L103 WeakPolarHBondContact OH-CB 3.36Å; I99-L103 HydrophobicContact CG2-CD1 3.83Å; I99-L103 HydrophobicContact CG2-CG 4.28Å; I99-L103 WeakPolarHBondContact O-CG 3.41Å; I99-L103 PolarHBondContact O-N 3.01Å; L103-S107 WeakPolarHBondContact O-CB 3.44Å; L103-S107 PolarHBondContact O-N 2.91Å; L103-S107 PolarHBondContact O-OG 3.34Å |
| 104 | F | 94.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.022 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66 | -51.7 | 178.4 | -178.8 | -92.8 | 0 | 0 | 0 | 112.1 | I2 V71 H74 P100 L101 F102 S107 T108 M303 | I2-F104 HydrophobicContact CB-CD1 4.33Å; I2-F104 HydrophobicContact CB-CE1 3.62Å; I2-F104 HydrophobicContact CB-CZ 4.05Å; I2-F104 HydrophobicContact CD1-CE1 3.98Å; I2-F104 HydrophobicContact CD1-CE2 4.29Å; I2-F104 HydrophobicContact CD1-CZ 3.47Å; I2-F104 VanDerWaalsContact CD1-CZ 3.47Å; I2-F104 HydrophobicContact CG1-CE1 3.82Å; I2-F104 HydrophobicContact CG1-CZ 3.85Å; I2-F104 HydrophobicContact CG2-CE1 4.37Å; V71-F104 HydrophobicContact CG1-CE2 3.75Å; V71-F104 HydrophobicContact CG1-CZ 4.12Å; H74-F104 AromaticContact ND1-CD2 3.38Å; H74-F104 WeakPolarHBondContact ND1-CD2 3.49Å; H74-F104 AromaticContact ND1-CG 3.83Å; P100-F104 WeakPolarHBondContact O-CB 3.17Å; P100-F104 PolarHBondContact O-N 3.15Å; L101-F104 PolarHBondContact O-N 3.42Å; F102-F104 VanDerWaalsContact C-N 3.31Å; F102-F104 PolarHBondContact O-N 3.37Å; F104-S107 PolarHBondContact O-N 3.34Å; F104-T108 WeakPolarHBondContact O-CB 3.27Å; F104-T108 PolarHBondContact O-N 2.92Å; F104-T108 PolarHBondContact O-OG1 3.48Å; F104-M303 HydrophobicContact CZ-CE 4.06Å |
| 105 | T | 94 | Very high | 94.3 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -46.6 | -179.4 | -50.4 | 0 | 0 | 0 | 0 | 110.5 | L3 L101 F102 S107 T108 D109 N156 Y159 | L3-T105 WeakPolarHBondContact CD1-OG1 3.37Å; L101-T105 PolarHBondContact O-N 3.44Å; L101-T105 PolarHBondContact O-OG1 3.49Å; L101-T105 VanDerWaalsContact O-OG1 3.1Å; F102-T105 PolarHBondContact O-N 3.5Å; T105-S107 PolarHBondContact O-N 2.89Å; T105-T108 WeakPolarHBondContact O-CB 3.35Å; T105-T108 PolarHBondContact O-N 3.28Å; T105-D109 PolarHBondContact O-N 2.99Å; T105-N156 WeakPolarHBondContact CG2-OD1 3.44Å; T105-Y159 HydrophobicContact CG2-CE2 4.08Å |
| 106 | F | 97.3 | Very high | 94.8 | Very high | 29 Ų | 29 | 18.1 Ų | 18.1 | 13% | 0.127 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.3 | -47.6 | 175.1 | 166.3 | -102.8 | 0 | 0 | 0 | 112.7 | F102 T108 D109 L110 V149 L152 A153 N156 | F102-F106 HydrophobicContact CD2-CB 4.39Å; F102-F106 HydrophobicContact CE2-CB 4.13Å; F102-F106 HydrophobicContact CE2-CG 4.46Å; F102-F106 HydrophobicContact CZ-CB 4.43Å; F102-F106 HydrophobicContact CZ-CG 4.4Å; F102-F106 WeakPolarHBondContact O-CB 3.44Å; F102-F106 PolarHBondContact O-N 3.26Å; F106-T108 VanDerWaalsContact C-N 3.34Å; F106-T108 PolarHBondContact O-N 3.38Å; F106-D109 PolarHBondContact O-N 3.32Å; F106-L110 HydrophobicContact CE1-CD2 4.02Å; F106-L110 HydrophobicContact CE2-CD2 4.48Å; F106-L110 HydrophobicContact CZ-CD2 3.74Å; F106-L110 WeakPolarHBondContact O-CB 3.38Å; F106-L110 PolarHBondContact O-N 2.97Å; F106-V149 HydrophobicContact CE2-CG1 4.4Å; F106-V149 HydrophobicContact CZ-CG1 4.06Å; F106-L152 HydrophobicContact CD2-CB 4Å; F106-L152 HydrophobicContact CE2-CB 4.07Å; F106-A153 HydrophobicContact CD2-CB 4.31Å; F106-A153 HydrophobicContact CE2-CB 4.08Å; F106-N156 HydrophobicContact CB-CB 4.35Å |
| 107 | S | 97.5 | Very high | 95.2 | Very high | 11 Ų | 11 | 16.7 Ų | 16.7 | 8% | 0.077 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.3 | -34.9 | -178.2 | -59 | 0 | 0 | 0 | 0 | 112.3 | Y70 L103 F104 T105 S111 | Y70-S107 VanDerWaalsContact CD1-OG 3.22Å; Y70-S107 WeakPolarHBondContact CD1-OG 3.41Å; L103-S107 WeakPolarHBondContact O-CB 3.44Å; L103-S107 PolarHBondContact O-N 2.91Å; L103-S107 PolarHBondContact O-OG 3.34Å; F104-S107 PolarHBondContact O-N 3.34Å; T105-S107 PolarHBondContact O-N 2.89Å; S107-S111 PolarHBondContact O-N 3.08Å |
| 108 | T | 95.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.2 | -48 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | F104 T105 F106 S111 T112 Y191 | F104-T108 WeakPolarHBondContact O-CB 3.27Å; F104-T108 PolarHBondContact O-N 2.92Å; F104-T108 PolarHBondContact O-OG1 3.48Å; T105-T108 WeakPolarHBondContact O-CB 3.35Å; T105-T108 PolarHBondContact O-N 3.28Å; F106-T108 VanDerWaalsContact C-N 3.34Å; F106-T108 PolarHBondContact O-N 3.38Å; T108-S111 PolarHBondContact O-N 3.26Å; T108-T112 PolarHBondContact O-N 2.93Å; T108-T112 PolarHBondContact O-OG1 2.97Å; T108-Y191 HydrophobicContact CG2-CD2 3.9Å; T108-Y191 HydrophobicContact CG2-CE2 3.35Å |
| 109 | D | 96.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 175.1 | -69.2 | -18.1 | 0 | 0 | 0 | 111.2 | T105 F106 S111 T112 W113 L152 N156 | T105-D109 PolarHBondContact O-N 2.99Å; F106-D109 PolarHBondContact O-N 3.32Å; D109-S111 VanDerWaalsContact C-N 3.27Å; D109-S111 PolarHBondContact O-N 2.97Å; D109-T112 PolarHBondContact O-N 3.46Å; D109-T112 VanDerWaalsContact O-N 3.1Å; D109-W113 PolarHBondContact O-N 2.91Å; D109-L152 HydrophobicContact CB-CD1 4Å; D109-L152 HydrophobicContact CB-CD2 4.08Å; D109-N156 PolarHBondContact OD2-ND2 3.48Å |
| 110 | L | 97.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 4% | 0.042 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | -178.9 | -179.3 | 58.4 | 0 | 0 | 0 | 111.4 | T67 F106 T112 W113 I114 L145 V148 V149 L152 | T67-L110 HydrophobicContact CG2-CB 4.45Å; T67-L110 HydrophobicContact CG2-CD2 3.7Å; T67-L110 HydrophobicContact CG2-CG 4.07Å; F106-L110 HydrophobicContact CE1-CD2 4.02Å; F106-L110 HydrophobicContact CE2-CD2 4.48Å; F106-L110 HydrophobicContact CZ-CD2 3.74Å; F106-L110 WeakPolarHBondContact O-CB 3.38Å; F106-L110 PolarHBondContact O-N 2.97Å; L110-T112 PolarHBondContact O-N 3.19Å; L110-W113 PolarHBondContact O-N 2.98Å; L110-I114 HydrophobicContact CD1-CD1 4.17Å; L110-I114 HydrophobicContact CD1-CG1 4.17Å; L110-I114 HydrophobicContact CG-CD1 3.98Å; L110-I114 HydrophobicContact CG-CG1 4.46Å; L110-I114 WeakPolarHBondContact O-CD1 3.15Å; L110-I114 WeakPolarHBondContact O-CG1 3.34Å; L110-I114 PolarHBondContact O-N 2.89Å; L110-L145 HydrophobicContact CD1-CD1 4.27Å; L110-V148 HydrophobicContact CD1-CG1 4.09Å; L110-V149 HydrophobicContact CD1-CG2 3.79Å; L110-V149 HydrophobicContact CD2-CG2 4.03Å; L110-L152 HydrophobicContact CB-CD1 4.15Å; L110-L152 HydrophobicContact CD1-CD1 4.26Å |
| 111 | S | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.014 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | D68 S107 T108 D109 W113 I114 I115 | D68-S111 WeakPolarHBondContact OD1-CB 3.15Å; D68-S111 PolarHBondContact OD1-OG 2.82Å; S107-S111 PolarHBondContact O-N 3.08Å; T108-S111 PolarHBondContact O-N 3.26Å; D109-S111 VanDerWaalsContact C-N 3.27Å; D109-S111 PolarHBondContact O-N 2.97Å; S111-W113 PolarHBondContact O-N 3.28Å; S111-I114 PolarHBondContact O-N 2.96Å; S111-I115 PolarHBondContact O-N 3.38Å |
| 112 | T | 95 | Very high | 94.9 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | T108 D109 L110 I114 I115 I116 P195 H263 | T108-T112 PolarHBondContact O-N 2.93Å; T108-T112 PolarHBondContact O-OG1 2.97Å; D109-T112 PolarHBondContact O-N 3.46Å; D109-T112 VanDerWaalsContact O-N 3.1Å; L110-T112 PolarHBondContact O-N 3.19Å; T112-I114 VanDerWaalsContact C-N 3.3Å; T112-I114 PolarHBondContact O-N 3.38Å; T112-I115 VanDerWaalsContact O-CB 3.31Å; T112-I115 WeakPolarHBondContact O-CB 3.47Å; T112-I115 PolarHBondContact O-N 3.03Å; T112-I115 VanDerWaalsContact O-N 3.11Å; T112-I116 PolarHBondContact O-N 2.92Å; T112-P195 HydrophobicContact CG2-CB 3.61Å; T112-P195 HydrophobicContact CG2-CG 3.65Å; T112-H263 PolarHBondContact OG1-CE1 3.35Å |
| 113 | W | 97.4 | Very high | 94.6 | Very high | 59 Ų | 59 | 15.3 Ų | 15.3 | 22% | 0.223 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.1 | -23.5 | -178.8 | -79.1 | 74.4 | 0 | 0 | 0 | 113 | D109 L110 S111 I115 I116 L117 V148 L152 I190 I194 | D109-W113 PolarHBondContact O-N 2.91Å; L110-W113 PolarHBondContact O-N 2.98Å; S111-W113 PolarHBondContact O-N 3.28Å; W113-I115 VanDerWaalsContact C-N 3.29Å; W113-I115 PolarHBondContact O-N 3.47Å; W113-I116 HydrophobicContact CD2-CD1 3.93Å; W113-I116 HydrophobicContact CE3-CD1 3.96Å; W113-I116 HydrophobicContact CG-CD1 4.28Å; W113-I116 HydrophobicContact CZ3-CD1 4.38Å; W113-I116 WeakPolarHBondContact O-CB 3.46Å; W113-I116 PolarHBondContact O-N 3.05Å; W113-L117 PolarHBondContact O-N 2.72Å; W113-V148 HydrophobicContact CB-CG1 3.75Å; W113-V148 HydrophobicContact CG-CG1 4.42Å; W113-L152 HydrophobicContact CB-CD1 3.94Å; W113-L152 HydrophobicContact CD2-CD2 4.39Å; W113-L152 HydrophobicContact CG-CD1 3.9Å; W113-L152 HydrophobicContact CG-CD2 4.31Å; W113-I190 HydrophobicContact CZ2-CG2 4.36Å; W113-I190 PolarHBondContact NE1-O 3.31Å; W113-I194 HydrophobicContact CH2-CG2 4.38Å; W113-I194 HydrophobicContact CZ2-CG2 4.39Å |
| 114 | I | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.7 | -35.2 | 168.8 | -71.7 | 163.7 | 0 | 0 | 0 | 111.2 | L60 I63 M64 L110 S111 T112 I116 L117 L118 L145 | L60-I114 HydrophobicContact CB-CG2 3.94Å; L60-I114 HydrophobicContact CD2-CG2 4.45Å; L60-I114 WeakPolarHBondContact O-CG2 3.33Å; I63-I114 HydrophobicContact CB-CD1 4.36Å; I63-I114 HydrophobicContact CG2-CD1 3.86Å; M64-I114 HydrophobicContact CB-CB 4.32Å; M64-I114 HydrophobicContact CB-CD1 4.08Å; M64-I114 HydrophobicContact CB-CG2 3.85Å; M64-I114 HydrophobicContact CG-CB 4.37Å; M64-I114 HydrophobicContact CG-CG2 4.25Å; M64-I114 HydrophobicContact SD-CB 4.4Å; M64-I114 HydrophobicContact SD-CG2 4.09Å; L110-I114 HydrophobicContact CD1-CD1 4.17Å; L110-I114 HydrophobicContact CD1-CG1 4.17Å; L110-I114 HydrophobicContact CG-CD1 3.98Å; L110-I114 HydrophobicContact CG-CG1 4.46Å; L110-I114 WeakPolarHBondContact O-CD1 3.15Å; L110-I114 WeakPolarHBondContact O-CG1 3.34Å; L110-I114 PolarHBondContact O-N 2.89Å; S111-I114 PolarHBondContact O-N 2.96Å; T112-I114 VanDerWaalsContact C-N 3.3Å; T112-I114 PolarHBondContact O-N 3.38Å; I114-I116 VanDerWaalsContact C-N 3.28Å; I114-I116 PolarHBondContact O-N 3.08Å; I114-L117 PolarHBondContact O-N 2.6Å; I114-L118 HydrophobicContact CG2-CD1 4.28Å; I114-L118 HydrophobicContact CG2-CG 4.46Å; I114-L118 WeakPolarHBondContact O-CG 3.43Å; I114-L118 PolarHBondContact O-N 2.99Å; I114-L145 HydrophobicContact CD1-CD1 4.41Å; I114-L145 HydrophobicContact CG1-CD1 4.11Å |
| 115 | I | 94.2 | Very high | 94 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 172.7 | -57.3 | 173.9 | 0 | 0 | 0 | 110.2 | M64 S111 T112 W113 L118 C119 I199 V256 M259 | M64-I115 HydrophobicContact SD-CD1 4.5Å; M64-I115 HydrophobicContact SD-CG1 3.75Å; S111-I115 PolarHBondContact O-N 3.38Å; T112-I115 VanDerWaalsContact O-CB 3.31Å; T112-I115 WeakPolarHBondContact O-CB 3.47Å; T112-I115 PolarHBondContact O-N 3.03Å; T112-I115 VanDerWaalsContact O-N 3.11Å; W113-I115 VanDerWaalsContact C-N 3.29Å; W113-I115 PolarHBondContact O-N 3.47Å; I115-L118 WeakPolarHBondContact O-CB 3.45Å; I115-L118 PolarHBondContact O-N 2.87Å; I115-C119 PolarHBondContact O-N 2.93Å; I115-C119 PolarHBondContact O-SG 3.13Å; I115-I199 HydrophobicContact CB-CD1 4.42Å; I115-I199 HydrophobicContact CG2-CD1 3.85Å; I115-I199 HydrophobicContact CG2-CG1 4.49Å; I115-V256 HydrophobicContact CG2-CG1 4.48Å; I115-M259 HydrophobicContact CD1-CB 4.39Å |
| 116 | I | 95.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 15 Ų | 15 | 3% | 0.026 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 174 | -65.6 | 172.5 | 0 | 0 | 0 | 111 | T112 W113 I114 L118 C119 I120 P195 F198 I199 | T112-I116 PolarHBondContact O-N 2.92Å; W113-I116 HydrophobicContact CD2-CD1 3.93Å; W113-I116 HydrophobicContact CE3-CD1 3.96Å; W113-I116 HydrophobicContact CG-CD1 4.28Å; W113-I116 HydrophobicContact CZ3-CD1 4.38Å; W113-I116 WeakPolarHBondContact O-CB 3.46Å; W113-I116 PolarHBondContact O-N 3.05Å; I114-I116 VanDerWaalsContact C-N 3.28Å; I114-I116 PolarHBondContact O-N 3.08Å; I116-L118 VanDerWaalsContact C-N 3.28Å; I116-L118 PolarHBondContact O-N 3.3Å; I116-C119 WeakPolarHBondContact O-CA 3.19Å; I116-C119 VanDerWaalsContact O-CB 3.31Å; I116-C119 WeakPolarHBondContact O-CB 3.2Å; I116-C119 PolarHBondContact O-N 3.48Å; I116-C119 VanDerWaalsContact O-N 3.08Å; I116-I120 HydrophobicContact CG2-CD1 3.86Å; I116-I120 HydrophobicContact CG2-CG1 4.29Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 3.5Å; I116-P195 HydrophobicContact CD1-CB 3.96Å; I116-P195 HydrophobicContact CD1-CG 4.07Å; I116-P195 HydrophobicContact CG1-CB 4.48Å; I116-F198 HydrophobicContact CB-CD1 4.39Å; I116-F198 HydrophobicContact CG1-CD1 4.38Å; I116-F198 HydrophobicContact CG2-CD1 3.46Å; I116-F198 VanDerWaalsContact CG2-CD1 3.46Å; I116-F198 HydrophobicContact CG2-CE1 3.5Å; I116-F198 VanDerWaalsContact CG2-CE1 3.5Å; I116-F198 HydrophobicContact CG2-CG 4.17Å; I116-F198 HydrophobicContact CG2-CZ 4.24Å; I116-I199 HydrophobicContact CG1-CD1 4.24Å; I116-I199 HydrophobicContact CG1-CG1 3.98Å |
| 117 | L | 95.8 | Very high | 93 | Very high | 16 Ų | 16 | 18.1 Ų | 18.1 | 8% | 0.084 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 177.7 | -69.3 | -179.7 | 0 | 0 | 0 | 112 | L60 W113 I114 I120 E121 A144 L145 V148 | L60-L117 HydrophobicContact CD1-CB 3.99Å; L60-L117 HydrophobicContact CD2-CB 4.22Å; L60-L117 HydrophobicContact CD2-CD1 3.87Å; W113-L117 PolarHBondContact O-N 2.72Å; I114-L117 PolarHBondContact O-N 2.6Å; L117-I120 PolarHBondContact O-N 2.82Å; L117-E121 WeakPolarHBondContact O-CB 3.23Å; L117-E121 PolarHBondContact O-N 3.13Å; L117-A144 HydrophobicContact CD2-CB 3.93Å; L117-L145 HydrophobicContact CD1-CB 4.29Å; L117-L145 HydrophobicContact CD1-CD1 4.15Å; L117-V148 HydrophobicContact CD1-CB 4.34Å; L117-V148 HydrophobicContact CD1-CG2 4.05Å; L117-V148 HydrophobicContact CD2-CG2 3.91Å; L117-V148 HydrophobicContact CG-CG2 4.17Å |
| 118 | L | 93.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 173.9 | -71.2 | 168.6 | 0 | 0 | 0 | 111.2 | T57 L60 I61 I114 I115 I116 E121 R122 V256 | T57-L118 HydrophobicContact CG2-CD2 3.91Å; L60-L118 HydrophobicContact CB-CD2 3.79Å; L60-L118 HydrophobicContact CB-CG 4.18Å; L60-L118 HydrophobicContact CD1-CD2 3.88Å; L60-L118 HydrophobicContact CD1-CG 4.22Å; I61-L118 HydrophobicContact CG1-CD1 3.88Å; I61-L118 HydrophobicContact CG1-CD2 4.12Å; I114-L118 HydrophobicContact CG2-CD1 4.28Å; I114-L118 HydrophobicContact CG2-CG 4.46Å; I114-L118 WeakPolarHBondContact O-CG 3.43Å; I114-L118 PolarHBondContact O-N 2.99Å; I115-L118 WeakPolarHBondContact O-CB 3.45Å; I115-L118 PolarHBondContact O-N 2.87Å; I116-L118 VanDerWaalsContact C-N 3.28Å; I116-L118 PolarHBondContact O-N 3.3Å; L118-E121 PolarHBondContact O-N 3.46Å; L118-R122 VanDerWaalsContact O-CG 3.29Å; L118-R122 WeakPolarHBondContact O-CG 3.44Å; L118-R122 PolarHBondContact O-N 3.21Å; L118-V256 HydrophobicContact CB-CG2 4.18Å |
| 119 | C | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 175 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | I115 I116 R122 A123 V202 V256 | I115-C119 PolarHBondContact O-N 2.93Å; I115-C119 PolarHBondContact O-SG 3.13Å; I116-C119 WeakPolarHBondContact O-CA 3.19Å; I116-C119 VanDerWaalsContact O-CB 3.31Å; I116-C119 WeakPolarHBondContact O-CB 3.2Å; I116-C119 PolarHBondContact O-N 3.48Å; I116-C119 VanDerWaalsContact O-N 3.08Å; C119-R122 PolarHBondContact O-N 2.99Å; C119-A123 PolarHBondContact O-N 2.89Å; C119-V202 HydrophobicContact CB-CB 4.2Å; C119-V202 HydrophobicContact CB-CG1 3.71Å; C119-V202 WeakPolarHBondContact O-CG1 3.36Å; C119-V256 WeakPolarHBondContact SG-CG1 3.4Å |
| 120 | I | 93 | Very high | 90.6 | Very high | 65 Ų | 65 | 29.2 Ų | 29.2 | 33% | 0.333 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.4 | -49.9 | 179.3 | -65 | 172.9 | 0 | 0 | 0 | 110.3 | I116 L117 R122 A123 V124 F198 | I116-I120 HydrophobicContact CG2-CD1 3.86Å; I116-I120 HydrophobicContact CG2-CG1 4.29Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 3.5Å; L117-I120 PolarHBondContact O-N 2.82Å; I120-R122 PolarHBondContact O-N 3.21Å; I120-A123 PolarHBondContact O-N 3.43Å; I120-A123 VanDerWaalsContact O-N 3.12Å; I120-V124 HydrophobicContact CG2-CG2 4.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.35Å; I120-V124 PolarHBondContact O-N 3.35Å; I120-F198 HydrophobicContact CD1-CE1 3.71Å; I120-F198 HydrophobicContact CD1-CZ 3.55Å; I120-F198 HydrophobicContact CG1-CE1 3.4Å; I120-F198 HydrophobicContact CG1-CZ 3.55Å |
| 121 | E | 91.6 | Very high | 89.8 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.9 | -43.9 | 179.2 | -165.2 | -166.8 | -178.6 | 0 | 0 | 110.1 | G55 S56 T57 L117 L118 V124 C125 | G55-E121 WeakPolarHBondContact CA-OE1 3.45Å; S56-E121 PolarHBondContact N-OE1 3.27Å; S56-E121 VanDerWaalsContact OG-CD 3.24Å; S56-E121 PolarHBondContact OG-OE1 3.1Å; T57-E121 PolarHBondContact N-OE2 2.94Å; T57-E121 PolarHBondContact OG1-OE2 3.34Å; L117-E121 WeakPolarHBondContact O-CB 3.23Å; L117-E121 PolarHBondContact O-N 3.13Å; L118-E121 PolarHBondContact O-N 3.46Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-C125 PolarHBondContact O-N 3.08Å; E121-C125 PolarHBondContact O-SG 3.38Å |
| 122 | R | 87.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 3% | 0.034 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 176.6 | -69.5 | -42.5 | 94.4 | -171.4 | -3.7 | 112.5 | T57 L118 C119 I120 V124 C125 V126 I206 V252 | T57-R122 PolarHBondContact OG1-NH2 3.23Å; L118-R122 VanDerWaalsContact O-CG 3.29Å; L118-R122 WeakPolarHBondContact O-CG 3.44Å; L118-R122 PolarHBondContact O-N 3.21Å; C119-R122 PolarHBondContact O-N 2.99Å; I120-R122 PolarHBondContact O-N 3.21Å; R122-V124 PolarHBondContact O-N 3.46Å; R122-C125 PolarHBondContact O-N 3.02Å; R122-V126 WeakPolarHBondContact O-CB 3.31Å; R122-V126 WeakPolarHBondContact O-CG2 3.34Å; R122-V126 PolarHBondContact O-N 2.87Å; R122-I206 HydrophobicContact CB-CD1 3.78Å; R122-V252 HydrophobicContact CG-CG1 4.01Å |
| 123 | A | 89.8 | Confident | 88 | Confident | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | C119 I120 C125 V126 W127 V202 I206 | C119-A123 PolarHBondContact O-N 2.89Å; I120-A123 PolarHBondContact O-N 3.43Å; I120-A123 VanDerWaalsContact O-N 3.12Å; A123-C125 VanDerWaalsContact C-N 3.33Å; A123-C125 PolarHBondContact O-N 2.93Å; A123-V126 PolarHBondContact O-N 3.48Å; A123-V126 VanDerWaalsContact O-N 3.1Å; A123-W127 WeakPolarHBondContact O-CB 3.35Å; A123-W127 PolarHBondContact O-N 2.72Å; A123-V202 HydrophobicContact CB-CG1 3.73Å; A123-I206 HydrophobicContact CB-CD1 4.33Å; A123-I206 HydrophobicContact CB-CG1 4.12Å |
| 124 | V | 90 | Very high | 87.2 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 29% | 0.291 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.3 | -48.5 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | I120 E121 R122 V126 W127 T128 W135 | I120-V124 HydrophobicContact CG2-CG2 4.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.35Å; I120-V124 PolarHBondContact O-N 3.35Å; E121-V124 PolarHBondContact O-N 2.88Å; R122-V124 PolarHBondContact O-N 3.46Å; V124-V126 VanDerWaalsContact C-N 3.29Å; V124-V126 PolarHBondContact O-N 3.35Å; V124-W127 PolarHBondContact O-N 3.25Å; V124-T128 WeakPolarHBondContact O-CB 3.36Å; V124-T128 PolarHBondContact O-N 3.4Å; V124-T128 PolarHBondContact O-OG1 3.32Å; V124-W135 HydrophobicContact CG1-CB 3.55Å; V124-W135 HydrophobicContact CG1-CG 4.25Å |
| 125 | C | 86.8 | Confident | 86.6 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.054 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -29.3 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | E121 R122 A123 C136 R245 | E121-C125 PolarHBondContact O-N 3.08Å; E121-C125 PolarHBondContact O-SG 3.38Å; R122-C125 PolarHBondContact O-N 3.02Å; A123-C125 VanDerWaalsContact C-N 3.33Å; A123-C125 PolarHBondContact O-N 2.93Å; C125-C136 WeakPolarHBondContact CA-SG 3.25Å; C125-C136 HydrophobicContact CB-CB 4.48Å; C125-C136 WeakPolarHBondContact CB-SG 3.18Å; C125-C136 PolarHBondContact N-SG 3.02Å; C125-C136 VanDerWaalsContact N-SG 3.45Å; C125-C136 WeakPolarHBondContact SG-CB 3.18Å; C125-C136 CovalentContact SG-SG 2.04Å; C125-C136 PolarHBondContact SG-SG 2.98Å; C125-R245 PolarHBondContact O-NE 3.03Å; C125-R245 PolarHBondContact O-NH2 3.35Å |
| 126 | V | 84.2 | Confident | 86.2 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -80.1 | -44.1 | 179.1 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | R122 A123 V124 I206 R209 M210 R245 | R122-V126 WeakPolarHBondContact O-CB 3.31Å; R122-V126 WeakPolarHBondContact O-CG2 3.34Å; R122-V126 PolarHBondContact O-N 2.87Å; A123-V126 PolarHBondContact O-N 3.48Å; A123-V126 VanDerWaalsContact O-N 3.1Å; V124-V126 VanDerWaalsContact C-N 3.29Å; V124-V126 PolarHBondContact O-N 3.35Å; V126-I206 HydrophobicContact CG2-CG2 4.19Å; V126-R209 HydrophobicContact CG1-CB 3.82Å; V126-R209 HydrophobicContact CG1-CG 3.58Å; V126-M210 HydrophobicContact CG1-CG 4.37Å; V126-R245 PolarHBondContact O-NH2 2.91Å |
| 127 | W | 87 | Confident | 86 | Confident | 95 Ų | 95 | 57.7 Ų | 57.7 | 36% | 0.36 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.3 | -25.6 | -176.3 | -78.6 | 85.5 | 0 | 0 | 0 | 114.4 | A123 V124 P129 S205 W208 R209 | A123-W127 WeakPolarHBondContact O-CB 3.35Å; A123-W127 PolarHBondContact O-N 2.72Å; V124-W127 PolarHBondContact O-N 3.25Å; W127-P129 WeakPolarHBondContact O-CD 3.27Å; W127-S205 VanDerWaalsContact CE2-OG 3.23Å; W127-S205 WeakPolarHBondContact CZ2-OG 3.48Å; W127-S205 PolarHBondContact NE1-OG 3.16Å; W127-W208 AromaticContact CH2-CE3 3.66Å; W127-W208 HydrophobicContact CH2-CE3 3.66Å; W127-W208 HydrophobicContact CH2-CH2 4.27Å; W127-W208 AromaticContact CH2-CZ3 3.2Å; W127-W208 HydrophobicContact CH2-CZ3 3.2Å; W127-W208 AromaticContact CZ2-CE3 3.7Å; W127-W208 HydrophobicContact CZ2-CE3 3.7Å; W127-W208 AromaticContact CZ2-CZ3 3.76Å; W127-W208 HydrophobicContact CZ2-CZ3 3.76Å; W127-W208 AromaticContact CZ3-CZ3 3.93Å; W127-W208 HydrophobicContact CZ3-CZ3 3.93Å; W127-R209 HydrophobicContact CD2-CB 4.47Å; W127-R209 HydrophobicContact CD2-CG 4.29Å; W127-R209 HydrophobicContact CG-CG 4.47Å; W127-R209 HydrophobicContact CZ2-CB 4.29Å; W127-R209 PolarHBondContact O-NH1 2.89Å |
| 128 | T | 85.6 | Confident | 85.8 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | trans | -111.1 | 61.1 | -177.9 | 66 | 0 | 0 | 0 | 0 | 112.9 | V124 I130 K131 F132 | V124-T128 WeakPolarHBondContact O-CB 3.36Å; V124-T128 PolarHBondContact O-N 3.4Å; V124-T128 PolarHBondContact O-OG1 3.32Å; T128-I130 VanDerWaalsContact C-N 3.26Å; T128-I130 PolarHBondContact O-N 2.73Å; T128-I130 VanDerWaalsContact O-N 3.09Å; T128-K131 CarbonylContact O-C 3.56Å; T128-K131 PolarHBondContact O-N 3.16Å; T128-K131 VanDerWaalsContact O-N 3.15Å; T128-F132 WeakPolarHBondContact O-CA 3.38Å; T128-F132 WeakPolarHBondContact O-CB 3.43Å; T128-F132 PolarHBondContact O-N 3.38Å | ||
| 129 | P | 76.3 | Confident | 85.9 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.7 | -170.7 | 25.2 | -36.3 | 0 | 0 | 0 | 115 | W127 F132 R245 | W127-P129 WeakPolarHBondContact O-CD 3.27Å; P129-F132 WeakPolarHBondContact O-CD1 3.19Å; P129-R245 VanDerWaalsContact CA-NH1 3.33Å |
| 130 | I | 77.5 | Confident | 86 | Confident | 160 Ų | 160 | 69.2 Ų | 69.2 | 82% | 0.821 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -39 | -177.9 | -61.3 | 164.9 | 0 | 0 | 0 | 110.6 | T128 | T128-I130 VanDerWaalsContact C-N 3.26Å; T128-I130 PolarHBondContact O-N 2.73Å; T128-I130 VanDerWaalsContact O-N 3.09Å |
| 131 | K | 79.1 | Confident | 86.1 | Confident | 121 Ų | 121 | 66.5 Ų | 66.5 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4 | -174.3 | -61.2 | -173.4 | 179.1 | -179.3 | 0 | 113.5 | T128 K133 Q134 W135 | T128-K131 CarbonylContact O-C 3.56Å; T128-K131 PolarHBondContact O-N 3.16Å; T128-K131 VanDerWaalsContact O-N 3.15Å; K131-K133 PolarHBondContact O-N 3.38Å; K131-Q134 WeakPolarHBondContact O-CA 3.11Å; K131-Q134 VanDerWaalsContact O-CB 3.26Å; K131-Q134 WeakPolarHBondContact O-CB 3.28Å; K131-Q134 PolarHBondContact O-N 3.47Å; K131-W135 VanDerWaalsContact O-CD1 3.32Å; K131-W135 PolarHBondContact O-N 3.25Å |
| 132 | F | 78.2 | Confident | 86.4 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 20% | 0.202 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.1 | -35.9 | -171.6 | 87.1 | -85.8 | 0 | 0 | 0 | 113.3 | T128 P129 Q134 W135 C136 | T128-F132 WeakPolarHBondContact O-CA 3.38Å; T128-F132 WeakPolarHBondContact O-CB 3.43Å; T128-F132 PolarHBondContact O-N 3.38Å; P129-F132 WeakPolarHBondContact O-CD1 3.19Å; F132-Q134 PolarHBondContact O-N 2.91Å; F132-W135 PolarHBondContact O-N 3.24Å; F132-C136 WeakPolarHBondContact O-CA 3.24Å; F132-C136 VanDerWaalsContact O-CB 3.24Å; F132-C136 WeakPolarHBondContact O-CB 3.4Å; F132-C136 PolarHBondContact O-N 2.86Å |
| 133 | K | 75.8 | Confident | 86.9 | Confident | 153 Ų | 153 | 72.9 Ų | 72.9 | 67% | 0.665 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.7 | -23.7 | 176.3 | -69.1 | -171.2 | 177 | -176.2 | 0 | 113.2 | K131 K137 | K131-K133 PolarHBondContact O-N 3.38Å; K133-K137 WeakPolarHBondContact O-CE 3.35Å; K133-K137 VanDerWaalsContact O-CG 3.25Å; K133-K137 WeakPolarHBondContact O-CG 3.37Å |
| 134 | Q | 80.8 | Confident | 87.2 | Confident | 114 Ų | 114 | 73.9 Ų | 73.9 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.8 | -38.2 | 177.1 | -61.6 | 176.1 | -25.6 | 0 | 0 | 111.2 | K131 F132 K137 H140 | K131-Q134 WeakPolarHBondContact O-CA 3.11Å; K131-Q134 VanDerWaalsContact O-CB 3.26Å; K131-Q134 WeakPolarHBondContact O-CB 3.28Å; K131-Q134 PolarHBondContact O-N 3.47Å; F132-Q134 PolarHBondContact O-N 2.91Å; Q134-K137 WeakPolarHBondContact O-CE 3.27Å; Q134-K137 WeakPolarHBondContact O-CG 3.28Å; Q134-H140 PolarHBondContact O-CE1 3.32Å |
| 135 | W | 84 | Confident | 87.6 | Confident | 144 Ų | 144 | 72.5 Ų | 72.5 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -94.5 | -42.7 | -174.2 | -66.3 | 87.3 | 0 | 0 | 0 | 113.7 | V124 K131 F132 K137 H140 | V124-W135 HydrophobicContact CG1-CB 3.55Å; V124-W135 HydrophobicContact CG1-CG 4.25Å; K131-W135 VanDerWaalsContact O-CD1 3.32Å; K131-W135 PolarHBondContact O-N 3.25Å; F132-W135 PolarHBondContact O-N 3.24Å; W135-K137 PolarHBondContact O-N 2.88Å; W135-H140 PolarHBondContact O-ND1 3.42Å |
| 136 | C | 86.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.034 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -83.1 | 58.9 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | G55 C125 F132 | G55-C136 WeakPolarHBondContact CA-O 3.4Å; G55-C136 PolarHBondContact N-O 3.5Å; C125-C136 WeakPolarHBondContact CA-SG 3.25Å; C125-C136 HydrophobicContact CB-CB 4.48Å; C125-C136 WeakPolarHBondContact CB-SG 3.18Å; C125-C136 PolarHBondContact N-SG 3.02Å; C125-C136 VanDerWaalsContact N-SG 3.45Å; C125-C136 WeakPolarHBondContact SG-CB 3.18Å; C125-C136 CovalentContact SG-SG 2.04Å; C125-C136 PolarHBondContact SG-SG 2.98Å; F132-C136 WeakPolarHBondContact O-CA 3.24Å; F132-C136 VanDerWaalsContact O-CB 3.24Å; F132-C136 WeakPolarHBondContact O-CB 3.4Å; F132-C136 PolarHBondContact O-N 2.86Å |
| 137 | K | 90 | Very high | 88.9 | Confident | 91 Ų | 91 | 82.5 Ų | 82.5 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | trans | -105.9 | 159.7 | 173.7 | -53 | -177.2 | 176.2 | -176.4 | 0 | 111.3 | K133 Q134 W135 E139 H140 G141 | K133-K137 WeakPolarHBondContact O-CE 3.35Å; K133-K137 VanDerWaalsContact O-CG 3.25Å; K133-K137 WeakPolarHBondContact O-CG 3.37Å; Q134-K137 WeakPolarHBondContact O-CE 3.27Å; Q134-K137 WeakPolarHBondContact O-CG 3.28Å; W135-K137 PolarHBondContact O-N 2.88Å; K137-E139 VanDerWaalsContact C-N 3.3Å; K137-E139 WeakPolarHBondContact CB-OE2 3.37Å; K137-E139 PolarHBondContact O-N 3.2Å; K137-H140 PolarHBondContact O-N 3.11Å; K137-G141 PolarHBondContact O-N 3.47Å | ||
| 138 | L | 92.6 | Very high | 89.4 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 179.8 | 178.5 | 59.4 | 0 | 0 | 0 | 111.8 | L50 L59 H140 G141 I142 | L50-L138 HydrophobicContact CD1-CD1 3.69Å; L50-L138 HydrophobicContact CD1-CD2 3.95Å; L50-L138 HydrophobicContact CD1-CG 4.5Å; L50-L138 HydrophobicContact CG-CD2 4.36Å; L59-L138 HydrophobicContact CB-CD1 4.04Å; L59-L138 HydrophobicContact CD2-CD1 3.87Å; L138-H140 PolarHBondContact O-N 3.47Å; L138-G141 PolarHBondContact O-N 3.41Å; L138-G141 VanDerWaalsContact O-N 3.16Å; L138-I142 HydrophobicContact CD1-CD1 4.19Å; L138-I142 HydrophobicContact CD1-CG1 4.27Å; L138-I142 HydrophobicContact CD2-CD1 4.44Å; L138-I142 HydrophobicContact CG-CD1 3.84Å; L138-I142 HydrophobicContact CG-CG1 4.38Å; L138-I142 WeakPolarHBondContact O-CG1 3.32Å; L138-I142 PolarHBondContact O-N 3.48Å |
| 139 | E | 94.5 | Very high | 90 | Very high | 114 Ų | 114 | 78.6 Ų | 78.6 | 53% | 0.533 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | -175.7 | -53.1 | 89.1 | 159.1 | 0 | 0 | 112.2 | K137 G141 I142 T143 | K137-E139 VanDerWaalsContact C-N 3.3Å; K137-E139 WeakPolarHBondContact CB-OE2 3.37Å; K137-E139 PolarHBondContact O-N 3.2Å; E139-G141 VanDerWaalsContact C-N 3.34Å; E139-I142 PolarHBondContact O-N 3.42Å; E139-T143 WeakPolarHBondContact O-CB 3.49Å; E139-T143 PolarHBondContact O-N 3.48Å; E139-T143 PolarHBondContact O-OG1 2.98Å |
| 140 | H | 94.6 | Very high | 91.1 | Very high | 94 Ų | 94 | 81.9 Ų | 81.9 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 175.2 | -62.3 | 112.9 | 0 | 0 | 0 | 111.4 | Q134 W135 K137 L138 T143 A144 | Q134-H140 PolarHBondContact O-CE1 3.32Å; W135-H140 PolarHBondContact O-ND1 3.42Å; K137-H140 PolarHBondContact O-N 3.11Å; L138-H140 PolarHBondContact O-N 3.47Å; H140-T143 PolarHBondContact O-N 3.3Å; H140-A144 WeakPolarHBondContact O-CB 3.46Å; H140-A144 PolarHBondContact O-N 3.01Å |
| 141 | G | 95.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 77 Ų | 77 | 8% | 0.082 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S56 K137 L138 E139 A144 L145 | S56-G141 WeakPolarHBondContact OG-CA 3.41Å; K137-G141 PolarHBondContact O-N 3.47Å; L138-G141 PolarHBondContact O-N 3.41Å; L138-G141 VanDerWaalsContact O-N 3.16Å; E139-G141 VanDerWaalsContact C-N 3.34Å; G141-A144 PolarHBondContact O-N 3.45Å; G141-L145 VanDerWaalsContact O-CB 3.3Å; G141-L145 WeakPolarHBondContact O-CB 3.48Å; G141-L145 PolarHBondContact O-N 2.82Å |
| 142 | I | 97.7 | Very high | 93 | Very high | 66 Ų | 66 | 71.6 Ų | 71.6 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 171.7 | -70.5 | 167.5 | 0 | 0 | 0 | 110.1 | L59 L138 E139 A144 L145 I146 | L59-I142 HydrophobicContact CD2-CD1 4.29Å; L59-I142 HydrophobicContact CD2-CG1 3.43Å; L59-I142 VanDerWaalsContact CD2-CG1 3.43Å; L138-I142 HydrophobicContact CD1-CD1 4.19Å; L138-I142 HydrophobicContact CD1-CG1 4.27Å; L138-I142 HydrophobicContact CD2-CD1 4.44Å; L138-I142 HydrophobicContact CG-CD1 3.84Å; L138-I142 HydrophobicContact CG-CG1 4.38Å; L138-I142 WeakPolarHBondContact O-CG1 3.32Å; L138-I142 PolarHBondContact O-N 3.48Å; E139-I142 PolarHBondContact O-N 3.42Å; I142-A144 VanDerWaalsContact C-N 3.35Å; I142-A144 PolarHBondContact O-N 3.29Å; I142-L145 PolarHBondContact O-N 2.85Å; I142-I146 HydrophobicContact CG2-CD1 3.69Å; I142-I146 HydrophobicContact CG2-CG1 4.32Å; I142-I146 WeakPolarHBondContact O-CG1 3.29Å; I142-I146 PolarHBondContact O-N 2.64Å |
| 143 | T | 98 | Very high | 94 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 58% | 0.577 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | E139 H140 L145 I146 F147 | E139-T143 WeakPolarHBondContact O-CB 3.49Å; E139-T143 PolarHBondContact O-N 3.48Å; E139-T143 PolarHBondContact O-OG1 2.98Å; H140-T143 PolarHBondContact O-N 3.3Å; T143-L145 PolarHBondContact O-N 3.47Å; T143-I146 PolarHBondContact O-N 3.28Å; T143-F147 WeakPolarHBondContact O-CB 3.36Å; T143-F147 PolarHBondContact O-N 2.87Å |
| 144 | A | 97.8 | Very high | 95 | Very high | 37 Ų | 37 | 65.8 Ų | 65.8 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L117 H140 G141 I142 F147 V148 | L117-A144 HydrophobicContact CD2-CB 3.93Å; H140-A144 WeakPolarHBondContact O-CB 3.46Å; H140-A144 PolarHBondContact O-N 3.01Å; G141-A144 PolarHBondContact O-N 3.45Å; I142-A144 VanDerWaalsContact C-N 3.35Å; I142-A144 PolarHBondContact O-N 3.29Å; A144-F147 PolarHBondContact O-N 2.95Å; A144-V148 WeakPolarHBondContact O-CG2 3.31Å; A144-V148 PolarHBondContact O-N 2.87Å |
| 145 | L | 98.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 62.9 Ų | 62.9 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -47.4 | 175.9 | 178.5 | 63.2 | 0 | 0 | 0 | 111.7 | L59 L60 I63 L110 I114 L117 G141 I142 T143 F147 V148 V149 | L59-L145 HydrophobicContact CD2-CD2 4.49Å; L60-L145 HydrophobicContact CD2-CB 4.22Å; L60-L145 HydrophobicContact CD2-CD1 4.23Å; L60-L145 HydrophobicContact CD2-CD2 4.43Å; I63-L145 HydrophobicContact CG1-CD2 4.22Å; I63-L145 HydrophobicContact CG2-CD2 4.46Å; L110-L145 HydrophobicContact CD1-CD1 4.27Å; I114-L145 HydrophobicContact CD1-CD1 4.41Å; I114-L145 HydrophobicContact CG1-CD1 4.11Å; L117-L145 HydrophobicContact CD1-CB 4.29Å; L117-L145 HydrophobicContact CD1-CD1 4.15Å; G141-L145 VanDerWaalsContact O-CB 3.3Å; G141-L145 WeakPolarHBondContact O-CB 3.48Å; G141-L145 PolarHBondContact O-N 2.82Å; I142-L145 PolarHBondContact O-N 2.85Å; T143-L145 PolarHBondContact O-N 3.47Å; L145-F147 VanDerWaalsContact C-N 3.3Å; L145-F147 PolarHBondContact O-N 3.37Å; L145-V148 PolarHBondContact O-N 3.48Å; L145-V149 HydrophobicContact CD1-CG2 4.24Å; L145-V149 HydrophobicContact CG-CG2 4.43Å; L145-V149 WeakPolarHBondContact O-CB 3.39Å; L145-V149 VanDerWaalsContact O-CG2 3.29Å; L145-V149 WeakPolarHBondContact O-CG2 3.49Å; L145-V149 PolarHBondContact O-N 3.05Å |
| 146 | I | 98.6 | Very high | 96.3 | Very high | 92 Ų | 92 | 56 Ų | 56 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 177.4 | -69.3 | 169.1 | 0 | 0 | 0 | 110.1 | I142 T143 V148 V149 L150 | I142-I146 HydrophobicContact CG2-CD1 3.69Å; I142-I146 HydrophobicContact CG2-CG1 4.32Å; I142-I146 WeakPolarHBondContact O-CG1 3.29Å; I142-I146 PolarHBondContact O-N 2.64Å; T143-I146 PolarHBondContact O-N 3.28Å; I146-V148 PolarHBondContact O-N 3.2Å; I146-V149 PolarHBondContact O-N 3.32Å; I146-L150 HydrophobicContact CG2-CD1 3.98Å; I146-L150 HydrophobicContact CG2-CG 4.35Å; I146-L150 VanDerWaalsContact O-CG 3.32Å; I146-L150 WeakPolarHBondContact O-CG 3.33Å; I146-L150 PolarHBondContact O-N 2.97Å |
| 147 | F | 98.5 | Very high | 96.9 | Very high | 137 Ų | 137 | 58.9 Ų | 58.9 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.6 | -50.4 | 176.2 | 176.6 | -98.5 | 0 | 0 | 0 | 111.9 | T143 A144 L145 V149 L150 C151 | T143-F147 WeakPolarHBondContact O-CB 3.36Å; T143-F147 PolarHBondContact O-N 2.87Å; A144-F147 PolarHBondContact O-N 2.95Å; L145-F147 VanDerWaalsContact C-N 3.3Å; L145-F147 PolarHBondContact O-N 3.37Å; F147-V149 VanDerWaalsContact C-N 3.35Å; F147-V149 PolarHBondContact O-N 3.41Å; F147-L150 PolarHBondContact O-N 3.42Å; F147-C151 PolarHBondContact O-N 3.13Å; F147-C151 PolarHBondContact O-SG 2.94Å; F147-C151 VanDerWaalsContact O-SG 3.34Å |
| 148 | V | 98.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 177.2 | 167.2 | 0 | 0 | 0 | 0 | 111.6 | L110 W113 L117 A144 L145 I146 L150 C151 L152 | L110-V148 HydrophobicContact CD1-CG1 4.09Å; W113-V148 HydrophobicContact CB-CG1 3.75Å; W113-V148 HydrophobicContact CG-CG1 4.42Å; L117-V148 HydrophobicContact CD1-CB 4.34Å; L117-V148 HydrophobicContact CD1-CG2 4.05Å; L117-V148 HydrophobicContact CD2-CG2 3.91Å; L117-V148 HydrophobicContact CG-CG2 4.17Å; A144-V148 WeakPolarHBondContact O-CG2 3.31Å; A144-V148 PolarHBondContact O-N 2.87Å; L145-V148 PolarHBondContact O-N 3.48Å; I146-V148 PolarHBondContact O-N 3.2Å; V148-L150 PolarHBondContact O-N 3.29Å; V148-C151 PolarHBondContact O-N 2.88Å; V148-L152 HydrophobicContact CG1-CD1 3.74Å; V148-L152 HydrophobicContact CG1-CG 4.19Å; V148-L152 WeakPolarHBondContact O-CB 3.43Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3.36Å |
| 149 | V | 98.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 53 Ų | 53 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 177.1 | 163.9 | 0 | 0 | 0 | 0 | 111 | F106 L110 L145 I146 F147 A153 | F106-V149 HydrophobicContact CE2-CG1 4.4Å; F106-V149 HydrophobicContact CZ-CG1 4.06Å; L110-V149 HydrophobicContact CD1-CG2 3.79Å; L110-V149 HydrophobicContact CD2-CG2 4.03Å; L145-V149 HydrophobicContact CD1-CG2 4.24Å; L145-V149 HydrophobicContact CG-CG2 4.43Å; L145-V149 WeakPolarHBondContact O-CB 3.39Å; L145-V149 VanDerWaalsContact O-CG2 3.29Å; L145-V149 WeakPolarHBondContact O-CG2 3.49Å; L145-V149 PolarHBondContact O-N 3.05Å; I146-V149 PolarHBondContact O-N 3.32Å; F147-V149 VanDerWaalsContact C-N 3.35Å; F147-V149 PolarHBondContact O-N 3.41Å; V149-A153 WeakPolarHBondContact O-CB 3.39Å; V149-A153 PolarHBondContact O-N 2.87Å |
| 150 | L | 98.6 | Very high | 97.3 | Very high | 118 Ų | 118 | 50.9 Ų | 50.9 | 62% | 0.618 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.2 | -42.1 | 179.3 | -68.6 | 175 | 0 | 0 | 0 | 111.9 | I146 F147 V148 G154 | I146-L150 HydrophobicContact CG2-CD1 3.98Å; I146-L150 HydrophobicContact CG2-CG 4.35Å; I146-L150 VanDerWaalsContact O-CG 3.32Å; I146-L150 WeakPolarHBondContact O-CG 3.33Å; I146-L150 PolarHBondContact O-N 2.97Å; F147-L150 PolarHBondContact O-N 3.42Å; V148-L150 PolarHBondContact O-N 3.29Å; L150-G154 PolarHBondContact O-N 3.46Å |
| 151 | C | 98.4 | Very high | 97.3 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -50.7 | 176.4 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | F147 V148 A153 G154 V155 | F147-C151 PolarHBondContact O-N 3.13Å; F147-C151 PolarHBondContact O-SG 2.94Å; F147-C151 VanDerWaalsContact O-SG 3.34Å; V148-C151 PolarHBondContact O-N 2.88Å; C151-A153 PolarHBondContact O-N 3.27Å; C151-G154 PolarHBondContact O-N 3.03Å; C151-V155 WeakPolarHBondContact O-CG2 3.44Å; C151-V155 PolarHBondContact O-N 3.34Å |
| 152 | L | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | -178.8 | -67.9 | 179.9 | 0 | 0 | 0 | 112.4 | F106 D109 L110 W113 V148 V155 N156 I190 | F106-L152 HydrophobicContact CD2-CB 4Å; F106-L152 HydrophobicContact CE2-CB 4.07Å; D109-L152 HydrophobicContact CB-CD1 4Å; D109-L152 HydrophobicContact CB-CD2 4.08Å; L110-L152 HydrophobicContact CB-CD1 4.15Å; L110-L152 HydrophobicContact CD1-CD1 4.26Å; W113-L152 HydrophobicContact CB-CD1 3.94Å; W113-L152 HydrophobicContact CD2-CD2 4.39Å; W113-L152 HydrophobicContact CG-CD1 3.9Å; W113-L152 HydrophobicContact CG-CD2 4.31Å; V148-L152 HydrophobicContact CG1-CD1 3.74Å; V148-L152 HydrophobicContact CG1-CG 4.19Å; V148-L152 WeakPolarHBondContact O-CB 3.43Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3.36Å; L152-V155 PolarHBondContact O-N 3.48Å; L152-N156 WeakPolarHBondContact O-CB 3.35Å; L152-N156 PolarHBondContact O-N 3.46Å; L152-N156 PolarHBondContact O-ND2 3.43Å; L152-I190 HydrophobicContact CD2-CG2 4.06Å |
| 153 | A | 98.2 | Very high | 97.1 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F102 F106 V149 C151 V155 N156 I157 | F102-A153 HydrophobicContact CZ-CB 4.44Å; F106-A153 HydrophobicContact CD2-CB 4.31Å; F106-A153 HydrophobicContact CE2-CB 4.08Å; V149-A153 WeakPolarHBondContact O-CB 3.39Å; V149-A153 PolarHBondContact O-N 2.87Å; C151-A153 PolarHBondContact O-N 3.27Å; A153-V155 VanDerWaalsContact C-N 3.32Å; A153-V155 PolarHBondContact O-N 2.95Å; A153-N156 PolarHBondContact O-N 3.04Å; A153-I157 VanDerWaalsContact O-CB 3.23Å; A153-I157 WeakPolarHBondContact O-CB 2.95Å; A153-I157 PolarHBondContact O-N 3.15Å |
| 154 | G | 98 | Very high | 96.9 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 54% | 0.536 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L150 C151 I157 | L150-G154 PolarHBondContact O-N 3.46Å; C151-G154 PolarHBondContact O-N 3.03Å; G154-I157 WeakPolarHBondContact O-CG2 3.38Å |
| 155 | V | 96.3 | Very high | 96.6 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.6 | -46.5 | 174.4 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | C151 L152 A153 H158 W183 I190 | C151-V155 WeakPolarHBondContact O-CG2 3.44Å; C151-V155 PolarHBondContact O-N 3.34Å; L152-V155 PolarHBondContact O-N 3.48Å; A153-V155 VanDerWaalsContact C-N 3.32Å; A153-V155 PolarHBondContact O-N 2.95Å; V155-H158 PolarHBondContact O-CD2 3Å; V155-H158 VanDerWaalsContact O-CD2 3.31Å; V155-W183 HydrophobicContact CG1-CH2 3.72Å; V155-W183 HydrophobicContact CG1-CZ2 4.27Å; V155-W183 WeakPolarHBondContact O-CH2 3.33Å; V155-I190 HydrophobicContact CG1-CD1 3.51Å; V155-I190 HydrophobicContact CG2-CD1 4.37Å |
| 156 | N | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -88.1 | -14 | -171 | -77.8 | -73 | 0 | 0 | 0 | 114.6 | F102 T105 F106 D109 L152 A153 H158 Y159 | F102-N156 HydrophobicContact CD2-CB 3.89Å; F102-N156 WeakPolarHBondContact CD2-O 3.36Å; F102-N156 HydrophobicContact CE2-CB 4.06Å; T105-N156 WeakPolarHBondContact CG2-OD1 3.44Å; F106-N156 HydrophobicContact CB-CB 4.35Å; D109-N156 PolarHBondContact OD2-ND2 3.48Å; L152-N156 WeakPolarHBondContact O-CB 3.35Å; L152-N156 PolarHBondContact O-N 3.46Å; L152-N156 PolarHBondContact O-ND2 3.43Å; A153-N156 PolarHBondContact O-N 3.04Å; N156-H158 PolarHBondContact O-N 3.21Å; N156-Y159 VanDerWaalsContact O-CD2 3.26Å; N156-Y159 WeakPolarHBondContact O-CD2 3.44Å; N156-Y159 PolarHBondContact O-N 2.8Å |
| 157 | I | 97.3 | Very high | 95.4 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.6 | -172.5 | -165.7 | 67.7 | 0 | 0 | 0 | 113.2 | F102 A153 G154 Y159 V160 W161 | F102-I157 HydrophobicContact CD2-CD1 4.28Å; F102-I157 HydrophobicContact CE1-CD1 4.41Å; F102-I157 HydrophobicContact CE2-CB 4.34Å; F102-I157 HydrophobicContact CE2-CD1 4Å; F102-I157 HydrophobicContact CZ-CD1 4.07Å; A153-I157 VanDerWaalsContact O-CB 3.23Å; A153-I157 WeakPolarHBondContact O-CB 2.95Å; A153-I157 PolarHBondContact O-N 3.15Å; G154-I157 WeakPolarHBondContact O-CG2 3.38Å; I157-Y159 PolarHBondContact O-N 3.38Å; I157-Y159 VanDerWaalsContact O-N 3.08Å; I157-V160 HydrophobicContact CD1-CG2 3.87Å; I157-V160 HydrophobicContact CG1-CG2 4.46Å; I157-V160 WeakPolarHBondContact O-CB 2.91Å; I157-V160 WeakPolarHBondContact O-CG2 3.33Å; I157-V160 PolarHBondContact O-N 2.87Å; I157-W161 HydrophobicContact CB-CZ3 4.26Å; I157-W161 HydrophobicContact CG1-CZ3 3.97Å; I157-W161 HydrophobicContact CG2-CH2 3.76Å; I157-W161 HydrophobicContact CG2-CZ3 3.8Å; I157-W161 VanDerWaalsContact O-CZ3 3.22Å; I157-W161 WeakPolarHBondContact O-CZ3 3.22Å |
| 158 | H | 96 | Very high | 94.7 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -30.7 | 179.5 | 80 | 74.9 | 0 | 0 | 0 | 113.7 | V155 N156 V160 W161 T162 F179 W183 | V155-H158 PolarHBondContact O-CD2 3Å; V155-H158 VanDerWaalsContact O-CD2 3.31Å; N156-H158 PolarHBondContact O-N 3.21Å; H158-V160 PolarHBondContact O-N 3.21Å; H158-W161 VanDerWaalsContact CA-CH2 3.42Å; H158-W161 VanDerWaalsContact CA-CZ2 3.46Å; H158-W161 HydrophobicContact CB-CH2 4.01Å; H158-W161 HydrophobicContact CB-CZ2 3.68Å; H158-W161 PolarHBondContact O-N 3.25Å; H158-T162 HydrophobicContact CB-CG2 4.12Å; H158-T162 PolarHBondContact ND1-OG1 3.36Å; H158-T162 WeakPolarHBondContact O-CG2 3.07Å; H158-T162 PolarHBondContact O-N 3.42Å; H158-T162 PolarHBondContact O-OG1 3.35Å; H158-T162 VanDerWaalsContact O-OG1 3.1Å; H158-F179 AromaticContact CE1-CE1 3.64Å; H158-F179 AromaticContact CG-CE1 3.84Å; H158-F179 AromaticContact CG-CZ 3.9Å; H158-F179 AromaticContact ND1-CE1 3.47Å; H158-F179 WeakPolarHBondContact ND1-CE1 3.43Å; H158-W183 AromaticContact CD2-CH2 3.58Å; H158-W183 AromaticContact CD2-CZ2 3.68Å; H158-W183 AromaticContact CD2-CZ3 3.96Å; H158-W183 AromaticContact CE1-CE2 3.94Å; H158-W183 AromaticContact NE2-CD2 3.61Å; H158-W183 AromaticContact NE2-CE2 3.14Å; H158-W183 AromaticContact NE2-CE3 3.99Å; H158-W183 AromaticContact NE2-CH2 3.49Å; H158-W183 WeakPolarHBondContact NE2-CH2 3.2Å; H158-W183 AromaticContact NE2-CZ2 3.09Å; H158-W183 WeakPolarHBondContact NE2-CZ2 3.35Å; H158-W183 AromaticContact NE2-CZ3 3.93Å; H158-W183 AromaticContact NE2-NE1 3.65Å |
| 159 | Y | 95.2 | Very high | 94 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56 | -28.3 | 179.1 | -75.1 | -63 | 0 | 0 | 0 | 112.8 | L3 I5 G98 L101 T105 N156 I157 W161 V163 W183 | L3-Y159 HydrophobicContact CD1-CE1 4Å; I5-Y159 HydrophobicContact CD1-CE1 4.4Å; G98-Y159 WeakPolarHBondContact CA-O 3.02Å; L101-Y159 HydrophobicContact CB-CD1 4.16Å; L101-Y159 HydrophobicContact CB-CG 4.06Å; L101-Y159 HydrophobicContact CD2-CD1 3.78Å; L101-Y159 HydrophobicContact CD2-CE1 4.21Å; T105-Y159 HydrophobicContact CG2-CE2 4.08Å; N156-Y159 VanDerWaalsContact O-CD2 3.26Å; N156-Y159 WeakPolarHBondContact O-CD2 3.44Å; N156-Y159 PolarHBondContact O-N 2.8Å; I157-Y159 PolarHBondContact O-N 3.38Å; I157-Y159 VanDerWaalsContact O-N 3.08Å; Y159-W161 VanDerWaalsContact C-N 3.26Å; Y159-W161 PolarHBondContact O-N 3.05Å; Y159-V163 HydrophobicContact CD1-CG2 3.98Å; Y159-W183 AromaticContact CZ-NE1 3.6Å; Y159-W183 PolarHBondContact OH-NE1 3.03Å |
| 160 | V | 95.5 | Very high | 93.5 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.3 | -33.7 | 179.3 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | F102 I157 H158 | F102-V160 HydrophobicContact CB-CG2 4.18Å; F102-V160 HydrophobicContact CG-CG2 4.38Å; I157-V160 HydrophobicContact CD1-CG2 3.87Å; I157-V160 HydrophobicContact CG1-CG2 4.46Å; I157-V160 WeakPolarHBondContact O-CB 2.91Å; I157-V160 WeakPolarHBondContact O-CG2 3.33Å; I157-V160 PolarHBondContact O-N 2.87Å; H158-V160 PolarHBondContact O-N 3.21Å |
| 161 | W | 95.1 | Very high | 93.1 | Very high | 114 Ų | 114 | 45.8 Ų | 45.8 | 43% | 0.432 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -116.7 | -19 | -178.2 | 68.2 | 88 | 0 | 0 | 0 | 114.7 | I157 H158 Y159 K173 Y176 | I157-W161 HydrophobicContact CB-CZ3 4.26Å; I157-W161 HydrophobicContact CG1-CZ3 3.97Å; I157-W161 HydrophobicContact CG2-CH2 3.76Å; I157-W161 HydrophobicContact CG2-CZ3 3.8Å; I157-W161 VanDerWaalsContact O-CZ3 3.22Å; I157-W161 WeakPolarHBondContact O-CZ3 3.22Å; H158-W161 VanDerWaalsContact CA-CH2 3.42Å; H158-W161 VanDerWaalsContact CA-CZ2 3.46Å; H158-W161 HydrophobicContact CB-CH2 4.01Å; H158-W161 HydrophobicContact CB-CZ2 3.68Å; H158-W161 PolarHBondContact O-N 3.25Å; Y159-W161 VanDerWaalsContact C-N 3.26Å; Y159-W161 PolarHBondContact O-N 3.05Å; W161-K173 VanDerWaalsContact O-CD 3.32Å; W161-K173 WeakPolarHBondContact O-CD 3.29Å; W161-K173 WeakPolarHBondContact O-CE 3.16Å; W161-K173 PolarHBondContact O-NZ 3.39Å; W161-Y176 AromaticContact CD1-CE2 3.91Å; W161-Y176 AromaticContact CD1-CZ 3.85Å |
| 162 | T | 95.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -88.9 | -9.7 | -176.4 | 68.8 | 0 | 0 | 0 | 0 | 114.6 | H158 K173 Y176 H180 | H158-T162 HydrophobicContact CB-CG2 4.12Å; H158-T162 PolarHBondContact ND1-OG1 3.36Å; H158-T162 WeakPolarHBondContact O-CG2 3.07Å; H158-T162 PolarHBondContact O-N 3.42Å; H158-T162 PolarHBondContact O-OG1 3.35Å; H158-T162 VanDerWaalsContact O-OG1 3.1Å; T162-K173 PolarHBondContact O-N 2.91Å; T162-Y176 HydrophobicContact CG2-CD1 4.09Å; T162-Y176 HydrophobicContact CG2-CD2 3.8Å; T162-Y176 HydrophobicContact CG2-CE1 4.44Å; T162-Y176 HydrophobicContact CG2-CE2 4.17Å; T162-Y176 HydrophobicContact CG2-CG 3.77Å; T162-H180 VanDerWaalsContact CB-NE2 3.3Å; T162-H180 WeakPolarHBondContact CB-NE2 3.33Å; T162-H180 PolarHBondContact O-NE2 3.23Å; T162-H180 VanDerWaalsContact O-NE2 3.12Å; T162-H180 PolarHBondContact OG1-CE1 2.88Å; T162-H180 VanDerWaalsContact OG1-CE1 3.27Å; T162-H180 PolarHBondContact OG1-NE2 3.05Å |
| 163 | V | 93.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.3 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | I5 C97 L101 Y159 C170 A171 | I5-V163 HydrophobicContact CD1-CG2 3.59Å; I5-V163 HydrophobicContact CG1-CG2 4.38Å; C97-V163 HydrophobicContact CB-CG1 3.97Å; L101-V163 HydrophobicContact CD2-CB 4.15Å; L101-V163 HydrophobicContact CD2-CG1 3.82Å; L101-V163 HydrophobicContact CD2-CG2 3.86Å; Y159-V163 HydrophobicContact CD1-CG2 3.98Å; V163-C170 HydrophobicContact CG1-CB 4.05Å; V163-A171 WeakPolarHBondContact CA-O 3.49Å; V163-A171 WeakPolarHBondContact CG1-O 3.35Å |
| 164 | Y | 92.7 | Very high | 92.2 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 35% | 0.349 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 168.9 | 175.9 | 77.7 | -67 | 0 | 0 | 0 | 111.5 | K166 A171 P172 K173 | Y164-K166 HydrophobicContact CD2-CB 4.48Å; Y164-K166 HydrophobicContact CE1-CB 4.42Å; Y164-K166 HydrophobicContact CE2-CB 3.81Å; Y164-K166 HydrophobicContact CE2-CG 4.2Å; Y164-K166 WeakPolarHBondContact OH-CD 3.26Å; Y164-A171 VanDerWaalsContact CD1-O 3.32Å; Y164-A171 WeakPolarHBondContact CD1-O 3.47Å; Y164-A171 HydrophobicContact CE1-CB 4.2Å; Y164-A171 PolarHBondContact N-O 3.3Å; Y164-A171 PolarHBondContact O-N 3.12Å; Y164-P172 WeakPolarHBondContact CE1-O 3.43Å; Y164-K173 HydrophobicContact CD1-CB 4.24Å; Y164-K173 HydrophobicContact CD1-CG 3.57Å; Y164-K173 HydrophobicContact CE1-CG 4.27Å; Y164-K173 HydrophobicContact CG-CG 4.12Å |
| 165 | V | 91.3 | Very high | 92 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122.4 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | I93 C97 S169 | I93-V165 HydrophobicContact CG2-CG1 3.74Å; I93-V165 HydrophobicContact CG2-CG2 4.1Å; C97-V165 HydrophobicContact CB-CG2 4.46Å; V165-S169 WeakPolarHBondContact CA-O 3.26Å |
| 166 | K | 87 | Confident | 92 | Very high | 80 Ų | 80 | 58 Ų | 58 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.2 | 174.1 | -169.6 | -164.4 | 177.7 | -176.4 | 0 | 108.5 | Y164 N168 S169 A171 | Y164-K166 HydrophobicContact CD2-CB 4.48Å; Y164-K166 HydrophobicContact CE1-CB 4.42Å; Y164-K166 HydrophobicContact CE2-CB 3.81Å; Y164-K166 HydrophobicContact CE2-CG 4.2Å; Y164-K166 WeakPolarHBondContact OH-CD 3.26Å; K166-N168 VanDerWaalsContact C-N 3.27Å; K166-N168 PolarHBondContact O-N 3.44Å; K166-N168 VanDerWaalsContact O-N 3.13Å; K166-S169 PolarHBondContact N-O 2.76Å; K166-S169 CarbonylContact O-C 3.52Å; K166-S169 PolarHBondContact O-N 3.47Å; K166-S169 VanDerWaalsContact O-O 3.06Å; K166-S169 PolarHBondContact O-OG 3.36Å; K166-A171 HydrophobicContact CB-CB 3.59Å; K166-A171 HydrophobicContact CD-CB 4.03Å; K166-A171 HydrophobicContact CG-CB 4.45Å |
| 167 | D | 85.1 | Confident | 91.6 | Very high | 140 Ų | 140 | 61.5 Ų | 61.5 | 75% | 0.749 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 42.5 | 172.6 | -53.3 | -36 | 0 | 0 | 0 | 114.6 | S169 | D167-S169 PolarHBondContact O-N 3.11Š|
| 168 | N | 83.1 | Confident | 91.3 | Very high | 97 Ų | 97 | 62.5 Ų | 62.5 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 29.7 | -176.7 | -160.4 | 55.4 | 0 | 0 | 0 | 113.9 | K88 I93 K166 | K88-N168 PolarHBondContact O-ND2 2.85Å; I93-N168 HydrophobicContact CD1-CB 4.43Å; I93-N168 WeakPolarHBondContact CD1-O 3.38Å; I93-N168 WeakPolarHBondContact CD1-OD1 3.08Å; K166-N168 VanDerWaalsContact C-N 3.27Å; K166-N168 PolarHBondContact O-N 3.44Å; K166-N168 VanDerWaalsContact O-N 3.13Å |
| 169 | S | 84.1 | Confident | 91.2 | Very high | 21 Ų | 21 | 65.7 Ų | 65.7 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 175.7 | 168.5 | 82.9 | 0 | 0 | 0 | 0 | 111.7 | D6 V165 K166 D167 | D6-S169 WeakPolarHBondContact OD2-CB 3.49Å; D6-S169 PolarHBondContact OD2-OG 2.91Å; V165-S169 WeakPolarHBondContact CA-O 3.26Å; K166-S169 PolarHBondContact N-O 2.76Å; K166-S169 CarbonylContact O-C 3.52Å; K166-S169 PolarHBondContact O-N 3.47Å; K166-S169 VanDerWaalsContact O-O 3.06Å; K166-S169 PolarHBondContact O-OG 3.36Å; D167-S169 PolarHBondContact O-N 3.11Å |
| 170 | C | 88.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.3 | 176.5 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | I5 D6 C97 L101 V163 | I5-C170 VanDerWaalsContact CA-O 3.3Å; I5-C170 WeakPolarHBondContact CA-O 3.09Å; D6-C170 PolarHBondContact N-O 3.22Å; C97-C170 HydrophobicContact CB-CB 3.84Å; C97-C170 WeakPolarHBondContact CB-SG 3.38Å; C97-C170 WeakPolarHBondContact SG-CA 3.19Å; C97-C170 WeakPolarHBondContact SG-CB 3.38Å; C97-C170 CovalentContact SG-SG 2.04Å; C97-C170 PolarHBondContact SG-SG 3.44Å; L101-C170 HydrophobicContact CD1-CB 4.34Å; V163-C170 HydrophobicContact CG1-CB 4.05Å |
| 171 | A | 89.8 | Confident | 90.5 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 154.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V163 Y164 K166 | V163-A171 WeakPolarHBondContact CA-O 3.49Å; V163-A171 WeakPolarHBondContact CG1-O 3.35Å; Y164-A171 VanDerWaalsContact CD1-O 3.32Å; Y164-A171 WeakPolarHBondContact CD1-O 3.47Å; Y164-A171 HydrophobicContact CE1-CB 4.2Å; Y164-A171 PolarHBondContact N-O 3.3Å; Y164-A171 PolarHBondContact O-N 3.12Å; K166-A171 HydrophobicContact CB-CB 3.59Å; K166-A171 HydrophobicContact CD-CB 4.03Å; K166-A171 HydrophobicContact CG-CB 4.45Å |
| 172 | P | 91.8 | Very high | 90.2 | Very high | 18 Ų | 18 | 70.5 Ų | 70.5 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 138.7 | 178.2 | 28.2 | -14.4 | 0 | 0 | 0 | 107.8 | I5 Y164 Q174 H180 | I5-P172 HydrophobicContact CG2-CB 3.74Å; I5-P172 HydrophobicContact CG2-CG 3.35Å; Y164-P172 WeakPolarHBondContact CE1-O 3.43Å; P172-Q174 PolarHBondContact O-N 3.1Å; P172-H180 HydrophobicContact CB-CB 4Å; P172-H180 WeakPolarHBondContact CB-CD2 3.47Å |
| 173 | K | 92.4 | Very high | 90 | Very high | 70 Ų | 70 | 71.3 Ų | 71.3 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | trans | -60.3 | 143.9 | 172.6 | -65.9 | -179.3 | 178.5 | 170.4 | 0 | 109.6 | W161 T162 Y164 E175 Y176 K177 | W161-K173 VanDerWaalsContact O-CD 3.32Å; W161-K173 WeakPolarHBondContact O-CD 3.29Å; W161-K173 WeakPolarHBondContact O-CE 3.16Å; W161-K173 PolarHBondContact O-NZ 3.39Å; T162-K173 PolarHBondContact O-N 2.91Å; Y164-K173 HydrophobicContact CD1-CB 4.24Å; Y164-K173 HydrophobicContact CD1-CG 3.57Å; Y164-K173 HydrophobicContact CE1-CG 4.27Å; Y164-K173 HydrophobicContact CG-CG 4.12Å; K173-E175 HydrophobicContact CB-CG 4.15Å; K173-E175 PolarHBondContact O-N 3.43Å; K173-E175 VanDerWaalsContact O-N 3.14Å; K173-Y176 HydrophobicContact CB-CD2 4.05Å; K173-Y176 HydrophobicContact CD-CD2 4.35Å; K173-Y176 HydrophobicContact CD-CE2 4.36Å; K173-Y176 CarbonylContact O-C 3.54Å; K173-Y176 PolarHBondContact O-N 2.69Å; K173-K177 PolarHBondContact O-N 3.42Å | ||
| 174 | Q | 91.5 | Very high | 89.7 | Confident | 148 Ų | 148 | 73.2 Ų | 73.2 | 69% | 0.692 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -53.2 | -39.5 | -175.5 | -174 | 64.8 | 17.1 | 0 | 0 | 112.6 | P172 Y176 K177 | P172-Q174 PolarHBondContact O-N 3.1Å; Q174-Y176 VanDerWaalsContact C-N 3.27Å; Q174-Y176 PolarHBondContact O-N 2.97Å; Q174-K177 WeakPolarHBondContact O-CB 3.28Å; Q174-K177 PolarHBondContact O-N 2.6Å |
| 175 | E | 95 | Very high | 89.6 | Confident | 136 Ų | 136 | 75.4 Ų | 75.4 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -65.8 | -22.9 | 178.2 | 66.9 | -165.3 | 172.8 | 0 | 0 | 114.3 | K173 | K173-E175 HydrophobicContact CB-CG 4.15Å; K173-E175 PolarHBondContact O-N 3.43Å; K173-E175 VanDerWaalsContact O-N 3.14Å |
| 176 | Y | 94.5 | Very high | 89.6 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 30% | 0.302 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -108.9 | 12.9 | 178.9 | -58.6 | -63.6 | 0 | 0 | 0 | 112.9 | W161 T162 K173 Q174 S178 F179 H180 | W161-Y176 AromaticContact CD1-CE2 3.91Å; W161-Y176 AromaticContact CD1-CZ 3.85Å; T162-Y176 HydrophobicContact CG2-CD1 4.09Å; T162-Y176 HydrophobicContact CG2-CD2 3.8Å; T162-Y176 HydrophobicContact CG2-CE1 4.44Å; T162-Y176 HydrophobicContact CG2-CE2 4.17Å; T162-Y176 HydrophobicContact CG2-CG 3.77Å; K173-Y176 HydrophobicContact CB-CD2 4.05Å; K173-Y176 HydrophobicContact CD-CD2 4.35Å; K173-Y176 HydrophobicContact CD-CE2 4.36Å; K173-Y176 CarbonylContact O-C 3.54Å; K173-Y176 PolarHBondContact O-N 2.69Å; Q174-Y176 VanDerWaalsContact C-N 3.27Å; Q174-Y176 PolarHBondContact O-N 2.97Å; Y176-S178 VanDerWaalsContact C-N 3.35Å; Y176-S178 PolarHBondContact O-N 3.43Å; Y176-F179 WeakPolarHBondContact O-CB 2.98Å; Y176-F179 PolarHBondContact O-N 3.33Å; Y176-F179 VanDerWaalsContact O-N 3.13Å; Y176-H180 PolarHBondContact O-CD2 3.3Å; Y176-H180 VanDerWaalsContact O-CD2 3.31Å; Y176-H180 PolarHBondContact O-N 3.05Å |
| 177 | K | 89.7 | Confident | 89.8 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | -178 | -170.1 | 177.9 | -177.4 | -178.6 | 0 | 112.1 | K173 Q174 F179 H180 L181 | K173-K177 PolarHBondContact O-N 3.42Å; Q174-K177 WeakPolarHBondContact O-CB 3.28Å; Q174-K177 PolarHBondContact O-N 2.6Å; K177-F179 VanDerWaalsContact C-N 3.31Å; K177-F179 PolarHBondContact O-N 3.31Å; K177-H180 PolarHBondContact O-N 2.62Å; K177-L181 PolarHBondContact O-N 2.91Å |
| 178 | S | 90.7 | Very high | 90.1 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.3 | -37.5 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | Y176 L181 Y182 | Y176-S178 VanDerWaalsContact C-N 3.35Å; Y176-S178 PolarHBondContact O-N 3.43Å; S178-L181 WeakPolarHBondContact O-CB 3.36Å; S178-L181 PolarHBondContact O-N 3.06Å; S178-Y182 WeakPolarHBondContact O-CD2 3.48Å; S178-Y182 PolarHBondContact O-N 3.1Å |
| 179 | F | 93 | Very high | 90.5 | Very high | 78 Ų | 78 | 63.2 Ų | 63.2 | 34% | 0.342 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 175.8 | 171.2 | -93.1 | 0 | 0 | 0 | 111.2 | H158 Y176 K177 L181 Y182 W183 | H158-F179 AromaticContact CE1-CE1 3.64Å; H158-F179 AromaticContact CG-CE1 3.84Å; H158-F179 AromaticContact CG-CZ 3.9Å; H158-F179 AromaticContact ND1-CE1 3.47Å; H158-F179 WeakPolarHBondContact ND1-CE1 3.43Å; Y176-F179 WeakPolarHBondContact O-CB 2.98Å; Y176-F179 PolarHBondContact O-N 3.33Å; Y176-F179 VanDerWaalsContact O-N 3.13Å; K177-F179 VanDerWaalsContact C-N 3.31Å; K177-F179 PolarHBondContact O-N 3.31Å; F179-L181 PolarHBondContact O-N 2.69Å; F179-Y182 PolarHBondContact O-N 2.86Å; F179-W183 HydrophobicContact CE1-CB 4.37Å; F179-W183 HydrophobicContact CE1-CD2 4.21Å; F179-W183 AromaticContact CE1-CE3 3.96Å; F179-W183 HydrophobicContact CE1-CE3 3.96Å; F179-W183 HydrophobicContact CE1-CG 4.39Å; F179-W183 AromaticContact CE2-CE3 3.94Å; F179-W183 HydrophobicContact CE2-CE3 3.94Å; F179-W183 HydrophobicContact CE2-CZ3 4.33Å; F179-W183 HydrophobicContact CZ-CD2 4.02Å; F179-W183 AromaticContact CZ-CE3 3.31Å; F179-W183 HydrophobicContact CZ-CE3 3.31Å; F179-W183 AromaticContact CZ-CZ3 3.73Å; F179-W183 HydrophobicContact CZ-CZ3 3.73Å; F179-W183 WeakPolarHBondContact O-CB 3.38Å; F179-W183 PolarHBondContact O-N 3.45Å |
| 180 | H | 89.9 | Confident | 91 | Very high | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.2 | -20.4 | 177.9 | -77.8 | -76.9 | 0 | 0 | 0 | 113.9 | I5 T162 P172 Y176 K177 P184 | I5-H180 WeakPolarHBondContact CD1-CE1 3.49Å; I5-H180 VanDerWaalsContact CD1-ND1 3.3Å; I5-H180 WeakPolarHBondContact CD1-ND1 3.48Å; T162-H180 VanDerWaalsContact CB-NE2 3.3Å; T162-H180 WeakPolarHBondContact CB-NE2 3.33Å; T162-H180 PolarHBondContact O-NE2 3.23Å; T162-H180 VanDerWaalsContact O-NE2 3.12Å; T162-H180 PolarHBondContact OG1-CE1 2.88Å; T162-H180 VanDerWaalsContact OG1-CE1 3.27Å; T162-H180 PolarHBondContact OG1-NE2 3.05Å; P172-H180 HydrophobicContact CB-CB 4Å; P172-H180 WeakPolarHBondContact CB-CD2 3.47Å; Y176-H180 PolarHBondContact O-CD2 3.3Å; Y176-H180 VanDerWaalsContact O-CD2 3.31Å; Y176-H180 PolarHBondContact O-N 3.05Å; K177-H180 PolarHBondContact O-N 2.62Å; H180-P184 VanDerWaalsContact O-CD 3.23Å; H180-P184 WeakPolarHBondContact O-CD 3.3Å |
| 181 | L | 86.7 | Confident | 91.1 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 61% | 0.613 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.6 | -37.3 | 172.1 | -174.8 | 66.3 | 0 | 0 | 0 | 112.1 | K177 S178 F179 | K177-L181 PolarHBondContact O-N 2.91Å; S178-L181 WeakPolarHBondContact O-CB 3.36Å; S178-L181 PolarHBondContact O-N 3.06Å; F179-L181 PolarHBondContact O-N 2.69Å |
| 182 | Y | 88.9 | Confident | 91.2 | Very high | 155 Ų | 155 | 63.2 Ų | 63.2 | 61% | 0.608 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -93.5 | -21.1 | -180 | -64.9 | -71 | 0 | 0 | 0 | 113.7 | S178 F179 P184 Y185 | S178-Y182 WeakPolarHBondContact O-CD2 3.48Å; S178-Y182 PolarHBondContact O-N 3.1Å; F179-Y182 PolarHBondContact O-N 2.86Å; Y182-P184 VanDerWaalsContact C-CD 3.41Å; Y182-Y185 WeakPolarHBondContact O-CD2 3.49Å; Y182-Y185 PolarHBondContact O-N 3.08Å |
| 183 | W | 91.2 | Very high | 91.1 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 8% | 0.076 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.2 | -40.9 | -177.4 | -177.6 | -103.5 | 0 | 0 | 0 | 114.9 | V155 H158 Y159 F179 Y185 I186 D187 | V155-W183 HydrophobicContact CG1-CH2 3.72Å; V155-W183 HydrophobicContact CG1-CZ2 4.27Å; V155-W183 WeakPolarHBondContact O-CH2 3.33Å; H158-W183 AromaticContact CD2-CH2 3.58Å; H158-W183 AromaticContact CD2-CZ2 3.68Å; H158-W183 AromaticContact CD2-CZ3 3.96Å; H158-W183 AromaticContact CE1-CE2 3.94Å; H158-W183 AromaticContact NE2-CD2 3.61Å; H158-W183 AromaticContact NE2-CE2 3.14Å; H158-W183 AromaticContact NE2-CE3 3.99Å; H158-W183 AromaticContact NE2-CH2 3.49Å; H158-W183 WeakPolarHBondContact NE2-CH2 3.2Å; H158-W183 AromaticContact NE2-CZ2 3.09Å; H158-W183 WeakPolarHBondContact NE2-CZ2 3.35Å; H158-W183 AromaticContact NE2-CZ3 3.93Å; H158-W183 AromaticContact NE2-NE1 3.65Å; Y159-W183 AromaticContact CZ-NE1 3.6Å; Y159-W183 PolarHBondContact OH-NE1 3.03Å; F179-W183 HydrophobicContact CE1-CB 4.37Å; F179-W183 HydrophobicContact CE1-CD2 4.21Å; F179-W183 AromaticContact CE1-CE3 3.96Å; F179-W183 HydrophobicContact CE1-CE3 3.96Å; F179-W183 HydrophobicContact CE1-CG 4.39Å; F179-W183 AromaticContact CE2-CE3 3.94Å; F179-W183 HydrophobicContact CE2-CE3 3.94Å; F179-W183 HydrophobicContact CE2-CZ3 4.33Å; F179-W183 HydrophobicContact CZ-CD2 4.02Å; F179-W183 AromaticContact CZ-CE3 3.31Å; F179-W183 HydrophobicContact CZ-CE3 3.31Å; F179-W183 AromaticContact CZ-CZ3 3.73Å; F179-W183 HydrophobicContact CZ-CZ3 3.73Å; F179-W183 WeakPolarHBondContact O-CB 3.38Å; F179-W183 PolarHBondContact O-N 3.45Å; W183-Y185 PolarHBondContact O-N 3.29Å; W183-Y185 VanDerWaalsContact O-N 3.14Å; W183-I186 HydrophobicContact CE3-CB 4.28Å; W183-I186 HydrophobicContact CE3-CD1 4.21Å; W183-I186 HydrophobicContact CE3-CG2 4.39Å; W183-I186 HydrophobicContact CH2-CG2 4.38Å; W183-I186 HydrophobicContact CZ3-CB 4.44Å; W183-I186 HydrophobicContact CZ3-CD1 4.44Å; W183-I186 HydrophobicContact CZ3-CG2 4.04Å; W183-I186 WeakPolarHBondContact O-CA 3.37Å; W183-I186 WeakPolarHBondContact O-CB 3.27Å; W183-I186 PolarHBondContact O-N 3.04Å; W183-D187 PolarHBondContact O-N 2.84Å |
| 184 | P | 87.5 | Confident | 91.1 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -54.6 | -35.8 | 179.7 | -28.7 | 36.2 | 0 | 0 | 0 | 113.8 | H180 Y182 I186 D187 F188 | H180-P184 VanDerWaalsContact O-CD 3.23Å; H180-P184 WeakPolarHBondContact O-CD 3.3Å; Y182-P184 VanDerWaalsContact C-CD 3.41Å; P184-I186 VanDerWaalsContact C-N 3.32Å; P184-I186 PolarHBondContact O-N 2.85Å; P184-D187 WeakPolarHBondContact O-CB 3.26Å; P184-D187 PolarHBondContact O-N 3.47Å; P184-F188 HydrophobicContact CB-CE2 3.93Å; P184-F188 HydrophobicContact CB-CZ 3.84Å; P184-F188 WeakPolarHBondContact O-CB 3.37Å; P184-F188 WeakPolarHBondContact O-CD1 3.23Å; P184-F188 WeakPolarHBondContact O-CD2 2.85Å; P184-F188 WeakPolarHBondContact O-CE2 3.29Å; P184-F188 WeakPolarHBondContact O-CG 3.47Å; P184-F188 PolarHBondContact O-N 3.43Å |
| 185 | Y | 89.7 | Confident | 91.2 | Very high | 135 Ų | 135 | 60.2 Ų | 60.2 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 177.1 | -60 | -76.7 | 0 | 0 | 0 | 112.5 | Y182 W183 A189 L275 | Y182-Y185 WeakPolarHBondContact O-CD2 3.49Å; Y182-Y185 PolarHBondContact O-N 3.08Å; W183-Y185 PolarHBondContact O-N 3.29Å; W183-Y185 VanDerWaalsContact O-N 3.14Å; Y185-A189 PolarHBondContact O-N 3.1Å; Y185-A189 VanDerWaalsContact O-N 3.14Å; Y185-L275 HydrophobicContact CD1-CD1 3.84Å; Y185-L275 HydrophobicContact CE1-CD1 3.58Å |
| 186 | I | 92.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 56 Ų | 56 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.8 | -46.3 | 175.8 | -59.8 | 173.9 | 0 | 0 | 0 | 109.7 | W183 P184 F188 A189 I190 | W183-I186 HydrophobicContact CE3-CB 4.28Å; W183-I186 HydrophobicContact CE3-CD1 4.21Å; W183-I186 HydrophobicContact CE3-CG2 4.39Å; W183-I186 HydrophobicContact CH2-CG2 4.38Å; W183-I186 HydrophobicContact CZ3-CB 4.44Å; W183-I186 HydrophobicContact CZ3-CD1 4.44Å; W183-I186 HydrophobicContact CZ3-CG2 4.04Å; W183-I186 WeakPolarHBondContact O-CA 3.37Å; W183-I186 WeakPolarHBondContact O-CB 3.27Å; W183-I186 PolarHBondContact O-N 3.04Å; P184-I186 VanDerWaalsContact C-N 3.32Å; P184-I186 PolarHBondContact O-N 2.85Å; I186-F188 VanDerWaalsContact C-N 3.3Å; I186-F188 PolarHBondContact O-N 3.19Å; I186-A189 WeakPolarHBondContact O-CB 3.31Å; I186-A189 PolarHBondContact O-N 3.36Å; I186-A189 VanDerWaalsContact O-N 3.13Å; I186-I190 HydrophobicContact CG2-CD1 3.79Å; I186-I190 HydrophobicContact CG2-CG1 4.43Å; I186-I190 WeakPolarHBondContact O-CG1 3.08Å; I186-I190 PolarHBondContact O-N 3.42Å |
| 187 | D | 91.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.2 | -49 | 174.7 | -166.2 | 55.9 | 0 | 0 | 0 | 110.1 | M1 W183 P184 A189 I190 Y191 | M1-D187 PolarHBondContact N-OD2 2.89Å; W183-D187 PolarHBondContact O-N 2.84Å; P184-D187 WeakPolarHBondContact O-CB 3.26Å; P184-D187 PolarHBondContact O-N 3.47Å; D187-A189 PolarHBondContact O-N 3.29Å; D187-I190 PolarHBondContact O-N 2.79Å; D187-Y191 WeakPolarHBondContact O-CB 3.22Å; D187-Y191 PolarHBondContact O-N 3.43Å |
| 188 | F | 90.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 178.7 | -58.1 | -26 | 0 | 0 | 0 | 113.5 | M1 P184 I186 S192 F193 V271 L275 | M1-F188 HydrophobicContact CE-CD1 3.28Å; M1-F188 HydrophobicContact CE-CE1 3.36Å; P184-F188 HydrophobicContact CB-CE2 3.93Å; P184-F188 HydrophobicContact CB-CZ 3.84Å; P184-F188 WeakPolarHBondContact O-CB 3.37Å; P184-F188 WeakPolarHBondContact O-CD1 3.23Å; P184-F188 WeakPolarHBondContact O-CD2 2.85Å; P184-F188 WeakPolarHBondContact O-CE2 3.29Å; P184-F188 WeakPolarHBondContact O-CG 3.47Å; P184-F188 PolarHBondContact O-N 3.43Å; I186-F188 VanDerWaalsContact C-N 3.3Å; I186-F188 PolarHBondContact O-N 3.19Å; F188-S192 WeakPolarHBondContact O-CA 3.27Å; F188-S192 WeakPolarHBondContact O-CB 3.34Å; F188-S192 PolarHBondContact O-N 3.14Å; F188-F193 HydrophobicContact CB-CD2 4.25Å; F188-F193 HydrophobicContact CB-CE2 4.1Å; F188-F193 PolarHBondContact O-N 3.36Å; F188-F193 VanDerWaalsContact O-N 3.1Å; F188-V271 HydrophobicContact CB-CG1 4.11Å; F188-V271 HydrophobicContact CD1-CG1 4.11Å; F188-V271 HydrophobicContact CD2-CG1 4.43Å; F188-V271 HydrophobicContact CG-CG1 3.95Å; F188-L275 HydrophobicContact CD2-CB 4.46Å; F188-L275 HydrophobicContact CD2-CD1 4.01Å; F188-L275 HydrophobicContact CE2-CB 4.01Å; F188-L275 HydrophobicContact CE2-CD1 3.99Å |
| 189 | A | 92.9 | Very high | 90.9 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -62 | -46.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y185 I186 D187 F193 I194 | Y185-A189 PolarHBondContact O-N 3.1Å; Y185-A189 VanDerWaalsContact O-N 3.14Å; I186-A189 WeakPolarHBondContact O-CB 3.31Å; I186-A189 PolarHBondContact O-N 3.36Å; I186-A189 VanDerWaalsContact O-N 3.13Å; D187-A189 PolarHBondContact O-N 3.29Å; A189-F193 PolarHBondContact O-N 3.34Å; A189-I194 HydrophobicContact CB-CD1 4.15Å; A189-I194 HydrophobicContact CB-CG1 4.47Å; A189-I194 WeakPolarHBondContact O-CB 3.42Å; A189-I194 VanDerWaalsContact O-CG1 3.25Å; A189-I194 WeakPolarHBondContact O-CG1 3.33Å; A189-I194 PolarHBondContact O-N 3.04Å |
| 190 | I | 93.6 | Very high | 90.8 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -73.7 | -40.9 | -175.8 | -65.7 | 177.2 | 0 | 0 | 0 | 112 | W113 L152 V155 I186 D187 P195 | W113-I190 HydrophobicContact CZ2-CG2 4.36Å; W113-I190 PolarHBondContact NE1-O 3.31Å; L152-I190 HydrophobicContact CD2-CG2 4.06Å; V155-I190 HydrophobicContact CG1-CD1 3.51Å; V155-I190 HydrophobicContact CG2-CD1 4.37Å; I186-I190 HydrophobicContact CG2-CD1 3.79Å; I186-I190 HydrophobicContact CG2-CG1 4.43Å; I186-I190 WeakPolarHBondContact O-CG1 3.08Å; I186-I190 PolarHBondContact O-N 3.42Å; D187-I190 PolarHBondContact O-N 2.79Å; I190-P195 VanDerWaalsContact O-CD 3.28Å; I190-P195 WeakPolarHBondContact O-CD 3.44Å; I190-P195 WeakPolarHBondContact O-CG 3.18Å |
| 191 | Y | 91.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -79.8 | -32.1 | -176.3 | 175.3 | -109.9 | 0 | 0 | 0 | 113.1 | M1 T108 D187 T267 V271 Q302 | M1-Y191 HydrophobicContact CE-CD1 3.73Å; M1-Y191 HydrophobicContact CE-CE1 4.09Å; M1-Y191 HydrophobicContact SD-CD1 3.72Å; M1-Y191 HydrophobicContact SD-CE1 3.45Å; M1-Y191 WeakPolarHBondContact SD-CE1 3.48Å; T108-Y191 HydrophobicContact CG2-CD2 3.9Å; T108-Y191 HydrophobicContact CG2-CE2 3.35Å; D187-Y191 WeakPolarHBondContact O-CB 3.22Å; D187-Y191 PolarHBondContact O-N 3.43Å; Y191-T267 HydrophobicContact CE1-CG2 4.43Å; Y191-T267 WeakPolarHBondContact OH-CB 3.45Å; Y191-T267 WeakPolarHBondContact OH-CG2 3.41Å; Y191-V271 HydrophobicContact CD1-CG2 4.27Å; Y191-V271 HydrophobicContact CE1-CG2 4.43Å; Y191-Q302 WeakPolarHBondContact OH-CG 3.39Å; Y191-Q302 PolarHBondContact OH-NE2 2.94Å |
| 192 | S | 90.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -129.8 | -64.1 | -167.3 | 159.3 | 0 | 0 | 0 | 0 | 113.8 | F188 P195 L196 M268 | F188-S192 WeakPolarHBondContact O-CA 3.27Å; F188-S192 WeakPolarHBondContact O-CB 3.34Å; F188-S192 PolarHBondContact O-N 3.14Å; S192-P195 WeakPolarHBondContact O-CD 3.44Å; S192-L196 WeakPolarHBondContact O-CB 3.49Å; S192-L196 PolarHBondContact O-N 3.46Å; S192-M268 WeakPolarHBondContact OG-CE 3.2Å; S192-M268 PolarHBondContact OG-SD 2.89Å |
| 193 | F | 90.7 | Very high | 91.1 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 40% | 0.395 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -69.9 | -42.8 | -166.2 | -66.6 | -59.3 | 0 | 0 | 0 | 113.3 | F188 A189 L196 A197 V271 | F188-F193 HydrophobicContact CB-CD2 4.25Å; F188-F193 HydrophobicContact CB-CE2 4.1Å; F188-F193 PolarHBondContact O-N 3.36Å; F188-F193 VanDerWaalsContact O-N 3.1Å; A189-F193 PolarHBondContact O-N 3.34Å; F193-L196 PolarHBondContact O-N 3.02Å; F193-A197 PolarHBondContact O-N 3.49Å; F193-V271 HydrophobicContact CE2-CG1 4.26Å; F193-V271 HydrophobicContact CZ-CG1 4.18Å |
| 194 | I | 93.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 48.7 Ų | 48.7 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -50.3 | 176 | -65.4 | 168.6 | 0 | 0 | 0 | 110 | W113 A189 L196 A197 F198 | W113-I194 HydrophobicContact CH2-CG2 4.38Å; W113-I194 HydrophobicContact CZ2-CG2 4.39Å; A189-I194 HydrophobicContact CB-CD1 4.15Å; A189-I194 HydrophobicContact CB-CG1 4.47Å; A189-I194 WeakPolarHBondContact O-CB 3.42Å; A189-I194 VanDerWaalsContact O-CG1 3.25Å; A189-I194 WeakPolarHBondContact O-CG1 3.33Å; A189-I194 PolarHBondContact O-N 3.04Å; I194-L196 VanDerWaalsContact C-N 3.29Å; I194-L196 PolarHBondContact O-N 3.33Å; I194-A197 PolarHBondContact O-N 2.94Å; I194-F198 VanDerWaalsContact O-CB 3.31Å; I194-F198 WeakPolarHBondContact O-CB 3.13Å; I194-F198 PolarHBondContact O-N 3.29Å |
| 195 | P | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.8 | -43.1 | 172.4 | -29.6 | 35.1 | 0 | 0 | 0 | 114 | T112 I116 I190 S192 F198 I199 | T112-P195 HydrophobicContact CG2-CB 3.61Å; T112-P195 HydrophobicContact CG2-CG 3.65Å; I116-P195 HydrophobicContact CD1-CB 3.96Å; I116-P195 HydrophobicContact CD1-CG 4.07Å; I116-P195 HydrophobicContact CG1-CB 4.48Å; I190-P195 VanDerWaalsContact O-CD 3.28Å; I190-P195 WeakPolarHBondContact O-CD 3.44Å; I190-P195 WeakPolarHBondContact O-CG 3.18Å; S192-P195 WeakPolarHBondContact O-CD 3.44Å; P195-F198 PolarHBondContact O-N 3.31Å; P195-I199 HydrophobicContact CB-CD1 4.38Å; P195-I199 VanDerWaalsContact O-CB 3.28Å; P195-I199 WeakPolarHBondContact O-CB 3.34Å; P195-I199 WeakPolarHBondContact O-CD1 3.29Å; P195-I199 WeakPolarHBondContact O-CG1 3.49Å; P195-I199 PolarHBondContact O-N 2.84Å |
| 196 | L | 89.4 | Confident | 91.2 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.4 | -56 | 178.5 | -179.1 | 59 | 0 | 0 | 0 | 111.9 | S192 F193 I194 F198 I199 L200 F264 | S192-L196 WeakPolarHBondContact O-CB 3.49Å; S192-L196 PolarHBondContact O-N 3.46Å; F193-L196 PolarHBondContact O-N 3.02Å; I194-L196 VanDerWaalsContact C-N 3.29Å; I194-L196 PolarHBondContact O-N 3.33Å; L196-F198 VanDerWaalsContact C-N 3.28Å; L196-F198 PolarHBondContact O-N 3Å; L196-I199 PolarHBondContact O-N 3.13Å; L196-L200 HydrophobicContact CD1-CD1 3.64Å; L196-L200 HydrophobicContact CD1-CG 3.97Å; L196-L200 HydrophobicContact CG-CD1 3.92Å; L196-L200 WeakPolarHBondContact O-CB 3.13Å; L196-L200 VanDerWaalsContact O-CG 3.28Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 2.86Å; L196-F264 HydrophobicContact CB-CD1 4.15Å; L196-F264 HydrophobicContact CB-CE1 3.4Å; L196-F264 HydrophobicContact CB-CE2 4.17Å; L196-F264 HydrophobicContact CB-CZ 3.45Å; L196-F264 VanDerWaalsContact CB-CZ 3.45Å; L196-F264 HydrophobicContact CD1-CD1 3.76Å; L196-F264 HydrophobicContact CD1-CD2 3.49Å; L196-F264 VanDerWaalsContact CD1-CD2 3.49Å; L196-F264 HydrophobicContact CD1-CE1 3.73Å; L196-F264 HydrophobicContact CD1-CE2 3.4Å; L196-F264 HydrophobicContact CD1-CG 3.72Å; L196-F264 HydrophobicContact CD1-CZ 3.58Å; L196-F264 HydrophobicContact CD2-CD1 4.43Å; L196-F264 HydrophobicContact CD2-CE1 4.46Å; L196-F264 HydrophobicContact CG-CD1 4.32Å; L196-F264 HydrophobicContact CG-CE1 4.02Å; L196-F264 HydrophobicContact CG-CE2 4.38Å; L196-F264 HydrophobicContact CG-CZ 4.09Å |
| 197 | A | 91.6 | Very high | 91 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.8 | -46.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F193 I194 L201 | F193-A197 PolarHBondContact O-N 3.49Å; I194-A197 PolarHBondContact O-N 2.94Å; A197-L201 WeakPolarHBondContact O-CB 3.23Å; A197-L201 WeakPolarHBondContact O-CD1 3.45Å; A197-L201 WeakPolarHBondContact O-CG 3.45Å; A197-L201 PolarHBondContact O-N 3.36Å |
| 198 | F | 92.7 | Very high | 91 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.6 | -49.1 | -177.8 | -164.1 | -80.9 | 0 | 0 | 0 | 112.2 | I116 I120 I194 P195 L196 L200 L201 V202 | I116-F198 HydrophobicContact CB-CD1 4.39Å; I116-F198 HydrophobicContact CG1-CD1 4.38Å; I116-F198 HydrophobicContact CG2-CD1 3.46Å; I116-F198 VanDerWaalsContact CG2-CD1 3.46Å; I116-F198 HydrophobicContact CG2-CE1 3.5Å; I116-F198 VanDerWaalsContact CG2-CE1 3.5Å; I116-F198 HydrophobicContact CG2-CG 4.17Å; I116-F198 HydrophobicContact CG2-CZ 4.24Å; I120-F198 HydrophobicContact CD1-CE1 3.71Å; I120-F198 HydrophobicContact CD1-CZ 3.55Å; I120-F198 HydrophobicContact CG1-CE1 3.4Å; I120-F198 HydrophobicContact CG1-CZ 3.55Å; I194-F198 VanDerWaalsContact O-CB 3.31Å; I194-F198 WeakPolarHBondContact O-CB 3.13Å; I194-F198 PolarHBondContact O-N 3.29Å; P195-F198 PolarHBondContact O-N 3.31Å; L196-F198 VanDerWaalsContact C-N 3.28Å; L196-F198 PolarHBondContact O-N 3Å; F198-L200 PolarHBondContact O-N 3.44Å; F198-L201 PolarHBondContact O-N 2.88Å; F198-V202 HydrophobicContact CD1-CG2 3.8Å; F198-V202 HydrophobicContact CE1-CG2 3.42Å; F198-V202 VanDerWaalsContact CE1-CG2 3.42Å; F198-V202 HydrophobicContact CZ-CG2 3.99Å; F198-V202 WeakPolarHBondContact O-CB 3.17Å; F198-V202 VanDerWaalsContact O-CG2 3.31Å; F198-V202 WeakPolarHBondContact O-CG2 3.33Å; F198-V202 PolarHBondContact O-N 3.43Å |
| 199 | I | 90.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | -177.6 | -65 | 164.7 | 0 | 0 | 0 | 111.1 | I115 I116 P195 L196 V202 N203 T260 F264 | I115-I199 HydrophobicContact CB-CD1 4.42Å; I115-I199 HydrophobicContact CG2-CD1 3.85Å; I115-I199 HydrophobicContact CG2-CG1 4.49Å; I116-I199 HydrophobicContact CG1-CD1 4.24Å; I116-I199 HydrophobicContact CG1-CG1 3.98Å; P195-I199 HydrophobicContact CB-CD1 4.38Å; P195-I199 VanDerWaalsContact O-CB 3.28Å; P195-I199 WeakPolarHBondContact O-CB 3.34Å; P195-I199 WeakPolarHBondContact O-CD1 3.29Å; P195-I199 WeakPolarHBondContact O-CG1 3.49Å; P195-I199 PolarHBondContact O-N 2.84Å; L196-I199 PolarHBondContact O-N 3.13Å; I199-V202 PolarHBondContact O-N 3.14Å; I199-N203 WeakPolarHBondContact CG2-ND2 3.32Å; I199-N203 VanDerWaalsContact O-CB 3.32Å; I199-N203 WeakPolarHBondContact O-CB 3.3Å; I199-N203 PolarHBondContact O-N 3.1Å; I199-N203 PolarHBondContact O-ND2 3.36Å; I199-T260 HydrophobicContact CB-CG2 4.14Å; I199-T260 HydrophobicContact CD1-CG2 4.45Å; I199-T260 HydrophobicContact CG2-CG2 3.32Å; I199-T260 VanDerWaalsContact CG2-OG1 3.24Å; I199-T260 WeakPolarHBondContact CG2-OG1 2.99Å; I199-F264 HydrophobicContact CD1-CE2 4.39Å; I199-F264 HydrophobicContact CD1-CZ 4.42Å |
| 200 | L | 89.1 | Confident | 90.4 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -50.4 | 175.8 | -73.6 | 176 | 0 | 0 | 0 | 111.3 | L196 F198 V202 N203 I204 | L196-L200 HydrophobicContact CD1-CD1 3.64Å; L196-L200 HydrophobicContact CD1-CG 3.97Å; L196-L200 HydrophobicContact CG-CD1 3.92Å; L196-L200 WeakPolarHBondContact O-CB 3.13Å; L196-L200 VanDerWaalsContact O-CG 3.28Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 2.86Å; F198-L200 PolarHBondContact O-N 3.44Å; L200-V202 VanDerWaalsContact C-N 3.32Å; L200-V202 PolarHBondContact O-N 2.95Å; L200-N203 PolarHBondContact O-N 2.98Å; L200-I204 WeakPolarHBondContact O-CB 3.42Å; L200-I204 WeakPolarHBondContact O-CD1 3.5Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 3.44Å |
| 201 | L | 92.8 | Very high | 90 | Very high | 120 Ų | 120 | 56.8 Ų | 56.8 | 63% | 0.628 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59 | -44.1 | 179.7 | -71.5 | 171.4 | 0 | 0 | 0 | 111.7 | A197 F198 S205 | A197-L201 WeakPolarHBondContact O-CB 3.23Å; A197-L201 WeakPolarHBondContact O-CD1 3.45Å; A197-L201 WeakPolarHBondContact O-CG 3.45Å; A197-L201 PolarHBondContact O-N 3.36Å; F198-L201 PolarHBondContact O-N 2.88Å; L201-S205 VanDerWaalsContact O-CB 3.28Å; L201-S205 WeakPolarHBondContact O-CB 3.37Å; L201-S205 PolarHBondContact O-N 3.45Å |
| 202 | V | 92 | Very high | 89.7 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 11% | 0.109 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.1 | -42.6 | -179.6 | 175 | 0 | 0 | 0 | 0 | 112.1 | C119 A123 F198 I199 L200 S205 I206 | C119-V202 HydrophobicContact CB-CB 4.2Å; C119-V202 HydrophobicContact CB-CG1 3.71Å; C119-V202 WeakPolarHBondContact O-CG1 3.36Å; A123-V202 HydrophobicContact CB-CG1 3.73Å; F198-V202 HydrophobicContact CD1-CG2 3.8Å; F198-V202 HydrophobicContact CE1-CG2 3.42Å; F198-V202 VanDerWaalsContact CE1-CG2 3.42Å; F198-V202 HydrophobicContact CZ-CG2 3.99Å; F198-V202 WeakPolarHBondContact O-CB 3.17Å; F198-V202 VanDerWaalsContact O-CG2 3.31Å; F198-V202 WeakPolarHBondContact O-CG2 3.33Å; F198-V202 PolarHBondContact O-N 3.43Å; I199-V202 PolarHBondContact O-N 3.14Å; L200-V202 VanDerWaalsContact C-N 3.32Å; L200-V202 PolarHBondContact O-N 2.95Å; V202-S205 WeakPolarHBondContact O-CB 3.3Å; V202-S205 PolarHBondContact O-N 3.47Å; V202-I206 HydrophobicContact CG1-CD1 4Å; V202-I206 WeakPolarHBondContact O-CG1 3.23Å; V202-I206 PolarHBondContact O-N 3.11Å |
| 203 | N | 88.5 | Confident | 89.1 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 177.8 | -77.5 | -37.6 | 0 | 0 | 0 | 112.3 | I199 L200 S205 I206 I207 L253 | I199-N203 WeakPolarHBondContact CG2-ND2 3.32Å; I199-N203 VanDerWaalsContact O-CB 3.32Å; I199-N203 WeakPolarHBondContact O-CB 3.3Å; I199-N203 PolarHBondContact O-N 3.1Å; I199-N203 PolarHBondContact O-ND2 3.36Å; L200-N203 PolarHBondContact O-N 2.98Å; N203-S205 VanDerWaalsContact C-N 3.3Å; N203-S205 PolarHBondContact O-N 3.19Å; N203-I206 PolarHBondContact O-N 3.42Å; N203-I207 VanDerWaalsContact O-CG1 3.28Å; N203-I207 WeakPolarHBondContact O-CG1 3.06Å; N203-I207 PolarHBondContact O-N 2.98Å; N203-L253 VanDerWaalsContact OD1-CD1 3.26Å; N203-L253 WeakPolarHBondContact OD1-CD1 3.27Å |
| 204 | I | 90.6 | Very high | 88.3 | Confident | 109 Ų | 109 | 61 Ų | 61 | 56% | 0.559 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.6 | -46.3 | 172.4 | -70.2 | 165.1 | 0 | 0 | 0 | 109.9 | L200 I206 I207 W208 | L200-I204 WeakPolarHBondContact O-CB 3.42Å; L200-I204 WeakPolarHBondContact O-CD1 3.5Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 3.44Å; I204-I206 PolarHBondContact O-N 3.48Å; I204-I207 PolarHBondContact O-N 2.95Å; I204-W208 WeakPolarHBondContact O-CB 3.39Å; I204-W208 PolarHBondContact O-N 3.33Å |
| 205 | S | 91.2 | Very high | 87.3 | Confident | 36 Ų | 36 | 60.9 Ų | 60.9 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 112.8 | W127 L201 V202 N203 R209 | W127-S205 VanDerWaalsContact CE2-OG 3.23Å; W127-S205 WeakPolarHBondContact CZ2-OG 3.48Å; W127-S205 PolarHBondContact NE1-OG 3.16Å; L201-S205 VanDerWaalsContact O-CB 3.28Å; L201-S205 WeakPolarHBondContact O-CB 3.37Å; L201-S205 PolarHBondContact O-N 3.45Å; V202-S205 WeakPolarHBondContact O-CB 3.3Å; V202-S205 PolarHBondContact O-N 3.47Å; N203-S205 VanDerWaalsContact C-N 3.3Å; N203-S205 PolarHBondContact O-N 3.19Å; S205-R209 WeakPolarHBondContact O-CB 3.19Å; S205-R209 PolarHBondContact O-N 3.37Å |
| 206 | I | 88 | Confident | 86.1 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -49.8 | 175.5 | -68.7 | 164.4 | 0 | 0 | 0 | 110.9 | R122 A123 V126 V202 N203 I204 W208 R209 M210 L253 | R122-I206 HydrophobicContact CB-CD1 3.78Å; A123-I206 HydrophobicContact CB-CD1 4.33Å; A123-I206 HydrophobicContact CB-CG1 4.12Å; V126-I206 HydrophobicContact CG2-CG2 4.19Å; V202-I206 HydrophobicContact CG1-CD1 4Å; V202-I206 WeakPolarHBondContact O-CG1 3.23Å; V202-I206 PolarHBondContact O-N 3.11Å; N203-I206 PolarHBondContact O-N 3.42Å; I204-I206 PolarHBondContact O-N 3.48Å; I206-W208 VanDerWaalsContact C-N 3.34Å; I206-W208 PolarHBondContact O-N 2.93Å; I206-R209 PolarHBondContact O-N 3.48Å; I206-M210 HydrophobicContact CG2-CG 4.42Å; I206-M210 HydrophobicContact CG2-SD 3.92Å; I206-M210 WeakPolarHBondContact O-CG 3.27Å; I206-M210 PolarHBondContact O-N 2.94Å; I206-L253 HydrophobicContact CB-CD1 4.37Å; I206-L253 HydrophobicContact CD1-CD1 4.11Å; I206-L253 HydrophobicContact CG2-CD1 3.96Å; I206-L253 HydrophobicContact CG2-CD2 3.73Å; I206-L253 HydrophobicContact CG2-CG 4.4Å |
| 207 | I | 88.6 | Confident | 85 | Confident | 75 Ų | 75 | 64.7 Ų | 64.7 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | -179.1 | -68.3 | 165.6 | 0 | 0 | 0 | 110.5 | N203 I204 R209 M210 K211 L253 | N203-I207 VanDerWaalsContact O-CG1 3.28Å; N203-I207 WeakPolarHBondContact O-CG1 3.06Å; N203-I207 PolarHBondContact O-N 2.98Å; I204-I207 PolarHBondContact O-N 2.95Å; I207-R209 PolarHBondContact O-N 2.97Å; I207-M210 PolarHBondContact O-N 3.43Å; I207-K211 HydrophobicContact CG2-CD 4.3Å; I207-K211 WeakPolarHBondContact O-CG 3.31Å; I207-K211 PolarHBondContact O-N 3.32Å; I207-L253 HydrophobicContact CG1-CD2 4.36Å |
| 208 | W | 90.3 | Very high | 83.7 | Confident | 145 Ų | 145 | 69.2 Ų | 69.2 | 55% | 0.549 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.7 | -49.7 | 177.3 | 179.7 | 78.7 | 0 | 0 | 0 | 111.2 | W127 I204 I206 M210 K211 T212 | W127-W208 AromaticContact CH2-CE3 3.66Å; W127-W208 HydrophobicContact CH2-CE3 3.66Å; W127-W208 HydrophobicContact CH2-CH2 4.27Å; W127-W208 AromaticContact CH2-CZ3 3.2Å; W127-W208 HydrophobicContact CH2-CZ3 3.2Å; W127-W208 AromaticContact CZ2-CE3 3.7Å; W127-W208 HydrophobicContact CZ2-CE3 3.7Å; W127-W208 AromaticContact CZ2-CZ3 3.76Å; W127-W208 HydrophobicContact CZ2-CZ3 3.76Å; W127-W208 AromaticContact CZ3-CZ3 3.93Å; W127-W208 HydrophobicContact CZ3-CZ3 3.93Å; I204-W208 WeakPolarHBondContact O-CB 3.39Å; I204-W208 PolarHBondContact O-N 3.33Å; I206-W208 VanDerWaalsContact C-N 3.34Å; I206-W208 PolarHBondContact O-N 2.93Å; W208-M210 PolarHBondContact O-N 2.91Å; W208-K211 PolarHBondContact O-N 2.89Å; W208-T212 PolarHBondContact O-N 3.43Å; W208-T212 PolarHBondContact O-OG1 3.19Å; W208-T212 VanDerWaalsContact O-OG1 3.08Å |
| 209 | R | 86.8 | Confident | 82.2 | Confident | 59 Ų | 59 | 72 Ų | 72 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.9 | -37.2 | -179.3 | -177.8 | 54.9 | -178.1 | -100.8 | 2.2 | 113.1 | V126 W127 S205 I206 I207 T213 | V126-R209 HydrophobicContact CG1-CB 3.82Å; V126-R209 HydrophobicContact CG1-CG 3.58Å; W127-R209 HydrophobicContact CD2-CB 4.47Å; W127-R209 HydrophobicContact CD2-CG 4.29Å; W127-R209 HydrophobicContact CG-CG 4.47Å; W127-R209 HydrophobicContact CZ2-CB 4.29Å; W127-R209 PolarHBondContact O-NH1 2.89Å; S205-R209 WeakPolarHBondContact O-CB 3.19Å; S205-R209 PolarHBondContact O-N 3.37Å; I206-R209 PolarHBondContact O-N 3.48Å; I207-R209 PolarHBondContact O-N 2.97Å; R209-T213 WeakPolarHBondContact O-CB 3.21Å; R209-T213 PolarHBondContact O-N 3.49Å; R209-T213 VanDerWaalsContact O-N 3.09Å; R209-T213 PolarHBondContact O-OG1 3.31Å |
| 210 | M | 83.9 | Confident | 80.8 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 16% | 0.163 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.2 | -72.2 | 179.7 | 69.8 | 0 | 0 | 111.3 | V126 I206 I207 W208 T212 T213 N214 E246 A250 L253 | V126-M210 HydrophobicContact CG1-CG 4.37Å; I206-M210 HydrophobicContact CG2-CG 4.42Å; I206-M210 HydrophobicContact CG2-SD 3.92Å; I206-M210 WeakPolarHBondContact O-CG 3.27Å; I206-M210 PolarHBondContact O-N 2.94Å; I207-M210 PolarHBondContact O-N 3.43Å; W208-M210 PolarHBondContact O-N 2.91Å; M210-T212 PolarHBondContact O-N 3.3Å; M210-T213 PolarHBondContact O-N 3.09Å; M210-N214 VanDerWaalsContact O-CG 3.27Å; M210-N214 PolarHBondContact O-N 2.89Å; M210-N214 VanDerWaalsContact O-N 3.16Å; M210-E246 HydrophobicContact CE-CG 3.95Å; M210-A250 HydrophobicContact CE-CB 4.21Å; M210-L253 HydrophobicContact SD-CD2 4.03Å |
| 211 | K | 85.5 | Confident | 79.3 | Confident | 145 Ų | 145 | 77.7 Ų | 77.7 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61 | -46.7 | 176.9 | -73.1 | -179.5 | 178.4 | -177 | 0 | 112 | I207 W208 T213 N214 V215 | I207-K211 HydrophobicContact CG2-CD 4.3Å; I207-K211 WeakPolarHBondContact O-CG 3.31Å; I207-K211 PolarHBondContact O-N 3.32Å; W208-K211 PolarHBondContact O-N 2.89Å; K211-T213 PolarHBondContact O-N 3.41Å; K211-N214 PolarHBondContact O-N 3.47Å; K211-V215 WeakPolarHBondContact O-CG2 3.41Å; K211-V215 PolarHBondContact O-N 2.84Å |
| 212 | T | 85.3 | Confident | 77.7 | Confident | 61 Ų | 61 | 79 Ų | 79 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | -179.8 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | W208 M210 N214 V215 S216 | W208-T212 PolarHBondContact O-N 3.43Å; W208-T212 PolarHBondContact O-OG1 3.19Å; W208-T212 VanDerWaalsContact O-OG1 3.08Å; M210-T212 PolarHBondContact O-N 3.3Å; T212-N214 VanDerWaalsContact C-N 3.34Å; T212-N214 PolarHBondContact O-N 3.02Å; T212-V215 PolarHBondContact O-N 3.24Å; T212-S216 PolarHBondContact O-N 2.97Å; T212-S216 VanDerWaalsContact O-N 3.12Å; T212-S216 PolarHBondContact O-OG 3.46Å |
| 213 | T | 78.2 | Confident | 76.1 | Confident | 62 Ų | 62 | 82 Ų | 82 | 38% | 0.38 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.5 | -35.1 | -179.3 | -51 | 0 | 0 | 0 | 0 | 112.1 | R209 M210 K211 S216 T217 | R209-T213 WeakPolarHBondContact O-CB 3.21Å; R209-T213 PolarHBondContact O-N 3.49Å; R209-T213 VanDerWaalsContact O-N 3.09Å; R209-T213 PolarHBondContact O-OG1 3.31Å; M210-T213 PolarHBondContact O-N 3.09Å; K211-T213 PolarHBondContact O-N 3.41Å; T213-S216 PolarHBondContact O-N 2.89Å; T213-T217 PolarHBondContact O-N 3.02Å; T213-T217 PolarHBondContact O-OG1 2.87Å |
| 214 | N | 73.7 | Confident | 74.6 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 31% | 0.31 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.5 | -34.8 | 177.9 | -70.2 | -6.6 | 0 | 0 | 0 | 112.2 | M210 K211 T212 K218 E246 | M210-N214 VanDerWaalsContact O-CG 3.27Å; M210-N214 PolarHBondContact O-N 2.89Å; M210-N214 VanDerWaalsContact O-N 3.16Å; K211-N214 PolarHBondContact O-N 3.47Å; T212-N214 VanDerWaalsContact C-N 3.34Å; T212-N214 PolarHBondContact O-N 3.02Å; N214-K218 WeakPolarHBondContact O-CG 3.28Å; N214-K218 PolarHBondContact O-N 3.35Å; N214-E246 PolarHBondContact ND2-OE1 3.25Å; N214-E246 PolarHBondContact OD1-OE1 3.31Å |
| 215 | V | 72.3 | Confident | 73.1 | Confident | 80 Ų | 80 | 88 Ų | 88 | 49% | 0.485 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | K211 T212 T217 K218 H219 | K211-V215 WeakPolarHBondContact O-CG2 3.41Å; K211-V215 PolarHBondContact O-N 2.84Å; T212-V215 PolarHBondContact O-N 3.24Å; V215-T217 VanDerWaalsContact C-N 3.32Å; V215-T217 PolarHBondContact O-N 3.36Å; V215-K218 PolarHBondContact O-N 3.06Å; V215-H219 PolarHBondContact O-CD2 2.93Å; V215-H219 VanDerWaalsContact O-CD2 3.22Å; V215-H219 PolarHBondContact O-N 3.44Å |
| 216 | S | 67 | Low | 71.3 | Confident | 66 Ų | 66 | 92.3 Ų | 92.3 | 46% | 0.462 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 178.8 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | T212 T213 K218 H219 T220 | T212-S216 PolarHBondContact O-N 2.97Å; T212-S216 VanDerWaalsContact O-N 3.12Å; T212-S216 PolarHBondContact O-OG 3.46Å; T213-S216 PolarHBondContact O-N 2.89Å; S216-K218 PolarHBondContact O-N 2.85Å; S216-H219 PolarHBondContact O-N 3.35Å; S216-T220 PolarHBondContact O-N 3Å; S216-T220 PolarHBondContact O-OG1 3.33Å |
| 217 | T | 66.6 | Low | 69.6 | Low | 63 Ų | 63 | 102.5 Ų | 102.5 | 39% | 0.387 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 179.9 | -53 | 0 | 0 | 0 | 0 | 112 | T213 V215 T220 Q221 | T213-T217 PolarHBondContact O-N 3.02Å; T213-T217 PolarHBondContact O-OG1 2.87Å; V215-T217 VanDerWaalsContact C-N 3.32Å; V215-T217 PolarHBondContact O-N 3.36Å; T217-T220 PolarHBondContact O-N 3.31Å; T217-Q221 PolarHBondContact O-N 3.44Å |
| 218 | K | 63.9 | Low | 68 | Low | 146 Ų | 146 | 105.6 Ų | 105.6 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | 175.5 | -74.5 | 179.8 | 179.3 | -173 | 0 | 112.3 | N214 V215 S216 Q221 N222 | N214-K218 WeakPolarHBondContact O-CG 3.28Å; N214-K218 PolarHBondContact O-N 3.35Å; V215-K218 PolarHBondContact O-N 3.06Å; S216-K218 PolarHBondContact O-N 2.85Å; K218-Q221 PolarHBondContact O-N 3.3Å; K218-N222 PolarHBondContact O-N 3.5Å |
| 219 | H | 62.6 | Low | 66.7 | Low | 134 Ų | 134 | 104.2 Ų | 104.2 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 176.2 | -76.5 | -67.2 | 0 | 0 | 0 | 112.5 | V215 S216 | V215-H219 PolarHBondContact O-CD2 2.93Å; V215-H219 VanDerWaalsContact O-CD2 3.22Å; V215-H219 PolarHBondContact O-N 3.44Å; S216-H219 PolarHBondContact O-N 3.35Å |
| 220 | T | 60.4 | Low | 65.5 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.6 | -34.7 | 177.6 | -50.2 | 0 | 0 | 0 | 0 | 112.8 | S216 T217 N222 S223 I224 | S216-T220 PolarHBondContact O-N 3Å; S216-T220 PolarHBondContact O-OG1 3.33Å; T217-T220 PolarHBondContact O-N 3.31Å; T220-N222 VanDerWaalsContact C-N 3.34Å; T220-N222 PolarHBondContact O-N 3.4Å; T220-S223 PolarHBondContact O-N 2.85Å; T220-S223 PolarHBondContact O-OG 3.18Å; T220-S223 VanDerWaalsContact O-OG 3.12Å; T220-I224 HydrophobicContact CG2-CD1 4.1Å; T220-I224 WeakPolarHBondContact O-CG1 3.23Å |
| 221 | Q | 57.2 | Low | 64.6 | Low | 126 Ų | 126 | 111.5 Ų | 111.5 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -34.3 | 176.9 | -80.3 | -177.5 | -30.9 | 0 | 0 | 112.9 | T217 K218 S223 | T217-Q221 PolarHBondContact O-N 3.44Å; K218-Q221 PolarHBondContact O-N 3.3Å; Q221-S223 VanDerWaalsContact C-N 3.29Å; Q221-S223 PolarHBondContact O-N 3.02Å |
| 222 | N | 58.3 | Low | 63.9 | Low | 147 Ų | 147 | 107.4 Ų | 107.4 | 79% | 0.786 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.8 | -17.4 | 178.3 | -74.2 | -0.8 | 0 | 0 | 0 | 113.7 | K218 T220 | K218-N222 PolarHBondContact O-N 3.5Å; T220-N222 VanDerWaalsContact C-N 3.34Å; T220-N222 PolarHBondContact O-N 3.4Å |
| 223 | S | 59.8 | Low | 63.5 | Low | 83 Ų | 83 | 109.8 Ų | 109.8 | 58% | 0.58 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -95.7 | -10.2 | -178 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | T220 Q221 I225 | T220-S223 PolarHBondContact O-N 2.85Å; T220-S223 PolarHBondContact O-OG 3.18Å; T220-S223 VanDerWaalsContact O-OG 3.12Å; Q221-S223 VanDerWaalsContact C-N 3.29Å; Q221-S223 PolarHBondContact O-N 3.02Å; S223-I225 PolarHBondContact O-N 2.79Å |
| 224 | I | 55.9 | Low | 63.5 | Low | 99 Ų | 99 | 109.6 Ų | 109.6 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | trans | -91.5 | 89.6 | -178.7 | -58.3 | 168 | 0 | 0 | 0 | 109.6 | T220 L235 | T220-I224 HydrophobicContact CG2-CD1 4.1Å; T220-I224 WeakPolarHBondContact O-CG1 3.23Å; I224-L235 HydrophobicContact CD1-CD2 4.29Å | ||
| 225 | I | 59.9 | Low | 63.7 | Low | 147 Ų | 147 | 110.7 Ų | 110.7 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | trans | -58.4 | 135.4 | 160.5 | -62 | 171.4 | 0 | 0 | 0 | 107.7 | S223 R227 | S223-I225 PolarHBondContact O-N 2.79Å; I225-R227 PolarHBondContact O-N 3.25Å | ||
| 226 | P | 53.5 | Low | 64 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 83% | 0.831 | 60% | 0.596 | S | S | * | * | trans | -72.8 | 97.8 | -164.3 | 28.8 | -33.6 | 0 | 0 | 0 | 111.1 | ||||
| 227 | R | 51.8 | Low | 64.5 | Low | 215 Ų | 215 | 115.3 Ų | 115.3 | 81% | 0.811 | 60% | 0.598 | S | S | * | * | trans | -115.5 | 114.4 | 167.6 | -146.1 | 175.7 | -174.7 | 173.7 | 1.8 | 109.7 | I225 | I225-R227 PolarHBondContact O-N 3.25Š| ||
| 228 | E | 56.1 | Low | 65 | Low | 141 Ų | 141 | 117.6 Ų | 117.6 | 66% | 0.659 | 61% | 0.607 | S | S | * | * | trans | 70.9 | 126.1 | 161.2 | -73.9 | 171.3 | 162.6 | 0 | 0 | 121.2 | L230 I231 S232 | E228-L230 PolarHBondContact O-N 3.05Å; E228-I231 PolarHBondContact O-N 3.09Å; E228-S232 PolarHBondContact O-N 3.26Å | ||
| 229 | T | 62.6 | Low | 65.6 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67 | -19.1 | -170.9 | 39.9 | 0 | 0 | 0 | 0 | 116.1 | S232 | T229-S232 VanDerWaalsContact C-OG 3.29Å; T229-S232 WeakPolarHBondContact CA-OG 3.45Å; T229-S232 PolarHBondContact O-OG 3.19Å |
| 230 | L | 61.8 | Low | 66.4 | Low | 149 Ų | 149 | 111.6 Ų | 111.6 | 78% | 0.78 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -84.5 | -38.5 | 178.3 | -90.2 | 156.1 | 0 | 0 | 0 | 112.3 | E228 S232 | E228-L230 PolarHBondContact O-N 3.05Å; L230-S232 VanDerWaalsContact C-N 3.29Å |
| 231 | I | 64.8 | Low | 67.2 | Low | 96 Ų | 96 | 113.8 Ų | 113.8 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70 | -33.2 | 176 | -68.3 | 175 | 0 | 0 | 0 | 109.6 | E228 D233 S234 L235 | E228-I231 PolarHBondContact O-N 3.09Å; I231-D233 VanDerWaalsContact C-N 3.34Å; I231-D233 PolarHBondContact O-N 3.18Å; I231-S234 PolarHBondContact O-N 3.41Å; I231-S234 PolarHBondContact O-OG 3.1Å; I231-L235 HydrophobicContact CB-CD1 4.5Å; I231-L235 HydrophobicContact CG2-CD1 3.24Å; I231-L235 WeakPolarHBondContact O-CD1 3.36Å; I231-L235 PolarHBondContact O-N 3.02Å |
| 232 | S | 70.4 | Confident | 68 | Low | 60 Ų | 60 | 110.4 Ų | 110.4 | 42% | 0.42 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60 | -37.5 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | E228 T229 L230 K236 | E228-S232 PolarHBondContact O-N 3.26Å; T229-S232 VanDerWaalsContact C-OG 3.29Å; T229-S232 WeakPolarHBondContact CA-OG 3.45Å; T229-S232 PolarHBondContact O-OG 3.19Å; L230-S232 VanDerWaalsContact C-N 3.29Å; S232-K236 WeakPolarHBondContact O-CB 2.97Å; S232-K236 PolarHBondContact O-N 2.73Å |
| 233 | D | 77.7 | Confident | 68.9 | Low | 111 Ų | 111 | 105.9 Ų | 105.9 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.6 | -43 | -178.4 | -82.6 | -10.5 | 0 | 0 | 0 | 112.3 | I231 K236 Q237 | I231-D233 VanDerWaalsContact C-N 3.34Å; I231-D233 PolarHBondContact O-N 3.18Å; D233-K236 PolarHBondContact O-N 3.17Å; D233-Q237 WeakPolarHBondContact O-CB 3.44Å; D233-Q237 PolarHBondContact O-N 2.98Å |
| 234 | S | 78 | Confident | 69.8 | Low | 58 Ų | 58 | 104.5 Ų | 104.5 | 41% | 0.406 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -47.8 | 174.5 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | I231 Q237 I238 | I231-S234 PolarHBondContact O-N 3.41Å; I231-S234 PolarHBondContact O-OG 3.1Å; S234-Q237 PolarHBondContact O-N 2.84Å; S234-I238 VanDerWaalsContact O-CG1 3.27Å; S234-I238 WeakPolarHBondContact O-CG1 3.05Å; S234-I238 PolarHBondContact O-N 3.33Å |
| 235 | L | 76.7 | Confident | 70.7 | Confident | 81 Ų | 81 | 102.9 Ų | 102.9 | 42% | 0.424 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.5 | -89.7 | 97 | 0 | 0 | 0 | 112.6 | I224 I231 Q237 I238 S239 | I224-L235 HydrophobicContact CD1-CD2 4.29Å; I231-L235 HydrophobicContact CB-CD1 4.5Å; I231-L235 HydrophobicContact CG2-CD1 3.24Å; I231-L235 WeakPolarHBondContact O-CD1 3.36Å; I231-L235 PolarHBondContact O-N 3.02Å; L235-Q237 VanDerWaalsContact C-N 3.34Å; L235-I238 PolarHBondContact O-N 3.44Å; L235-S239 VanDerWaalsContact O-CB 3.31Å; L235-S239 WeakPolarHBondContact O-CB 3.45Å; L235-S239 PolarHBondContact O-N 3.12Å |
| 236 | K | 78.9 | Confident | 71.4 | Confident | 135 Ų | 135 | 99.1 Ų | 99.1 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -41.5 | 176.2 | -171.2 | 175.7 | -175.8 | -179.1 | 0 | 110.7 | S232 D233 S239 L240 | S232-K236 WeakPolarHBondContact O-CB 2.97Å; S232-K236 PolarHBondContact O-N 2.73Å; D233-K236 PolarHBondContact O-N 3.17Å; K236-S239 PolarHBondContact O-N 2.76Å; K236-L240 HydrophobicContact CG-CD1 4.27Å; K236-L240 WeakPolarHBondContact O-CB 3.5Å; K236-L240 VanDerWaalsContact O-CG 3.25Å; K236-L240 WeakPolarHBondContact O-CG 3.48Å; K236-L240 PolarHBondContact O-N 3.34Å |
| 237 | Q | 77.5 | Confident | 72.8 | Confident | 108 Ų | 108 | 98.7 Ų | 98.7 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 175.5 | -159.2 | -165.4 | 31.4 | 0 | 0 | 112 | D233 S234 L235 K241 | D233-Q237 WeakPolarHBondContact O-CB 3.44Å; D233-Q237 PolarHBondContact O-N 2.98Å; S234-Q237 PolarHBondContact O-N 2.84Å; L235-Q237 VanDerWaalsContact C-N 3.34Å; Q237-K241 VanDerWaalsContact CD-NZ 3.32Å; Q237-K241 HydrophobicContact CG-CD 4.5Å; Q237-K241 WeakPolarHBondContact O-CB 3.16Å; Q237-K241 VanDerWaalsContact O-CG 3.28Å; Q237-K241 WeakPolarHBondContact O-CG 3.41Å; Q237-K241 PolarHBondContact O-N 3.22Å |
| 238 | I | 76.2 | Confident | 74.1 | Confident | 110 Ų | 110 | 91.7 Ų | 91.7 | 56% | 0.564 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 174.6 | -69.4 | 165.1 | 0 | 0 | 0 | 110.5 | S234 L235 K241 S242 | S234-I238 VanDerWaalsContact O-CG1 3.27Å; S234-I238 WeakPolarHBondContact O-CG1 3.05Å; S234-I238 PolarHBondContact O-N 3.33Å; L235-I238 PolarHBondContact O-N 3.44Å; I238-K241 PolarHBondContact O-N 2.89Å; I238-S242 PolarHBondContact O-N 2.98Å |
| 239 | S | 76.7 | Confident | 75.2 | Confident | 48 Ų | 48 | 85.5 Ų | 85.5 | 34% | 0.336 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | L235 K236 K241 S242 T243 | L235-S239 VanDerWaalsContact O-CB 3.31Å; L235-S239 WeakPolarHBondContact O-CB 3.45Å; L235-S239 PolarHBondContact O-N 3.12Å; K236-S239 PolarHBondContact O-N 2.76Å; S239-K241 VanDerWaalsContact C-N 3.33Å; S239-K241 PolarHBondContact O-N 2.94Å; S239-S242 WeakPolarHBondContact CA-OG 3.45Å; S239-S242 PolarHBondContact O-N 3.45Å; S239-S242 PolarHBondContact O-OG 3.48Å; S239-T243 WeakPolarHBondContact O-CB 3.12Å; S239-T243 VanDerWaalsContact O-CG2 3.31Å; S239-T243 WeakPolarHBondContact O-CG2 3.24Å; S239-T243 PolarHBondContact O-N 2.96Å; S239-T243 PolarHBondContact O-OG1 3.39Å |
| 240 | L | 79.3 | Confident | 76.2 | Confident | 106 Ų | 106 | 81.9 Ų | 81.9 | 56% | 0.555 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.8 | -39.1 | 174.1 | -73.2 | 169.5 | 0 | 0 | 0 | 111.6 | K236 T243 A244 | K236-L240 HydrophobicContact CG-CD1 4.27Å; K236-L240 WeakPolarHBondContact O-CB 3.5Å; K236-L240 VanDerWaalsContact O-CG 3.25Å; K236-L240 WeakPolarHBondContact O-CG 3.48Å; K236-L240 PolarHBondContact O-N 3.34Å; L240-T243 WeakPolarHBondContact CA-OG1 3.18Å; L240-T243 PolarHBondContact O-OG1 2.95Å; L240-A244 VanDerWaalsContact O-CB 3.27Å; L240-A244 WeakPolarHBondContact O-CB 3.22Å; L240-A244 PolarHBondContact O-N 3.27Å |
| 241 | K | 77.7 | Confident | 77.4 | Confident | 127 Ų | 127 | 78.3 Ų | 78.3 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.1 | -38.6 | 175.1 | -74.3 | 170.1 | -177.7 | 166.2 | 0 | 111.9 | Q237 I238 S239 R245 | Q237-K241 VanDerWaalsContact CD-NZ 3.32Å; Q237-K241 HydrophobicContact CG-CD 4.5Å; Q237-K241 WeakPolarHBondContact O-CB 3.16Å; Q237-K241 VanDerWaalsContact O-CG 3.28Å; Q237-K241 WeakPolarHBondContact O-CG 3.41Å; Q237-K241 PolarHBondContact O-N 3.22Å; I238-K241 PolarHBondContact O-N 2.89Å; S239-K241 VanDerWaalsContact C-N 3.33Å; S239-K241 PolarHBondContact O-N 2.94Å; K241-R245 WeakPolarHBondContact O-CB 3.43Å; K241-R245 PolarHBondContact O-N 3.02Å; K241-R245 VanDerWaalsContact O-N 3.16Å |
| 242 | S | 74.5 | Confident | 78.3 | Confident | 54 Ų | 54 | 75 Ų | 75 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.8 | -44.2 | 178.1 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | I238 S239 R245 E246 | I238-S242 PolarHBondContact O-N 2.98Å; S239-S242 WeakPolarHBondContact CA-OG 3.45Å; S239-S242 PolarHBondContact O-N 3.45Å; S239-S242 PolarHBondContact O-OG 3.48Å; S242-R245 WeakPolarHBondContact O-CB 3.5Å; S242-R245 PolarHBondContact O-N 2.81Å; S242-E246 PolarHBondContact O-N 3.43Å |
| 243 | T | 77.9 | Confident | 79.1 | Confident | 53 Ų | 53 | 73 Ų | 73 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | S239 L240 R245 E246 Q247 | S239-T243 WeakPolarHBondContact O-CB 3.12Å; S239-T243 VanDerWaalsContact O-CG2 3.31Å; S239-T243 WeakPolarHBondContact O-CG2 3.24Å; S239-T243 PolarHBondContact O-N 2.96Å; S239-T243 PolarHBondContact O-OG1 3.39Å; L240-T243 WeakPolarHBondContact CA-OG1 3.18Å; L240-T243 PolarHBondContact O-OG1 2.95Å; T243-R245 VanDerWaalsContact C-N 3.27Å; T243-R245 PolarHBondContact O-N 2.82Å; T243-E246 PolarHBondContact O-N 3.34Å; T243-Q247 WeakPolarHBondContact O-CB 3.42Å; T243-Q247 WeakPolarHBondContact O-CG 3.18Å; T243-Q247 PolarHBondContact O-N 3.13Å |
| 244 | A | 78.9 | Confident | 79.7 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L240 R248 | L240-A244 VanDerWaalsContact O-CB 3.27Å; L240-A244 WeakPolarHBondContact O-CB 3.22Å; L240-A244 PolarHBondContact O-N 3.27Å; A244-R248 WeakPolarHBondContact O-CB 3.13Å; A244-R248 PolarHBondContact O-N 3.23Å |
| 245 | R | 73.9 | Confident | 80.4 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 25% | 0.249 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 173.4 | 171.1 | 178.4 | 156.3 | -131.8 | -9.4 | 111.6 | C125 V126 P129 K241 S242 T243 Q247 R248 S249 | C125-R245 PolarHBondContact O-NE 3.03Å; C125-R245 PolarHBondContact O-NH2 3.35Å; V126-R245 PolarHBondContact O-NH2 2.91Å; P129-R245 VanDerWaalsContact CA-NH1 3.33Å; K241-R245 WeakPolarHBondContact O-CB 3.43Å; K241-R245 PolarHBondContact O-N 3.02Å; K241-R245 VanDerWaalsContact O-N 3.16Å; S242-R245 WeakPolarHBondContact O-CB 3.5Å; S242-R245 PolarHBondContact O-N 2.81Å; T243-R245 VanDerWaalsContact C-N 3.27Å; T243-R245 PolarHBondContact O-N 2.82Å; R245-Q247 VanDerWaalsContact C-N 3.35Å; R245-Q247 PolarHBondContact O-N 3.47Å; R245-R248 PolarHBondContact O-N 3.38Å; R245-S249 PolarHBondContact O-N 3.01Å; R245-S249 PolarHBondContact O-OG 3.19Å |
| 246 | E | 75.5 | Confident | 81 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 178.2 | -170.6 | -178.3 | 175.6 | 0 | 0 | 110.9 | M210 N214 S242 T243 R248 S249 A250 | M210-E246 HydrophobicContact CE-CG 3.95Å; N214-E246 PolarHBondContact ND2-OE1 3.25Å; N214-E246 PolarHBondContact OD1-OE1 3.31Å; S242-E246 PolarHBondContact O-N 3.43Å; T243-E246 PolarHBondContact O-N 3.34Å; E246-R248 VanDerWaalsContact C-N 3.32Å; E246-R248 PolarHBondContact O-N 3.31Å; E246-S249 PolarHBondContact O-N 3.3Å; E246-A250 WeakPolarHBondContact O-CB 3.41Å; E246-A250 PolarHBondContact O-N 2.89Å |
| 247 | Q | 81 | Confident | 81.5 | Confident | 118 Ų | 118 | 63.2 Ų | 63.2 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.6 | -40.4 | 175.3 | -71.4 | 179.4 | -5 | 0 | 0 | 112.2 | T243 R245 A250 R251 | T243-Q247 WeakPolarHBondContact O-CB 3.42Å; T243-Q247 WeakPolarHBondContact O-CG 3.18Å; T243-Q247 PolarHBondContact O-N 3.13Å; R245-Q247 VanDerWaalsContact C-N 3.35Å; R245-Q247 PolarHBondContact O-N 3.47Å; Q247-A250 PolarHBondContact O-N 3.31Å; Q247-R251 WeakPolarHBondContact O-CG 2.9Å; Q247-R251 PolarHBondContact O-N 3.14Å; Q247-R251 PolarHBondContact O-NH1 3.02Å |
| 248 | R | 80.6 | Confident | 82.3 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 26% | 0.26 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 175.6 | -178.6 | 179.2 | 177 | -149.2 | -3.4 | 111.5 | V54 A244 R245 E246 A250 R251 V252 | V54-R248 PolarHBondContact O-NH2 2.85Å; A244-R248 WeakPolarHBondContact O-CB 3.13Å; A244-R248 PolarHBondContact O-N 3.23Å; R245-R248 PolarHBondContact O-N 3.38Å; E246-R248 VanDerWaalsContact C-N 3.32Å; E246-R248 PolarHBondContact O-N 3.31Å; R248-A250 VanDerWaalsContact C-N 3.33Å; R248-R251 PolarHBondContact O-N 2.99Å; R248-V252 WeakPolarHBondContact O-CG2 3.28Å; R248-V252 PolarHBondContact O-N 3.21Å; R248-V252 VanDerWaalsContact O-N 3.15Å |
| 249 | S | 79 | Confident | 83 | Confident | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.4 | -69.6 | 0 | 0 | 0 | 0 | 111.2 | R245 E246 R251 V252 L253 | R245-S249 PolarHBondContact O-N 3.01Å; R245-S249 PolarHBondContact O-OG 3.19Å; E246-S249 PolarHBondContact O-N 3.3Å; S249-R251 PolarHBondContact O-N 3.43Å; S249-V252 PolarHBondContact O-N 3.45Å; S249-L253 WeakPolarHBondContact O-CB 2.93Å; S249-L253 PolarHBondContact O-N 3.4Å |
| 250 | A | 84 | Confident | 83.6 | Confident | 40 Ų | 40 | 53 Ų | 53 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M210 E246 Q247 R248 R254 | M210-A250 HydrophobicContact CE-CB 4.21Å; E246-A250 WeakPolarHBondContact O-CB 3.41Å; E246-A250 PolarHBondContact O-N 2.89Å; Q247-A250 PolarHBondContact O-N 3.31Å; R248-A250 VanDerWaalsContact C-N 3.33Å; A250-R254 WeakPolarHBondContact O-CB 3.48Å; A250-R254 PolarHBondContact O-N 2.91Å |
| 251 | R | 85.8 | Confident | 84.2 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 28% | 0.275 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 176.4 | -76.2 | -169.6 | -59 | -88 | 4.5 | 112 | Q247 R248 S249 R254 T255 | Q247-R251 WeakPolarHBondContact O-CG 2.9Å; Q247-R251 PolarHBondContact O-N 3.14Å; Q247-R251 PolarHBondContact O-NH1 3.02Å; R248-R251 PolarHBondContact O-N 2.99Å; S249-R251 PolarHBondContact O-N 3.43Å; R251-R254 PolarHBondContact O-N 3.45Å; R251-T255 PolarHBondContact O-N 3.3Å; R251-T255 VanDerWaalsContact O-N 3.16Å; R251-T255 PolarHBondContact O-OG1 3.45Å |
| 252 | V | 84.2 | Confident | 85 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 16% | 0.158 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -40.4 | 179.8 | -179 | 0 | 0 | 0 | 0 | 110.8 | T57 R122 R248 S249 R254 T255 V256 | T57-V252 HydrophobicContact CG2-CG1 4.32Å; R122-V252 HydrophobicContact CG-CG1 4.01Å; R248-V252 WeakPolarHBondContact O-CG2 3.28Å; R248-V252 PolarHBondContact O-N 3.21Å; R248-V252 VanDerWaalsContact O-N 3.15Å; S249-V252 PolarHBondContact O-N 3.45Å; V252-R254 VanDerWaalsContact C-N 3.31Å; V252-R254 PolarHBondContact O-N 2.75Å; V252-T255 WeakPolarHBondContact O-CB 3.34Å; V252-T255 PolarHBondContact O-N 3.02Å; V252-T255 VanDerWaalsContact O-N 3.16Å; V252-V256 HydrophobicContact CG1-CG2 4.19Å; V252-V256 WeakPolarHBondContact O-CG2 3.26Å; V252-V256 PolarHBondContact O-N 3.45Å |
| 253 | L | 87.8 | Confident | 85.8 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57 | -44.8 | 174.6 | 178.6 | 65.1 | 0 | 0 | 0 | 111.1 | N203 I206 I207 M210 S249 T255 V256 V257 | N203-L253 VanDerWaalsContact OD1-CD1 3.26Å; N203-L253 WeakPolarHBondContact OD1-CD1 3.27Å; I206-L253 HydrophobicContact CB-CD1 4.37Å; I206-L253 HydrophobicContact CD1-CD1 4.11Å; I206-L253 HydrophobicContact CG2-CD1 3.96Å; I206-L253 HydrophobicContact CG2-CD2 3.73Å; I206-L253 HydrophobicContact CG2-CG 4.4Å; I207-L253 HydrophobicContact CG1-CD2 4.36Å; M210-L253 HydrophobicContact SD-CD2 4.03Å; S249-L253 WeakPolarHBondContact O-CB 2.93Å; S249-L253 PolarHBondContact O-N 3.4Å; L253-T255 PolarHBondContact O-N 3.1Å; L253-V256 PolarHBondContact O-N 3.24Å; L253-V257 HydrophobicContact CD1-CG2 3.95Å; L253-V257 HydrophobicContact CG-CG2 4.24Å; L253-V257 WeakPolarHBondContact O-CB 3.3Å; L253-V257 VanDerWaalsContact O-CG2 3.27Å; L253-V257 WeakPolarHBondContact O-CG2 3.38Å; L253-V257 PolarHBondContact O-N 2.75Å |
| 254 | R | 90.6 | Very high | 86.4 | Confident | 123 Ų | 123 | 43.7 Ų | 43.7 | 46% | 0.464 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 175.2 | 179.7 | 175.4 | 59.8 | -162.9 | 2.4 | 111.8 | A250 R251 V252 V257 C258 T316 | A250-R254 WeakPolarHBondContact O-CB 3.48Å; A250-R254 PolarHBondContact O-N 2.91Å; R251-R254 PolarHBondContact O-N 3.45Å; V252-R254 VanDerWaalsContact C-N 3.31Å; V252-R254 PolarHBondContact O-N 2.75Å; R254-V257 PolarHBondContact O-N 2.61Å; R254-C258 WeakPolarHBondContact O-CB 3.18Å; R254-C258 PolarHBondContact O-N 2.82Å; R254-C258 PolarHBondContact O-SG 3.42Å; R254-T316 HydrophobicContact CG-CG2 4.04Å; R254-T316 PolarHBondContact NE-O 3.22Å; R254-T316 PolarHBondContact NH2-O 2.7Å |
| 255 | T | 91.5 | Very high | 87.2 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58 | -49.1 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | R251 V252 L253 C258 M259 I312 Y313 T316 | R251-T255 PolarHBondContact O-N 3.3Å; R251-T255 VanDerWaalsContact O-N 3.16Å; R251-T255 PolarHBondContact O-OG1 3.45Å; V252-T255 WeakPolarHBondContact O-CB 3.34Å; V252-T255 PolarHBondContact O-N 3.02Å; V252-T255 VanDerWaalsContact O-N 3.16Å; L253-T255 PolarHBondContact O-N 3.1Å; T255-C258 PolarHBondContact O-N 3.08Å; T255-M259 HydrophobicContact CG2-CE 3.76Å; T255-M259 HydrophobicContact CG2-SD 4.01Å; T255-M259 VanDerWaalsContact O-CG 3.26Å; T255-M259 WeakPolarHBondContact O-CG 3.32Å; T255-M259 PolarHBondContact O-N 2.77Å; T255-I312 HydrophobicContact CG2-CG2 4.2Å; T255-Y313 HydrophobicContact CG2-CD1 3.8Å; T255-Y313 HydrophobicContact CG2-CE1 3.87Å; T255-T316 WeakPolarHBondContact CB-OG1 3.07Å; T255-T316 WeakPolarHBondContact OG1-CB 3.47Å; T255-T316 PolarHBondContact OG1-OG1 3.43Å |
| 256 | V | 88.7 | Confident | 88.2 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | -178.9 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | I115 L118 C119 V252 L253 M259 T260 | I115-V256 HydrophobicContact CG2-CG1 4.48Å; L118-V256 HydrophobicContact CB-CG2 4.18Å; C119-V256 WeakPolarHBondContact SG-CG1 3.4Å; V252-V256 HydrophobicContact CG1-CG2 4.19Å; V252-V256 WeakPolarHBondContact O-CG2 3.26Å; V252-V256 PolarHBondContact O-N 3.45Å; L253-V256 PolarHBondContact O-N 3.24Å; V256-M259 WeakPolarHBondContact O-CB 3.48Å; V256-M259 PolarHBondContact O-N 2.87Å; V256-T260 WeakPolarHBondContact O-CB 3.47Å; V256-T260 PolarHBondContact O-N 2.89Å; V256-T260 PolarHBondContact O-OG1 3.15Å |
| 257 | V | 90.7 | Very high | 89 | Confident | 44 Ų | 44 | 42.1 Ų | 42.1 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 177 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | L253 R254 T260 I261 | L253-V257 HydrophobicContact CD1-CG2 3.95Å; L253-V257 HydrophobicContact CG-CG2 4.24Å; L253-V257 WeakPolarHBondContact O-CB 3.3Å; L253-V257 VanDerWaalsContact O-CG2 3.27Å; L253-V257 WeakPolarHBondContact O-CG2 3.38Å; L253-V257 PolarHBondContact O-N 2.75Å; R254-V257 PolarHBondContact O-N 2.61Å; V257-T260 WeakPolarHBondContact O-CB 3.45Å; V257-T260 PolarHBondContact O-N 2.94Å; V257-I261 HydrophobicContact CG1-CD1 3.76Å; V257-I261 HydrophobicContact CG1-CG1 4.44Å; V257-I261 VanDerWaalsContact O-CG1 3.3Å; V257-I261 WeakPolarHBondContact O-CG1 3.32Å; V257-I261 PolarHBondContact O-N 2.86Å |
| 258 | C | 93.2 | Very high | 89.6 | Confident | 44 Ų | 44 | 37.7 Ų | 37.7 | 30% | 0.297 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.5 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | R254 T255 T260 I261 S262 I312 T316 | R254-C258 WeakPolarHBondContact O-CB 3.18Å; R254-C258 PolarHBondContact O-N 2.82Å; R254-C258 PolarHBondContact O-SG 3.42Å; T255-C258 PolarHBondContact O-N 3.08Å; C258-T260 VanDerWaalsContact C-N 3.3Å; C258-T260 PolarHBondContact O-N 3.22Å; C258-I261 PolarHBondContact O-N 3.25Å; C258-S262 WeakPolarHBondContact O-CB 3.44Å; C258-S262 PolarHBondContact O-N 2.92Å; C258-S262 PolarHBondContact O-OG 2.92Å; C258-I312 HydrophobicContact CB-CG2 3.69Å; C258-T316 HydrophobicContact CB-CG2 4.21Å |
| 259 | M | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 175.1 | -70.7 | 166.4 | 161.2 | 0 | 0 | 112.3 | M64 I115 T255 V256 S262 H263 H309 I312 Y313 | M64-M259 HydrophobicContact CE-CE 3.7Å; M64-M259 HydrophobicContact CE-SD 4.19Å; I115-M259 HydrophobicContact CD1-CB 4.39Å; T255-M259 HydrophobicContact CG2-CE 3.76Å; T255-M259 HydrophobicContact CG2-SD 4.01Å; T255-M259 VanDerWaalsContact O-CG 3.26Å; T255-M259 WeakPolarHBondContact O-CG 3.32Å; T255-M259 PolarHBondContact O-N 2.77Å; V256-M259 WeakPolarHBondContact O-CB 3.48Å; V256-M259 PolarHBondContact O-N 2.87Å; M259-S262 PolarHBondContact O-N 2.99Å; M259-H263 WeakPolarHBondContact O-CB 3.42Å; M259-H263 PolarHBondContact O-N 3.34Å; M259-H309 HydrophobicContact CE-CB 4.37Å; M259-I312 HydrophobicContact CB-CD1 4.47Å; M259-I312 HydrophobicContact CG-CD1 3.97Å; M259-I312 HydrophobicContact CG-CG2 4.07Å; M259-Y313 HydrophobicContact CE-CD1 3.96Å; M259-Y313 HydrophobicContact CE-CE1 3.04Å; M259-Y313 HydrophobicContact CE-CE2 4.28Å; M259-Y313 WeakPolarHBondContact CE-OH 3.46Å |
| 260 | T | 89.6 | Confident | 90.8 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -52.5 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | I199 V256 V257 C258 S262 H263 F264 | I199-T260 HydrophobicContact CB-CG2 4.14Å; I199-T260 HydrophobicContact CD1-CG2 4.45Å; I199-T260 HydrophobicContact CG2-CG2 3.32Å; I199-T260 VanDerWaalsContact CG2-OG1 3.24Å; I199-T260 WeakPolarHBondContact CG2-OG1 2.99Å; V256-T260 WeakPolarHBondContact O-CB 3.47Å; V256-T260 PolarHBondContact O-N 2.89Å; V256-T260 PolarHBondContact O-OG1 3.15Å; V257-T260 WeakPolarHBondContact O-CB 3.45Å; V257-T260 PolarHBondContact O-N 2.94Å; C258-T260 VanDerWaalsContact C-N 3.3Å; C258-T260 PolarHBondContact O-N 3.22Å; T260-S262 PolarHBondContact O-N 3.12Å; T260-H263 PolarHBondContact O-N 3.5Å; T260-F264 HydrophobicContact CG2-CD2 3.77Å; T260-F264 HydrophobicContact CG2-CE2 3.52Å; T260-F264 WeakPolarHBondContact O-CD2 3.42Å; T260-F264 PolarHBondContact O-N 3.19Å |
| 261 | I | 92.1 | Very high | 91.2 | Very high | 92 Ų | 92 | 34.1 Ų | 34.1 | 47% | 0.472 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 179.9 | -67.7 | 166.9 | 0 | 0 | 0 | 110.2 | V257 C258 H263 F264 L265 | V257-I261 HydrophobicContact CG1-CD1 3.76Å; V257-I261 HydrophobicContact CG1-CG1 4.44Å; V257-I261 VanDerWaalsContact O-CG1 3.3Å; V257-I261 WeakPolarHBondContact O-CG1 3.32Å; V257-I261 PolarHBondContact O-N 2.86Å; C258-I261 PolarHBondContact O-N 3.25Å; I261-H263 PolarHBondContact O-N 3.11Å; I261-F264 PolarHBondContact O-N 3.49Å; I261-L265 HydrophobicContact CG2-CD1 3.62Å; I261-L265 HydrophobicContact CG2-CG 4.22Å; I261-L265 WeakPolarHBondContact O-CB 3.24Å; I261-L265 VanDerWaalsContact O-CG 3.27Å; I261-L265 WeakPolarHBondContact O-CG 2.99Å; I261-L265 PolarHBondContact O-N 3.26Å |
| 262 | S | 93.7 | Very high | 91.5 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 21% | 0.21 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 177.3 | -68.5 | 0 | 0 | 0 | 0 | 112 | C258 M259 T260 L265 L266 | C258-S262 WeakPolarHBondContact O-CB 3.44Å; C258-S262 PolarHBondContact O-N 2.92Å; C258-S262 PolarHBondContact O-OG 2.92Å; M259-S262 PolarHBondContact O-N 2.99Å; T260-S262 PolarHBondContact O-N 3.12Å; S262-L265 PolarHBondContact O-N 2.98Å; S262-L266 WeakPolarHBondContact O-CB 3.43Å; S262-L266 WeakPolarHBondContact O-CD1 3.2Å; S262-L266 WeakPolarHBondContact O-CG 3.33Å; S262-L266 PolarHBondContact O-N 3.4Å |
| 263 | H | 91.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.1 | -56.7 | 176.1 | -179.8 | 80.1 | 0 | 0 | 0 | 110.7 | T112 M259 T260 I261 L265 L266 T267 N305 | T112-H263 PolarHBondContact OG1-CE1 3.35Å; M259-H263 WeakPolarHBondContact O-CB 3.42Å; M259-H263 PolarHBondContact O-N 3.34Å; T260-H263 PolarHBondContact O-N 3.5Å; I261-H263 PolarHBondContact O-N 3.11Å; H263-L265 PolarHBondContact O-N 3.27Å; H263-L266 PolarHBondContact O-N 2.94Å; H263-T267 PolarHBondContact NE2-OG1 2.76Å; H263-T267 VanDerWaalsContact O-CB 3.31Å; H263-T267 WeakPolarHBondContact O-CB 3.31Å; H263-T267 VanDerWaalsContact O-CG2 3.23Å; H263-T267 WeakPolarHBondContact O-CG2 3.45Å; H263-T267 PolarHBondContact O-N 3.46Å; H263-T267 PolarHBondContact O-OG1 3.16Å; H263-N305 WeakPolarHBondContact CA-OD1 3.34Å; H263-N305 PolarHBondContact N-OD1 2.92Å; H263-N305 PolarHBondContact ND1-ND2 3.36Å |
| 264 | F | 90.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 10% | 0.096 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | -177.3 | -68.5 | -61.7 | 0 | 0 | 0 | 113.7 | L196 I199 T260 I261 L266 M268 | L196-F264 HydrophobicContact CB-CD1 4.15Å; L196-F264 HydrophobicContact CB-CE1 3.4Å; L196-F264 HydrophobicContact CB-CE2 4.17Å; L196-F264 HydrophobicContact CB-CZ 3.45Å; L196-F264 VanDerWaalsContact CB-CZ 3.45Å; L196-F264 HydrophobicContact CD1-CD1 3.76Å; L196-F264 HydrophobicContact CD1-CD2 3.49Å; L196-F264 VanDerWaalsContact CD1-CD2 3.49Å; L196-F264 HydrophobicContact CD1-CE1 3.73Å; L196-F264 HydrophobicContact CD1-CE2 3.4Å; L196-F264 HydrophobicContact CD1-CG 3.72Å; L196-F264 HydrophobicContact CD1-CZ 3.58Å; L196-F264 HydrophobicContact CD2-CD1 4.43Å; L196-F264 HydrophobicContact CD2-CE1 4.46Å; L196-F264 HydrophobicContact CG-CD1 4.32Å; L196-F264 HydrophobicContact CG-CE1 4.02Å; L196-F264 HydrophobicContact CG-CE2 4.38Å; L196-F264 HydrophobicContact CG-CZ 4.09Å; I199-F264 HydrophobicContact CD1-CE2 4.39Å; I199-F264 HydrophobicContact CD1-CZ 4.42Å; T260-F264 HydrophobicContact CG2-CD2 3.77Å; T260-F264 HydrophobicContact CG2-CE2 3.52Å; T260-F264 WeakPolarHBondContact O-CD2 3.42Å; T260-F264 PolarHBondContact O-N 3.19Å; I261-F264 PolarHBondContact O-N 3.49Å; F264-L266 PolarHBondContact O-N 3.14Å; F264-M268 HydrophobicContact CB-CG 4.27Å; F264-M268 HydrophobicContact CD1-CE 3.48Å; F264-M268 VanDerWaalsContact CD1-CE 3.48Å; F264-M268 HydrophobicContact CD1-CG 4.26Å; F264-M268 HydrophobicContact CD1-SD 4.05Å; F264-M268 HydrophobicContact CE1-CE 3.99Å; F264-M268 VanDerWaalsContact O-CB 3.22Å; F264-M268 WeakPolarHBondContact O-CB 3.48Å; F264-M268 WeakPolarHBondContact O-CG 3.3Å; F264-M268 PolarHBondContact O-N 3.14Å |
| 265 | L | 94.4 | Very high | 91.6 | Very high | 124 Ų | 124 | 31.9 Ų | 31.9 | 65% | 0.649 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -61.4 | -33.6 | 178.5 | -71.5 | 176.1 | 0 | 0 | 0 | 112.4 | I261 S262 H263 | I261-L265 HydrophobicContact CG2-CD1 3.62Å; I261-L265 HydrophobicContact CG2-CG 4.22Å; I261-L265 WeakPolarHBondContact O-CB 3.24Å; I261-L265 VanDerWaalsContact O-CG 3.27Å; I261-L265 WeakPolarHBondContact O-CG 2.99Å; I261-L265 PolarHBondContact O-N 3.26Å; S262-L265 PolarHBondContact O-N 2.98Å; H263-L265 PolarHBondContact O-N 3.27Å |
| 266 | L | 95.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 36 Ų | 36 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -94 | -24.7 | -175.2 | -66.4 | 173 | 0 | 0 | 0 | 113.5 | S262 H263 F264 L301 Q302 I304 N305 T308 | S262-L266 WeakPolarHBondContact O-CB 3.43Å; S262-L266 WeakPolarHBondContact O-CD1 3.2Å; S262-L266 WeakPolarHBondContact O-CG 3.33Å; S262-L266 PolarHBondContact O-N 3.4Å; H263-L266 PolarHBondContact O-N 2.94Å; F264-L266 PolarHBondContact O-N 3.14Å; L266-L301 WeakPolarHBondContact CB-O 3.48Å; L266-L301 HydrophobicContact CD2-CB 4.43Å; L266-L301 HydrophobicContact CD2-CD2 3.92Å; L266-L301 CarbonylContact O-C 3.27Å; L266-L301 VanDerWaalsContact O-C 3.27Å; L266-L301 WeakPolarHBondContact O-CB 3.31Å; L266-Q302 PolarHBondContact O-N 3.01Å; L266-I304 HydrophobicContact CD1-CG2 4.05Å; L266-I304 HydrophobicContact CD2-CG2 4.29Å; L266-N305 HydrophobicContact CB-CB 3.9Å; L266-N305 HydrophobicContact CD1-CB 4.07Å; L266-T308 HydrophobicContact CD1-CG2 3.52Å |
| 267 | T | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -107.1 | -23.6 | -174.9 | 71.2 | 0 | 0 | 0 | 0 | 114 | Y191 H263 P269 V270 V271 Q302 N305 | Y191-T267 HydrophobicContact CE1-CG2 4.43Å; Y191-T267 WeakPolarHBondContact OH-CB 3.45Å; Y191-T267 WeakPolarHBondContact OH-CG2 3.41Å; H263-T267 PolarHBondContact NE2-OG1 2.76Å; H263-T267 VanDerWaalsContact O-CB 3.31Å; H263-T267 WeakPolarHBondContact O-CB 3.31Å; H263-T267 VanDerWaalsContact O-CG2 3.23Å; H263-T267 WeakPolarHBondContact O-CG2 3.45Å; H263-T267 PolarHBondContact O-N 3.46Å; H263-T267 PolarHBondContact O-OG1 3.16Å; T267-P269 VanDerWaalsContact C-CD 3.46Å; T267-V270 WeakPolarHBondContact O-CG1 3.34Å; T267-V270 PolarHBondContact O-N 3.42Å; T267-V271 WeakPolarHBondContact O-CG2 3.33Å; T267-V271 PolarHBondContact O-N 2.95Å; T267-Q302 HydrophobicContact CG2-CG 4.39Å; T267-N305 HydrophobicContact CG2-CB 3.93Å |
| 268 | M | 92.6 | Very high | 90.5 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | 175.7 | -72.8 | -46.2 | 88 | 0 | 0 | 113.9 | S192 F264 V270 V271 F272 | S192-M268 WeakPolarHBondContact OG-CE 3.2Å; S192-M268 PolarHBondContact OG-SD 2.89Å; F264-M268 HydrophobicContact CB-CG 4.27Å; F264-M268 HydrophobicContact CD1-CE 3.48Å; F264-M268 VanDerWaalsContact CD1-CE 3.48Å; F264-M268 HydrophobicContact CD1-CG 4.26Å; F264-M268 HydrophobicContact CD1-SD 4.05Å; F264-M268 HydrophobicContact CE1-CE 3.99Å; F264-M268 VanDerWaalsContact O-CB 3.22Å; F264-M268 WeakPolarHBondContact O-CB 3.48Å; F264-M268 WeakPolarHBondContact O-CG 3.3Å; F264-M268 PolarHBondContact O-N 3.14Å; M268-V270 VanDerWaalsContact C-N 3.27Å; M268-V270 PolarHBondContact O-N 2.96Å; M268-V271 HydrophobicContact CE-CG2 4.15Å; M268-V271 WeakPolarHBondContact O-CB 3.36Å; M268-V271 PolarHBondContact O-N 3.36Å; M268-V271 VanDerWaalsContact O-N 3.14Å; M268-F272 HydrophobicContact CB-CD2 4.2Å; M268-F272 HydrophobicContact CB-CE2 4.12Å; M268-F272 VanDerWaalsContact O-CD2 3.24Å; M268-F272 WeakPolarHBondContact O-CD2 3.47Å; M268-F272 PolarHBondContact O-N 3.36Å |
| 269 | P | 94.5 | Very high | 89.9 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 29% | 0.286 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.3 | -39.4 | -179.3 | -28.5 | 37.6 | 0 | 0 | 0 | 113.4 | T267 F272 F273 T298 L301 | T267-P269 VanDerWaalsContact C-CD 3.46Å; P269-F272 PolarHBondContact O-N 3.45Å; P269-F273 WeakPolarHBondContact O-CB 3.24Å; P269-F273 PolarHBondContact O-N 3.26Å; P269-T298 HydrophobicContact CB-CG2 3.63Å; P269-L301 HydrophobicContact CB-CD1 4.28Å; P269-L301 HydrophobicContact CG-CD1 4.17Å |
| 270 | V | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.9 | -35 | 178.6 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | M1 T267 M268 F273 Y274 V299 Q302 | M1-V270 HydrophobicContact CG-CB 4.5Å; M1-V270 HydrophobicContact CG-CG1 4.18Å; M1-V270 HydrophobicContact CG-CG2 3.59Å; M1-V270 HydrophobicContact SD-CB 4.18Å; M1-V270 HydrophobicContact SD-CG1 3.37Å; M1-V270 WeakPolarHBondContact SD-CG1 3.27Å; M1-V270 HydrophobicContact SD-CG2 3.89Å; T267-V270 WeakPolarHBondContact O-CG1 3.34Å; T267-V270 PolarHBondContact O-N 3.42Å; M268-V270 VanDerWaalsContact C-N 3.27Å; M268-V270 PolarHBondContact O-N 2.96Å; V270-F273 PolarHBondContact O-N 3.49Å; V270-Y274 HydrophobicContact CG2-CD2 3.67Å; V270-Y274 HydrophobicContact CG2-CE2 3.51Å; V270-Y274 WeakPolarHBondContact O-CD2 3.45Å; V270-Y274 PolarHBondContact O-N 3Å; V270-Y274 VanDerWaalsContact O-N 3.16Å; V270-V299 HydrophobicContact CG2-CG2 4.34Å; V270-Q302 HydrophobicContact CG1-CB 3.93Å; V270-Q302 HydrophobicContact CG1-CG 4.25Å |
| 271 | V | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -50.1 | 172.2 | 176 | 0 | 0 | 0 | 0 | 110.4 | M1 F188 Y191 F193 T267 M268 F273 L275 | M1-V271 HydrophobicContact CE-CB 4.15Å; M1-V271 HydrophobicContact CE-CG2 3.41Å; M1-V271 VanDerWaalsContact CE-CG2 3.41Å; M1-V271 HydrophobicContact SD-CG2 4.08Å; F188-V271 HydrophobicContact CB-CG1 4.11Å; F188-V271 HydrophobicContact CD1-CG1 4.11Å; F188-V271 HydrophobicContact CD2-CG1 4.43Å; F188-V271 HydrophobicContact CG-CG1 3.95Å; Y191-V271 HydrophobicContact CD1-CG2 4.27Å; Y191-V271 HydrophobicContact CE1-CG2 4.43Å; F193-V271 HydrophobicContact CE2-CG1 4.26Å; F193-V271 HydrophobicContact CZ-CG1 4.18Å; T267-V271 WeakPolarHBondContact O-CG2 3.33Å; T267-V271 PolarHBondContact O-N 2.95Å; M268-V271 HydrophobicContact CE-CG2 4.15Å; M268-V271 WeakPolarHBondContact O-CB 3.36Å; M268-V271 PolarHBondContact O-N 3.36Å; M268-V271 VanDerWaalsContact O-N 3.14Å; V271-F273 PolarHBondContact O-N 3.38Å; V271-L275 VanDerWaalsContact O-CB 3.31Å; V271-L275 WeakPolarHBondContact O-CB 3.38Å; V271-L275 PolarHBondContact O-N 3.22Å |
| 272 | F | 91.8 | Very high | 88.2 | Confident | 100 Ų | 100 | 48.3 Ų | 48.3 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.8 | -40 | 180 | -77.7 | -61.8 | 0 | 0 | 0 | 112.4 | M268 P269 L275 F276 | M268-F272 HydrophobicContact CB-CD2 4.2Å; M268-F272 HydrophobicContact CB-CE2 4.12Å; M268-F272 VanDerWaalsContact O-CD2 3.24Å; M268-F272 WeakPolarHBondContact O-CD2 3.47Å; M268-F272 PolarHBondContact O-N 3.36Å; P269-F272 PolarHBondContact O-N 3.45Å; F272-L275 PolarHBondContact O-N 3.18Å; F272-F276 HydrophobicContact CD1-CD2 4.44Å; F272-F276 AromaticContact CD1-CE2 3.84Å; F272-F276 HydrophobicContact CD1-CE2 3.84Å; F272-F276 WeakPolarHBondContact O-CD2 3.35Å; F272-F276 PolarHBondContact O-N 3.44Å |
| 273 | F | 90.4 | Very high | 87.3 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -57.1 | 176.4 | 174.9 | -100.9 | 0 | 0 | 0 | 111.3 | P269 V270 V271 L275 F276 E277 C291 I294 E295 T298 | P269-F273 WeakPolarHBondContact O-CB 3.24Å; P269-F273 PolarHBondContact O-N 3.26Å; V270-F273 PolarHBondContact O-N 3.49Å; V271-F273 PolarHBondContact O-N 3.38Å; F273-L275 VanDerWaalsContact C-N 3.32Å; F273-L275 PolarHBondContact O-N 3.49Å; F273-F276 CarbonylContact O-C 3.6Å; F273-F276 PolarHBondContact O-N 2.9Å; F273-E277 HydrophobicContact CZ-CG 4.33Å; F273-E277 WeakPolarHBondContact O-CB 3.31Å; F273-E277 PolarHBondContact O-N 3.35Å; F273-C291 HydrophobicContact CE2-CB 4.18Å; F273-C291 WeakPolarHBondContact CE2-O 3.41Å; F273-C291 HydrophobicContact CZ-CB 4.46Å; F273-C291 WeakPolarHBondContact CZ-O 3.06Å; F273-I294 HydrophobicContact CB-CG2 4.47Å; F273-I294 HydrophobicContact CD2-CB 4.04Å; F273-I294 HydrophobicContact CD2-CG2 3.47Å; F273-I294 VanDerWaalsContact CD2-CG2 3.47Å; F273-I294 HydrophobicContact CE2-CB 4.12Å; F273-I294 HydrophobicContact CE2-CG2 4.07Å; F273-I294 HydrophobicContact CG-CG2 4.21Å; F273-E295 HydrophobicContact CD1-CB 4.19Å; F273-E295 HydrophobicContact CD1-CG 4.21Å; F273-E295 HydrophobicContact CE1-CB 3.47Å; F273-E295 VanDerWaalsContact CE1-CB 3.47Å; F273-E295 HydrophobicContact CE1-CG 3.57Å; F273-E295 HydrophobicContact CE2-CB 4.3Å; F273-E295 HydrophobicContact CZ-CB 3.54Å; F273-E295 HydrophobicContact CZ-CG 4.14Å; F273-T298 HydrophobicContact CB-CG2 4.43Å |
| 274 | Y | 87 | Confident | 86.6 | Confident | 32 Ų | 32 | 56 Ų | 56 | 13% | 0.125 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.1 | -25.2 | -178.2 | -72.8 | -64.9 | 0 | 0 | 0 | 113.8 | M1 V270 F276 E277 E295 | M1-Y274 HydrophobicContact CG-CD2 4.11Å; M1-Y274 HydrophobicContact CG-CE2 4.2Å; M1-Y274 WeakPolarHBondContact O-CE2 3.4Å; M1-Y274 PolarHBondContact O-OH 2.88Å; V270-Y274 HydrophobicContact CG2-CD2 3.67Å; V270-Y274 HydrophobicContact CG2-CE2 3.51Å; V270-Y274 WeakPolarHBondContact O-CD2 3.45Å; V270-Y274 PolarHBondContact O-N 3Å; V270-Y274 VanDerWaalsContact O-N 3.16Å; Y274-F276 VanDerWaalsContact C-N 3.26Å; Y274-F276 PolarHBondContact O-N 3.44Å; Y274-E277 WeakPolarHBondContact CD1-OE2 3.3Å; Y274-E295 PolarHBondContact OH-OE1 3.38Å |
| 275 | L | 86.8 | Confident | 85.7 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -30.2 | 173.9 | -173.4 | 67.4 | 0 | 0 | 0 | 112.5 | Y185 F188 V271 F272 F273 | Y185-L275 HydrophobicContact CD1-CD1 3.84Å; Y185-L275 HydrophobicContact CE1-CD1 3.58Å; F188-L275 HydrophobicContact CD2-CB 4.46Å; F188-L275 HydrophobicContact CD2-CD1 4.01Å; F188-L275 HydrophobicContact CE2-CB 4.01Å; F188-L275 HydrophobicContact CE2-CD1 3.99Å; V271-L275 VanDerWaalsContact O-CB 3.31Å; V271-L275 WeakPolarHBondContact O-CB 3.38Å; V271-L275 PolarHBondContact O-N 3.22Å; F272-L275 PolarHBondContact O-N 3.18Å; F273-L275 VanDerWaalsContact C-N 3.32Å; F273-L275 PolarHBondContact O-N 3.49Å |
| 276 | F | 86.6 | Confident | 85 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -113.7 | -1.7 | -174.7 | -64.8 | -63.7 | 0 | 0 | 0 | 114.4 | F272 F273 Y274 S278 K279 F280 | F272-F276 HydrophobicContact CD1-CD2 4.44Å; F272-F276 AromaticContact CD1-CE2 3.84Å; F272-F276 HydrophobicContact CD1-CE2 3.84Å; F272-F276 WeakPolarHBondContact O-CD2 3.35Å; F272-F276 PolarHBondContact O-N 3.44Å; F273-F276 CarbonylContact O-C 3.6Å; F273-F276 PolarHBondContact O-N 2.9Å; Y274-F276 VanDerWaalsContact C-N 3.26Å; Y274-F276 PolarHBondContact O-N 3.44Å; F276-S278 VanDerWaalsContact C-N 3.34Å; F276-S278 PolarHBondContact O-N 3.33Å; F276-K279 PolarHBondContact O-N 3.05Å; F276-K279 VanDerWaalsContact O-N 3.13Å; F276-F280 HydrophobicContact CB-CD2 3.65Å; F276-F280 HydrophobicContact CB-CE2 3.78Å; F276-F280 HydrophobicContact CD1-CE2 4.21Å; F276-F280 HydrophobicContact CG-CD2 4.48Å; F276-F280 HydrophobicContact CG-CE2 4.12Å; F276-F280 WeakPolarHBondContact O-CD2 3.39Å; F276-F280 PolarHBondContact O-N 3.38Å; F276-F280 VanDerWaalsContact O-N 3.09Å |
| 277 | E | 82.7 | Confident | 84.3 | Confident | 51 Ų | 51 | 68 Ų | 68 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -54.9 | -46.8 | -178.6 | -177.8 | -172.9 | -168.2 | 0 | 0 | 112.1 | F273 Y274 K279 F280 C281 I282 | F273-E277 HydrophobicContact CZ-CG 4.33Å; F273-E277 WeakPolarHBondContact O-CB 3.31Å; F273-E277 PolarHBondContact O-N 3.35Å; Y274-E277 WeakPolarHBondContact CD1-OE2 3.3Å; E277-K279 PolarHBondContact O-N 3.25Å; E277-F280 PolarHBondContact O-N 3.17Å; E277-C281 HydrophobicContact CG-CB 3.9Å; E277-C281 WeakPolarHBondContact O-CA 3.43Å; E277-C281 VanDerWaalsContact O-CB 3.24Å; E277-C281 WeakPolarHBondContact O-CB 3.39Å; E277-C281 PolarHBondContact O-N 3.33Å; E277-I282 PolarHBondContact O-N 3.44Å |
| 278 | S | 79.6 | Confident | 83.7 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -58.2 | -37.2 | -178.9 | 65 | 0 | 0 | 0 | 0 | 112.3 | F276 | F276-S278 VanDerWaalsContact C-N 3.34Å; F276-S278 PolarHBondContact O-N 3.33Å |
| 279 | K | 80.3 | Confident | 83.1 | Confident | 139 Ų | 139 | 72.2 Ų | 72.2 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | I | π-helix | trans | -80.9 | -36.4 | -175.8 | -173 | 177.6 | -179.4 | -179.9 | 0 | 113.3 | F276 E277 | F276-K279 PolarHBondContact O-N 3.05Å; F276-K279 VanDerWaalsContact O-N 3.13Å; E277-K279 PolarHBondContact O-N 3.25Å |
| 280 | F | 81.3 | Confident | 82.7 | Confident | 116 Ų | 116 | 73.2 Ų | 73.2 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -103.8 | -29.7 | -173.8 | -66.5 | -68.8 | 0 | 0 | 0 | 114.2 | F276 E277 | F276-F280 HydrophobicContact CB-CD2 3.65Å; F276-F280 HydrophobicContact CB-CE2 3.78Å; F276-F280 HydrophobicContact CD1-CE2 4.21Å; F276-F280 HydrophobicContact CG-CD2 4.48Å; F276-F280 HydrophobicContact CG-CE2 4.12Å; F276-F280 WeakPolarHBondContact O-CD2 3.39Å; F276-F280 PolarHBondContact O-N 3.38Å; F276-F280 VanDerWaalsContact O-N 3.09Å; E277-F280 PolarHBondContact O-N 3.17Å |
| 281 | C | 80.9 | Confident | 82.5 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 10% | 0.095 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -104.3 | -40.4 | -170.1 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | E277 C291 | E277-C281 HydrophobicContact CG-CB 3.9Å; E277-C281 WeakPolarHBondContact O-CA 3.43Å; E277-C281 VanDerWaalsContact O-CB 3.24Å; E277-C281 WeakPolarHBondContact O-CB 3.39Å; E277-C281 PolarHBondContact O-N 3.33Å; C281-C291 WeakPolarHBondContact CA-SG 3.28Å; C281-C291 HydrophobicContact CB-CB 3.59Å; C281-C291 WeakPolarHBondContact CB-SG 3.39Å; C281-C291 WeakPolarHBondContact SG-CB 3.38Å; C281-C291 CovalentContact SG-SG 2.03Å; C281-C291 PolarHBondContact SG-SG 3.38Å |
| 282 | I | 74.3 | Confident | 82 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -78.5 | -44.5 | -177.3 | -57.3 | -176 | 0 | 0 | 0 | 110.8 | E277 N284 | E277-I282 PolarHBondContact O-N 3.44Å; I282-N284 VanDerWaalsContact C-N 3.29Å; I282-N284 PolarHBondContact O-N 2.89Å |
| 283 | D | 75.5 | Confident | 81.7 | Confident | 131 Ų | 131 | 72.1 Ų | 72.1 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -75.4 | -16.1 | -176.1 | -67.1 | -21.3 | 0 | 0 | 0 | 113.4 | ||
| 284 | N | 76.9 | Confident | 81.7 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | trans | -128.2 | 98.4 | -172.5 | -160.6 | -19.7 | 0 | 0 | 0 | 113.1 | I282 D286 W287 | I282-N284 VanDerWaalsContact C-N 3.29Å; I282-N284 PolarHBondContact O-N 2.89Å; N284-D286 PolarHBondContact O-N 3.45Å; N284-D286 VanDerWaalsContact O-N 3.16Å; N284-D286 PolarHBondContact OD1-N 3.37Å; N284-W287 PolarHBondContact ND2-NE1 3.15Å; N284-W287 PolarHBondContact O-N 3.06Å; N284-W287 VanDerWaalsContact O-N 3.07Å | ||
| 285 | K | 73 | Confident | 81.8 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -58.2 | -30.3 | -176.1 | -68.4 | -172.2 | 178 | -171.9 | 0 | 114 | W287 I288 | K285-W287 PolarHBondContact O-N 3.34Å; K285-I288 HydrophobicContact CB-CD1 4.19Å; K285-I288 HydrophobicContact CG-CD1 4.34Å; K285-I288 WeakPolarHBondContact O-CD1 3.33Å; K285-I288 WeakPolarHBondContact O-CG1 3.49Å; K285-I288 PolarHBondContact O-N 3.22Å |
| 286 | D | 78.8 | Confident | 81.9 | Confident | 145 Ų | 145 | 73.3 Ų | 73.3 | 78% | 0.775 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -66.8 | -21.4 | -179.3 | -63.9 | -26.4 | 0 | 0 | 0 | 112.6 | N284 | N284-D286 PolarHBondContact O-N 3.45Å; N284-D286 VanDerWaalsContact O-N 3.16Å; N284-D286 PolarHBondContact OD1-N 3.37Å |
| 287 | W | 80.1 | Confident | 82.2 | Confident | 136 Ų | 136 | 71.9 Ų | 71.9 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -96.8 | -2.8 | -175.4 | -71.2 | 77.7 | 0 | 0 | 0 | 114.1 | N284 K285 N289 V290 C291 | N284-W287 PolarHBondContact ND2-NE1 3.15Å; N284-W287 PolarHBondContact O-N 3.06Å; N284-W287 VanDerWaalsContact O-N 3.07Å; K285-W287 PolarHBondContact O-N 3.34Å; W287-N289 PolarHBondContact O-N 3.22Å; W287-V290 HydrophobicContact CE3-CB 4.12Å; W287-V290 HydrophobicContact CE3-CG1 3.99Å; W287-V290 HydrophobicContact CE3-CG2 4.43Å; W287-V290 HydrophobicContact CZ3-CG1 4.18Å; W287-V290 PolarHBondContact O-N 3.48Å; W287-V290 VanDerWaalsContact O-N 3.08Å; W287-C291 WeakPolarHBondContact O-CB 3.48Å; W287-C291 PolarHBondContact O-N 3.35Å; W287-C291 PolarHBondContact O-SG 3.03Å |
| 288 | I | 80 | Confident | 82.7 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55 | -48.6 | -173.8 | -68.1 | 170.3 | 0 | 0 | 0 | 111.6 | K285 V290 C291 D292 | K285-I288 HydrophobicContact CB-CD1 4.19Å; K285-I288 HydrophobicContact CG-CD1 4.34Å; K285-I288 WeakPolarHBondContact O-CD1 3.33Å; K285-I288 WeakPolarHBondContact O-CG1 3.49Å; K285-I288 PolarHBondContact O-N 3.22Å; I288-V290 VanDerWaalsContact C-N 3.33Å; I288-V290 PolarHBondContact O-N 2.9Å; I288-C291 PolarHBondContact O-N 3.15Å; I288-D292 VanDerWaalsContact O-CB 3.3Å; I288-D292 WeakPolarHBondContact O-CB 3.36Å; I288-D292 PolarHBondContact O-N 3.47Å |
| 289 | N | 80.6 | Confident | 83.3 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 35% | 0.348 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | -179 | -69.1 | -12.7 | 0 | 0 | 0 | 112.7 | W287 T293 | W287-N289 PolarHBondContact O-N 3.22Å; N289-T293 PolarHBondContact O-N 2.8Å; N289-T293 VanDerWaalsContact O-N 3.12Å; N289-T293 PolarHBondContact O-OG1 3.29Å |
| 290 | V | 86 | Confident | 83.9 | Confident | 65 Ų | 65 | 61 Ų | 61 | 39% | 0.394 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.4 | -46.4 | 177.4 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | W287 I288 D292 T293 I294 | W287-V290 HydrophobicContact CE3-CB 4.12Å; W287-V290 HydrophobicContact CE3-CG1 3.99Å; W287-V290 HydrophobicContact CE3-CG2 4.43Å; W287-V290 HydrophobicContact CZ3-CG1 4.18Å; W287-V290 PolarHBondContact O-N 3.48Å; W287-V290 VanDerWaalsContact O-N 3.08Å; I288-V290 VanDerWaalsContact C-N 3.33Å; I288-V290 PolarHBondContact O-N 2.9Å; V290-D292 PolarHBondContact O-N 2.86Å; V290-T293 WeakPolarHBondContact O-CB 3.2Å; V290-T293 PolarHBondContact O-N 3.04Å; V290-T293 VanDerWaalsContact O-N 3.12Å; V290-I294 HydrophobicContact CG1-CD1 3.82Å; V290-I294 HydrophobicContact CG1-CG1 4.44Å; V290-I294 WeakPolarHBondContact O-CG1 3.38Å; V290-I294 PolarHBondContact O-N 3.34Å |
| 291 | C | 87.1 | Confident | 84.6 | Confident | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.081 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.8 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | F273 C281 W287 I288 T293 I294 E295 | F273-C291 HydrophobicContact CE2-CB 4.18Å; F273-C291 WeakPolarHBondContact CE2-O 3.41Å; F273-C291 HydrophobicContact CZ-CB 4.46Å; F273-C291 WeakPolarHBondContact CZ-O 3.06Å; C281-C291 WeakPolarHBondContact CA-SG 3.28Å; C281-C291 HydrophobicContact CB-CB 3.59Å; C281-C291 WeakPolarHBondContact CB-SG 3.39Å; C281-C291 WeakPolarHBondContact SG-CB 3.38Å; C281-C291 CovalentContact SG-SG 2.03Å; C281-C291 PolarHBondContact SG-SG 3.38Å; W287-C291 WeakPolarHBondContact O-CB 3.48Å; W287-C291 PolarHBondContact O-N 3.35Å; W287-C291 PolarHBondContact O-SG 3.03Å; I288-C291 PolarHBondContact O-N 3.15Å; C291-T293 PolarHBondContact O-N 3.39Å; C291-I294 PolarHBondContact O-N 2.94Å; C291-I294 VanDerWaalsContact O-N 3.12Å; C291-E295 PolarHBondContact O-N 3.41Å |
| 292 | D | 83.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -29 | 176.4 | -171.9 | 47.6 | 0 | 0 | 0 | 111.9 | K15 I288 V290 R296 | K15-D292 WeakPolarHBondContact CD-OD2 3.43Å; K15-D292 VanDerWaalsContact CE-OD1 3.29Å; K15-D292 WeakPolarHBondContact CE-OD1 3.24Å; K15-D292 IonicContact NZ-OD1 2.76Å; K15-D292 PolarHBondContact NZ-OD1 2.92Å; I288-D292 VanDerWaalsContact O-CB 3.3Å; I288-D292 WeakPolarHBondContact O-CB 3.36Å; I288-D292 PolarHBondContact O-N 3.47Å; V290-D292 PolarHBondContact O-N 2.86Å; D292-R296 VanDerWaalsContact CG-CZ 3.49Å; D292-R296 VanDerWaalsContact CG-NH2 3.34Å; D292-R296 WeakPolarHBondContact O-CG 3.27Å; D292-R296 PolarHBondContact O-N 2.65Å; D292-R296 PolarHBondContact O-NH1 2.93Å; D292-R296 IonicContact OD1-CZ 2.69Å; D292-R296 VanDerWaalsContact OD1-CZ 3.27Å; D292-R296 IonicContact OD1-NH1 3.13Å; D292-R296 PolarHBondContact OD1-NH1 2.04Å; D292-R296 VanDerWaalsContact OD1-NH1 3.13Å; D292-R296 IonicContact OD1-NH2 3.73Å; D292-R296 PolarHBondContact OD1-NH2 3.25Å; D292-R296 IonicContact OD2-CZ 3.31Å; D292-R296 IonicContact OD2-NH1 2.63Å; D292-R296 PolarHBondContact OD2-NH1 2.64Å; D292-R296 IonicContact OD2-NH2 2.79Å; D292-R296 PolarHBondContact OD2-NH2 2.87Å |
| 293 | T | 85.5 | Confident | 86.2 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.8 | -49 | 170.3 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | L20 N289 V290 C291 E295 R296 V297 | L20-T293 WeakPolarHBondContact CD2-OG1 3.43Å; N289-T293 PolarHBondContact O-N 2.8Å; N289-T293 VanDerWaalsContact O-N 3.12Å; N289-T293 PolarHBondContact O-OG1 3.29Å; V290-T293 WeakPolarHBondContact O-CB 3.2Å; V290-T293 PolarHBondContact O-N 3.04Å; V290-T293 VanDerWaalsContact O-N 3.12Å; C291-T293 PolarHBondContact O-N 3.39Å; T293-E295 VanDerWaalsContact C-N 3.32Å; T293-E295 PolarHBondContact O-N 3.4Å; T293-R296 PolarHBondContact O-N 2.87Å; T293-V297 HydrophobicContact CG2-CG2 4.44Å; T293-V297 WeakPolarHBondContact O-CG2 3.48Å; T293-V297 PolarHBondContact O-N 3.18Å |
| 294 | I | 89.8 | Confident | 87.2 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 40% | 0.395 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | -178.1 | -65.4 | 167.7 | 0 | 0 | 0 | 110.1 | F273 V290 C291 R296 V297 T298 | F273-I294 HydrophobicContact CB-CG2 4.47Å; F273-I294 HydrophobicContact CD2-CB 4.04Å; F273-I294 HydrophobicContact CD2-CG2 3.47Å; F273-I294 VanDerWaalsContact CD2-CG2 3.47Å; F273-I294 HydrophobicContact CE2-CB 4.12Å; F273-I294 HydrophobicContact CE2-CG2 4.07Å; F273-I294 HydrophobicContact CG-CG2 4.21Å; V290-I294 HydrophobicContact CG1-CD1 3.82Å; V290-I294 HydrophobicContact CG1-CG1 4.44Å; V290-I294 WeakPolarHBondContact O-CG1 3.38Å; V290-I294 PolarHBondContact O-N 3.34Å; C291-I294 PolarHBondContact O-N 2.94Å; C291-I294 VanDerWaalsContact O-N 3.12Å; I294-R296 PolarHBondContact O-N 2.97Å; I294-V297 PolarHBondContact O-N 2.62Å; I294-T298 HydrophobicContact CG2-CG2 3.94Å; I294-T298 WeakPolarHBondContact O-CB 3.4Å; I294-T298 WeakPolarHBondContact O-CG2 3.34Å; I294-T298 PolarHBondContact O-N 2.89Å; I294-T298 PolarHBondContact O-OG1 3.36Å |
| 295 | E | 88.2 | Confident | 88.1 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.6 | -54.4 | 174.5 | -170.6 | -176.8 | -172.8 | 0 | 0 | 110.6 | F273 Y274 C291 T293 V297 T298 V299 | F273-E295 HydrophobicContact CD1-CB 4.19Å; F273-E295 HydrophobicContact CD1-CG 4.21Å; F273-E295 HydrophobicContact CE1-CB 3.47Å; F273-E295 VanDerWaalsContact CE1-CB 3.47Å; F273-E295 HydrophobicContact CE1-CG 3.57Å; F273-E295 HydrophobicContact CE2-CB 4.3Å; F273-E295 HydrophobicContact CZ-CB 3.54Å; F273-E295 HydrophobicContact CZ-CG 4.14Å; Y274-E295 PolarHBondContact OH-OE1 3.38Å; C291-E295 PolarHBondContact O-N 3.41Å; T293-E295 VanDerWaalsContact C-N 3.32Å; T293-E295 PolarHBondContact O-N 3.4Å; E295-V297 PolarHBondContact O-N 3.25Å; E295-T298 PolarHBondContact O-N 2.98Å; E295-T298 PolarHBondContact O-OG1 3.29Å; E295-V299 HydrophobicContact CG-CG2 4.3Å; E295-V299 WeakPolarHBondContact O-CB 3.06Å; E295-V299 VanDerWaalsContact O-CG2 3.28Å; E295-V299 WeakPolarHBondContact O-CG2 3.38Å; E295-V299 PolarHBondContact O-N 3.3Å |
| 296 | R | 89.3 | Confident | 89.2 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 5% | 0.045 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | -177.5 | -64.7 | -165.8 | -174.4 | 84 | -1.2 | 112.4 | L23 Y24 E87 D292 T293 I294 I300 | L23-R296 HydrophobicContact CD2-CB 3.96Å; Y24-R296 HydrophobicContact CD1-CB 4.2Å; Y24-R296 HydrophobicContact CD1-CG 4.24Å; Y24-R296 HydrophobicContact CD2-CG 4.13Å; Y24-R296 HydrophobicContact CE1-CB 3.68Å; Y24-R296 HydrophobicContact CE1-CG 3.78Å; Y24-R296 HydrophobicContact CE2-CB 4.46Å; Y24-R296 HydrophobicContact CE2-CG 3.64Å; Y24-R296 HydrophobicContact CG-CG 4.42Å; Y24-R296 VanDerWaalsContact CZ-CG 3.46Å; E87-R296 IonicContact OE1-CZ 3.89Å; E87-R296 IonicContact OE1-NH2 3.78Å; E87-R296 PolarHBondContact OE1-NH2 3.37Å; D292-R296 VanDerWaalsContact CG-CZ 3.49Å; D292-R296 VanDerWaalsContact CG-NH2 3.34Å; D292-R296 WeakPolarHBondContact O-CG 3.27Å; D292-R296 PolarHBondContact O-N 2.65Å; D292-R296 PolarHBondContact O-NH1 2.93Å; D292-R296 IonicContact OD1-CZ 2.69Å; D292-R296 VanDerWaalsContact OD1-CZ 3.27Å; D292-R296 IonicContact OD1-NH1 3.13Å; D292-R296 PolarHBondContact OD1-NH1 2.04Å; D292-R296 VanDerWaalsContact OD1-NH1 3.13Å; D292-R296 IonicContact OD1-NH2 3.73Å; D292-R296 PolarHBondContact OD1-NH2 3.25Å; D292-R296 IonicContact OD2-CZ 3.31Å; D292-R296 IonicContact OD2-NH1 2.63Å; D292-R296 PolarHBondContact OD2-NH1 2.64Å; D292-R296 IonicContact OD2-NH2 2.79Å; D292-R296 PolarHBondContact OD2-NH2 2.87Å; T293-R296 PolarHBondContact O-N 2.87Å; I294-R296 PolarHBondContact O-N 2.97Å; R296-I300 WeakPolarHBondContact O-CB 3.01Å; R296-I300 WeakPolarHBondContact O-CD1 3.17Å; R296-I300 VanDerWaalsContact O-CG1 3.26Å; R296-I300 WeakPolarHBondContact O-CG1 3.48Å; R296-I300 PolarHBondContact O-N 3.37Å |
| 297 | V | 92.7 | Very high | 89.9 | Confident | 64 Ų | 64 | 34.8 Ų | 34.8 | 39% | 0.388 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.8 | -48.1 | 177.3 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L23 T293 I294 E295 I300 L301 | L23-V297 HydrophobicContact CD2-CG2 3.91Å; T293-V297 HydrophobicContact CG2-CG2 4.44Å; T293-V297 WeakPolarHBondContact O-CG2 3.48Å; T293-V297 PolarHBondContact O-N 3.18Å; I294-V297 PolarHBondContact O-N 2.62Å; E295-V297 PolarHBondContact O-N 3.25Å; V297-I300 PolarHBondContact O-N 3.2Å; V297-L301 HydrophobicContact CG1-CD1 4.29Å; V297-L301 WeakPolarHBondContact O-CG 3.27Å; V297-L301 PolarHBondContact O-N 3.09Å |
| 298 | T | 93.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.8 | -37.3 | -176.9 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | P269 F273 I294 E295 L301 Q302 | P269-T298 HydrophobicContact CB-CG2 3.63Å; F273-T298 HydrophobicContact CB-CG2 4.43Å; I294-T298 HydrophobicContact CG2-CG2 3.94Å; I294-T298 WeakPolarHBondContact O-CB 3.4Å; I294-T298 WeakPolarHBondContact O-CG2 3.34Å; I294-T298 PolarHBondContact O-N 2.89Å; I294-T298 PolarHBondContact O-OG1 3.36Å; E295-T298 PolarHBondContact O-N 2.98Å; E295-T298 PolarHBondContact O-OG1 3.29Å; T298-L301 PolarHBondContact O-N 3.13Å; T298-Q302 PolarHBondContact O-N 3.47Å |
| 299 | V | 92.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 171.5 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | I2 Q79 V270 E295 Q302 M303 | I2-V299 HydrophobicContact CD1-CG1 3.83Å; I2-V299 HydrophobicContact CG1-CG1 4.16Å; Q79-V299 HydrophobicContact CG-CG1 4.39Å; V270-V299 HydrophobicContact CG2-CG2 4.34Å; E295-V299 HydrophobicContact CG-CG2 4.3Å; E295-V299 WeakPolarHBondContact O-CB 3.06Å; E295-V299 VanDerWaalsContact O-CG2 3.28Å; E295-V299 WeakPolarHBondContact O-CG2 3.38Å; E295-V299 PolarHBondContact O-N 3.3Å; V299-Q302 WeakPolarHBondContact O-CB 3.44Å; V299-Q302 PolarHBondContact O-N 2.83Å; V299-M303 WeakPolarHBondContact O-CG 3.04Å; V299-M303 PolarHBondContact O-N 3.25Å |
| 300 | I | 94.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 25.7 Ų | 25.7 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.4 | -75.3 | 161.9 | 0 | 0 | 0 | 111.2 | L23 Y24 A27 I31 R296 V297 Q302 M303 I304 | L23-I300 HydrophobicContact CD1-CD1 4.05Å; L23-I300 HydrophobicContact CD2-CD1 3.53Å; L23-I300 HydrophobicContact CG-CD1 3.38Å; Y24-I300 HydrophobicContact CD1-CD1 4.01Å; Y24-I300 HydrophobicContact CD1-CG1 4.33Å; Y24-I300 HydrophobicContact CE1-CD1 4.13Å; Y24-I300 HydrophobicContact CE1-CG1 4.13Å; A27-I300 HydrophobicContact CB-CD1 3.7Å; A27-I300 HydrophobicContact CB-CG1 4.16Å; A27-I300 HydrophobicContact CB-CG2 4.11Å; I31-I300 HydrophobicContact CD1-CG2 4.24Å; R296-I300 WeakPolarHBondContact O-CB 3.01Å; R296-I300 WeakPolarHBondContact O-CD1 3.17Å; R296-I300 VanDerWaalsContact O-CG1 3.26Å; R296-I300 WeakPolarHBondContact O-CG1 3.48Å; R296-I300 PolarHBondContact O-N 3.37Å; V297-I300 PolarHBondContact O-N 3.2Å; I300-Q302 VanDerWaalsContact C-N 3.29Å; I300-Q302 PolarHBondContact O-N 2.88Å; I300-M303 PolarHBondContact O-N 3.35Å; I300-M303 VanDerWaalsContact O-N 3.11Å; I300-I304 HydrophobicContact CG2-CD1 3.86Å; I300-I304 HydrophobicContact CG2-CG1 4.34Å; I300-I304 VanDerWaalsContact O-CG1 3.31Å; I300-I304 WeakPolarHBondContact O-CG1 3.33Å; I300-I304 PolarHBondContact O-N 3.47Å |
| 301 | L | 95.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 27.1 Ų | 27.1 | 27% | 0.267 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 174.3 | -69.3 | 172.6 | 0 | 0 | 0 | 111 | L266 P269 V297 T298 M303 I304 N305 | L266-L301 WeakPolarHBondContact CB-O 3.48Å; L266-L301 HydrophobicContact CD2-CB 4.43Å; L266-L301 HydrophobicContact CD2-CD2 3.92Å; L266-L301 CarbonylContact O-C 3.27Å; L266-L301 VanDerWaalsContact O-C 3.27Å; L266-L301 WeakPolarHBondContact O-CB 3.31Å; P269-L301 HydrophobicContact CB-CD1 4.28Å; P269-L301 HydrophobicContact CG-CD1 4.17Å; V297-L301 HydrophobicContact CG1-CD1 4.29Å; V297-L301 WeakPolarHBondContact O-CG 3.27Å; V297-L301 PolarHBondContact O-N 3.09Å; T298-L301 PolarHBondContact O-N 3.13Å; L301-M303 VanDerWaalsContact C-N 3.34Å; L301-M303 PolarHBondContact O-N 3.32Å; L301-I304 WeakPolarHBondContact O-CB 3.31Å; L301-I304 PolarHBondContact O-N 3.44Å; L301-N305 PolarHBondContact O-N 3.22Å; L301-N305 VanDerWaalsContact O-N 3.12Å |
| 302 | Q | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 173.5 | -175.1 | -176.5 | 32 | 0 | 0 | 112 | M1 Y191 L266 T267 V270 T298 V299 I300 I304 N305 H306 | M1-Q302 PolarHBondContact SD-NE2 3.47Å; M1-Q302 VanDerWaalsContact SD-NE2 3.45Å; Y191-Q302 WeakPolarHBondContact OH-CG 3.39Å; Y191-Q302 PolarHBondContact OH-NE2 2.94Å; L266-Q302 PolarHBondContact O-N 3.01Å; T267-Q302 HydrophobicContact CG2-CG 4.39Å; V270-Q302 HydrophobicContact CG1-CB 3.93Å; V270-Q302 HydrophobicContact CG1-CG 4.25Å; T298-Q302 PolarHBondContact O-N 3.47Å; V299-Q302 WeakPolarHBondContact O-CB 3.44Å; V299-Q302 PolarHBondContact O-N 2.83Å; I300-Q302 VanDerWaalsContact C-N 3.29Å; I300-Q302 PolarHBondContact O-N 2.88Å; Q302-I304 PolarHBondContact O-N 2.95Å; Q302-N305 VanDerWaalsContact O-CB 3.23Å; Q302-N305 WeakPolarHBondContact O-CB 3.26Å; Q302-N305 PolarHBondContact O-N 2.93Å; Q302-H306 PolarHBondContact O-CD2 3.37Å |
| 303 | M | 94.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.02 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 177.7 | -66.1 | -57.3 | 90.1 | 0 | 0 | 112.6 | I2 I31 V71 F104 V299 I300 L301 N305 H306 | I2-M303 HydrophobicContact CD1-CE 3.52Å; I2-M303 HydrophobicContact CD1-SD 3.84Å; I2-M303 HydrophobicContact CG1-CE 4.46Å; I31-M303 HydrophobicContact CD1-CB 3.99Å; V71-M303 HydrophobicContact CG1-CE 4.33Å; F104-M303 HydrophobicContact CZ-CE 4.06Å; V299-M303 WeakPolarHBondContact O-CG 3.04Å; V299-M303 PolarHBondContact O-N 3.25Å; I300-M303 PolarHBondContact O-N 3.35Å; I300-M303 VanDerWaalsContact O-N 3.11Å; L301-M303 VanDerWaalsContact C-N 3.34Å; L301-M303 PolarHBondContact O-N 3.32Å; M303-N305 PolarHBondContact O-N 3.48Å; M303-H306 PolarHBondContact O-N 3.13Å |
| 304 | I | 96.1 | Very high | 93.2 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 26% | 0.256 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.4 | -37.8 | 174.6 | -69.9 | 167.1 | 0 | 0 | 0 | 110.3 | I31 L266 I300 L301 Q302 H306 M307 T308 | I31-I304 HydrophobicContact CD1-CG1 3.78Å; I31-I304 HydrophobicContact CG1-CG1 4.23Å; L266-I304 HydrophobicContact CD1-CG2 4.05Å; L266-I304 HydrophobicContact CD2-CG2 4.29Å; I300-I304 HydrophobicContact CG2-CD1 3.86Å; I300-I304 HydrophobicContact CG2-CG1 4.34Å; I300-I304 VanDerWaalsContact O-CG1 3.31Å; I300-I304 WeakPolarHBondContact O-CG1 3.33Å; I300-I304 PolarHBondContact O-N 3.47Å; L301-I304 WeakPolarHBondContact O-CB 3.31Å; L301-I304 PolarHBondContact O-N 3.44Å; Q302-I304 PolarHBondContact O-N 2.95Å; I304-H306 VanDerWaalsContact C-N 3.29Å; I304-H306 PolarHBondContact O-N 3.31Å; I304-M307 PolarHBondContact O-N 2.68Å; I304-T308 HydrophobicContact CG2-CG2 3.98Å; I304-T308 WeakPolarHBondContact O-CG2 3.36Å; I304-T308 PolarHBondContact O-N 3.26Å; I304-T308 VanDerWaalsContact O-N 3.09Å |
| 305 | N | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -50.1 | -49.4 | 176.9 | 179 | 56.4 | 0 | 0 | 0 | 112 | H263 L266 T267 L301 Q302 M303 M307 T308 | H263-N305 WeakPolarHBondContact CA-OD1 3.34Å; H263-N305 PolarHBondContact N-OD1 2.92Å; H263-N305 PolarHBondContact ND1-ND2 3.36Å; L266-N305 HydrophobicContact CB-CB 3.9Å; L266-N305 HydrophobicContact CD1-CB 4.07Å; T267-N305 HydrophobicContact CG2-CB 3.93Å; L301-N305 PolarHBondContact O-N 3.22Å; L301-N305 VanDerWaalsContact O-N 3.12Å; Q302-N305 VanDerWaalsContact O-CB 3.23Å; Q302-N305 WeakPolarHBondContact O-CB 3.26Å; Q302-N305 PolarHBondContact O-N 2.93Å; M303-N305 PolarHBondContact O-N 3.48Å; N305-M307 PolarHBondContact O-N 3.15Å; N305-T308 PolarHBondContact O-N 3.44Å; N305-T308 PolarHBondContact O-OG1 2.9Å |
| 306 | H | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.9 | -19.4 | -177.8 | -66.8 | -74.8 | 0 | 0 | 0 | 113.7 | N39 D68 V71 I72 Q302 M303 I304 | N39-H306 PolarHBondContact ND2-O 3.2Å; D68-H306 HydrophobicContact CB-CB 4.22Å; D68-H306 WeakPolarHBondContact CB-O 3.39Å; D68-H306 IonicContact OD1-CE1 3.37Å; D68-H306 IonicContact OD1-CG 3.09Å; D68-H306 IonicContact OD1-ND1 2.6Å; D68-H306 PolarHBondContact OD1-ND1 2.86Å; V71-H306 HydrophobicContact CG1-CB 4.5Å; I72-H306 HydrophobicContact CD1-CB 4.09Å; I72-H306 HydrophobicContact CG1-CB 3.84Å; Q302-H306 PolarHBondContact O-CD2 3.37Å; M303-H306 PolarHBondContact O-N 3.13Å; I304-H306 VanDerWaalsContact C-N 3.29Å; I304-H306 PolarHBondContact O-N 3.31Å |
| 307 | M | 94.9 | Very high | 93.5 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 11% | 0.108 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -90.1 | -23.3 | 174.3 | 171.3 | 176 | 78.7 | 0 | 0 | 112.6 | I31 I34 I72 I304 N305 H309 F311 | I31-M307 HydrophobicContact CG1-CE 4.47Å; I31-M307 HydrophobicContact CG2-CB 4.36Å; I31-M307 HydrophobicContact CG2-SD 4.26Å; I34-M307 HydrophobicContact CB-SD 3.57Å; I34-M307 VanDerWaalsContact CB-SD 3.57Å; I34-M307 HydrophobicContact CG2-CE 4.48Å; I34-M307 HydrophobicContact CG2-CG 4.24Å; I34-M307 HydrophobicContact CG2-SD 3.45Å; I34-M307 WeakPolarHBondContact CG2-SD 3.04Å; I72-M307 HydrophobicContact CD1-CB 4.01Å; I304-M307 PolarHBondContact O-N 2.68Å; N305-M307 PolarHBondContact O-N 3.15Å; M307-H309 PolarHBondContact O-N 3.44Å; M307-F311 HydrophobicContact CE-CE2 4.47Å; M307-F311 HydrophobicContact CG-CE2 4.02Å; M307-F311 HydrophobicContact SD-CE2 4.49Å |
| 308 | T | 94.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -27.5 | -171.1 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | L266 I304 N305 F310 F311 I312 | L266-T308 HydrophobicContact CD1-CG2 3.52Å; I304-T308 HydrophobicContact CG2-CG2 3.98Å; I304-T308 WeakPolarHBondContact O-CG2 3.36Å; I304-T308 PolarHBondContact O-N 3.26Å; I304-T308 VanDerWaalsContact O-N 3.09Å; N305-T308 PolarHBondContact O-N 3.44Å; N305-T308 PolarHBondContact O-OG1 2.9Å; T308-F310 VanDerWaalsContact C-N 3.31Å; T308-F310 PolarHBondContact O-N 3.45Å; T308-F311 WeakPolarHBondContact O-CB 3.34Å; T308-F311 PolarHBondContact O-N 3.01Å; T308-I312 WeakPolarHBondContact O-CG1 3.32Å; T308-I312 PolarHBondContact O-N 3.03Å |
| 309 | H | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56 | -41.8 | -173.3 | -66.9 | 158.3 | 0 | 0 | 0 | 113.1 | D68 M259 M307 F311 I312 Y313 | D68-H309 IonicContact OD2-CE1 3.73Å; D68-H309 PolarHBondContact OD2-CE1 2.69Å; D68-H309 VanDerWaalsContact OD2-CE1 3.31Å; D68-H309 IonicContact OD2-CG 3.18Å; D68-H309 IonicContact OD2-ND1 3.4Å; D68-H309 PolarHBondContact OD2-ND1 2.77Å; M259-H309 HydrophobicContact CE-CB 4.37Å; M307-H309 PolarHBondContact O-N 3.44Å; H309-F311 VanDerWaalsContact C-N 3.32Å; H309-F311 PolarHBondContact O-N 3.34Å; H309-I312 PolarHBondContact O-N 2.81Å; H309-Y313 HydrophobicContact CB-CE2 3.78Å; H309-Y313 WeakPolarHBondContact O-CD2 2.94Å; H309-Y313 WeakPolarHBondContact O-CE2 2.99Å; H309-Y313 VanDerWaalsContact O-CG 3.26Å; H309-Y313 PolarHBondContact O-N 3.12Å |
| 310 | F | 91.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 28.3 Ų | 28.3 | 18% | 0.175 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54 | -46.8 | 174.7 | 172.6 | -99.6 | 0 | 0 | 0 | 112.6 | G38 L41 S42 T308 Y313 S314 F320 | G38-F310 VanDerWaalsContact O-CD2 3.31Å; G38-F310 WeakPolarHBondContact O-CD2 3.22Å; L41-F310 HydrophobicContact CD2-CE2 4.17Å; S42-F310 WeakPolarHBondContact OG-CD2 3.4Å; T308-F310 VanDerWaalsContact C-N 3.31Å; T308-F310 PolarHBondContact O-N 3.45Å; F310-Y313 PolarHBondContact O-N 3.02Å; F310-S314 PolarHBondContact O-N 3.29Å; F310-S314 VanDerWaalsContact O-N 3.1Å; F310-S314 PolarHBondContact O-OG 3.46Å; F310-F320 HydrophobicContact CD2-CE1 4.48Å; F310-F320 HydrophobicContact CD2-CZ 4.08Å; F310-F320 HydrophobicContact CE2-CE1 4.26Å; F310-F320 HydrophobicContact CE2-CZ 4.08Å |
| 311 | F | 93.9 | Very high | 93 | Very high | 96 Ų | 96 | 31 Ų | 31 | 42% | 0.421 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.9 | -41.2 | 178.7 | -60.5 | -74.3 | 0 | 0 | 0 | 111.3 | I34 M307 T308 H309 Y313 S314 C315 | I34-F311 HydrophobicContact CG2-CE2 4.05Å; I34-F311 HydrophobicContact CG2-CZ 3.69Å; M307-F311 HydrophobicContact CE-CE2 4.47Å; M307-F311 HydrophobicContact CG-CE2 4.02Å; M307-F311 HydrophobicContact SD-CE2 4.49Å; T308-F311 WeakPolarHBondContact O-CB 3.34Å; T308-F311 PolarHBondContact O-N 3.01Å; H309-F311 VanDerWaalsContact C-N 3.32Å; H309-F311 PolarHBondContact O-N 3.34Å; F311-Y313 PolarHBondContact O-N 2.93Å; F311-S314 WeakPolarHBondContact O-CB 3.34Å; F311-S314 PolarHBondContact O-N 3.12Å; F311-C315 PolarHBondContact O-N 2.85Å; F311-C315 PolarHBondContact O-SG 3.48Å; F311-C315 VanDerWaalsContact O-SG 3.41Å |
| 312 | I | 94.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.2 | -64 | 171.4 | 0 | 0 | 0 | 110.6 | T255 C258 M259 T308 H309 S314 C315 T316 | T255-I312 HydrophobicContact CG2-CG2 4.2Å; C258-I312 HydrophobicContact CB-CG2 3.69Å; M259-I312 HydrophobicContact CB-CD1 4.47Å; M259-I312 HydrophobicContact CG-CD1 3.97Å; M259-I312 HydrophobicContact CG-CG2 4.07Å; T308-I312 WeakPolarHBondContact O-CG1 3.32Å; T308-I312 PolarHBondContact O-N 3.03Å; H309-I312 PolarHBondContact O-N 2.81Å; I312-S314 VanDerWaalsContact C-N 3.32Å; I312-S314 PolarHBondContact O-N 2.03Å; I312-C315 PolarHBondContact O-N 3.39Å; I312-T316 HydrophobicContact CG2-CG2 4.03Å; I312-T316 VanDerWaalsContact O-CB 3.29Å; I312-T316 WeakPolarHBondContact O-CB 3.45Å; I312-T316 WeakPolarHBondContact O-CG2 3.48Å; I312-T316 PolarHBondContact O-N 3Å; I312-T316 PolarHBondContact O-OG1 3.43Å |
| 313 | Y | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 176 | -60.7 | -49.7 | 0 | 0 | 0 | 112 | W46 I61 M64 T255 M259 H309 F310 F311 C315 T316 S317 F320 | W46-Y313 AromaticContact CZ2-CD1 3.92Å; W46-Y313 HydrophobicContact CZ2-CD1 3.92Å; W46-Y313 HydrophobicContact CZ2-CE1 4.23Å; W46-Y313 HydrophobicContact CZ2-CG 4.46Å; W46-Y313 AromaticContact NE1-CD1 3.85Å; W46-Y313 AromaticContact NE1-CD2 3.79Å; W46-Y313 AromaticContact NE1-CE1 3.87Å; W46-Y313 AromaticContact NE1-CE2 3.87Å; W46-Y313 AromaticContact NE1-CG 3.82Å; W46-Y313 AromaticContact NE1-CZ 3.94Å; I61-Y313 HydrophobicContact CD1-CE1 4.14Å; I61-Y313 HydrophobicContact CG2-CE1 3.85Å; I61-Y313 HydrophobicContact CG2-CE2 4.12Å; I61-Y313 VanDerWaalsContact CG2-CZ 3.45Å; I61-Y313 WeakPolarHBondContact CG2-OH 3.33Å; M64-Y313 WeakPolarHBondContact CE-OH 3.47Å; T255-Y313 HydrophobicContact CG2-CD1 3.8Å; T255-Y313 HydrophobicContact CG2-CE1 3.87Å; M259-Y313 HydrophobicContact CE-CD1 3.96Å; M259-Y313 HydrophobicContact CE-CE1 3.04Å; M259-Y313 HydrophobicContact CE-CE2 4.28Å; M259-Y313 WeakPolarHBondContact CE-OH 3.46Å; H309-Y313 HydrophobicContact CB-CE2 3.78Å; H309-Y313 WeakPolarHBondContact O-CD2 2.94Å; H309-Y313 WeakPolarHBondContact O-CE2 2.99Å; H309-Y313 VanDerWaalsContact O-CG 3.26Å; H309-Y313 PolarHBondContact O-N 3.12Å; F310-Y313 PolarHBondContact O-N 3.02Å; F311-Y313 PolarHBondContact O-N 2.93Å; Y313-C315 VanDerWaalsContact C-N 3.3Å; Y313-C315 PolarHBondContact O-N 3.48Å; Y313-T316 PolarHBondContact O-N 2.91Å; Y313-S317 WeakPolarHBondContact O-CB 3.32Å; Y313-S317 PolarHBondContact O-N 3.18Å; Y313-F320 HydrophobicContact CD2-CE2 4.31Å; Y313-F320 HydrophobicContact CG-CD2 4.35Å; Y313-F320 HydrophobicContact CG-CE2 4.45Å |
| 314 | S | 91.7 | Very high | 92.7 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -39.4 | -179.9 | -59 | 0 | 0 | 0 | 0 | 112.1 | F310 F311 I312 F320 | F310-S314 PolarHBondContact O-N 3.29Å; F310-S314 VanDerWaalsContact O-N 3.1Å; F310-S314 PolarHBondContact O-OG 3.46Å; F311-S314 WeakPolarHBondContact O-CB 3.34Å; F311-S314 PolarHBondContact O-N 3.12Å; I312-S314 VanDerWaalsContact C-N 3.32Å; I312-S314 PolarHBondContact O-N 2.03Å; S314-F320 WeakPolarHBondContact OG-CE1 3.4Å |
| 315 | C | 91.9 | Very high | 92.6 | Very high | 112 Ų | 112 | 34.4 Ų | 34.4 | 76% | 0.757 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -84.2 | -32.3 | -179.8 | -64.6 | 0 | 0 | 0 | 0 | 113.7 | F311 I312 Y313 | F311-C315 PolarHBondContact O-N 2.85Å; F311-C315 PolarHBondContact O-SG 3.48Å; F311-C315 VanDerWaalsContact O-SG 3.41Å; I312-C315 PolarHBondContact O-N 3.39Å; Y313-C315 VanDerWaalsContact C-N 3.3Å; Y313-C315 PolarHBondContact O-N 3.48Å |
| 316 | T | 91 | Very high | 92.4 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -103.2 | -20.2 | -169.5 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | R254 T255 C258 I312 Y313 | R254-T316 HydrophobicContact CG-CG2 4.04Å; R254-T316 PolarHBondContact NE-O 3.22Å; R254-T316 PolarHBondContact NH2-O 2.7Å; T255-T316 WeakPolarHBondContact CB-OG1 3.07Å; T255-T316 WeakPolarHBondContact OG1-CB 3.47Å; T255-T316 PolarHBondContact OG1-OG1 3.43Å; C258-T316 HydrophobicContact CB-CG2 4.21Å; I312-T316 HydrophobicContact CG2-CG2 4.03Å; I312-T316 VanDerWaalsContact O-CB 3.29Å; I312-T316 WeakPolarHBondContact O-CB 3.45Å; I312-T316 WeakPolarHBondContact O-CG2 3.48Å; I312-T316 PolarHBondContact O-N 3Å; I312-T316 PolarHBondContact O-OG1 3.43Å; Y313-T316 PolarHBondContact O-N 2.91Å |
| 317 | S | 89.8 | Confident | 92.1 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | trans | -118.9 | 102.2 | -174.4 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | Y313 V319 F320 L321 | Y313-S317 WeakPolarHBondContact O-CB 3.32Å; Y313-S317 PolarHBondContact O-N 3.18Å; S317-V319 PolarHBondContact O-N 3.01Å; S317-F320 WeakPolarHBondContact O-CB 3.31Å; S317-F320 PolarHBondContact O-N 3.36Å; S317-F320 VanDerWaalsContact O-N 3.13Å; S317-F320 WeakPolarHBondContact OG-CB 3.35Å; S317-F320 PolarHBondContact OG-N 3.44Å; S317-F320 VanDerWaalsContact OG-N 3.13Å; S317-L321 PolarHBondContact O-N 2.89Å | ||
| 318 | S | 89.4 | Confident | 91.7 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.9 | -28.5 | 172.5 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | S322 | S318-S322 WeakPolarHBondContact O-CB 3.29Å; S318-S322 PolarHBondContact O-N 3.43Å |
| 319 | V | 88.8 | Confident | 91.3 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | S317 S322 D323 | S317-V319 PolarHBondContact O-N 3.01Å; V319-S322 PolarHBondContact O-N 3.48Å; V319-D323 PolarHBondContact O-N 2.99Å |
| 320 | F | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 175.9 | 179.8 | -93.9 | 0 | 0 | 0 | 110.9 | S42 I45 W46 F310 Y313 S314 S317 S322 D323 L324 | S42-F320 WeakPolarHBondContact OG-CE2 3.47Å; S42-F320 VanDerWaalsContact OG-CZ 3.29Å; S42-F320 WeakPolarHBondContact OG-CZ 3.38Å; I45-F320 HydrophobicContact CB-CD2 4.41Å; I45-F320 HydrophobicContact CB-CE2 4.15Å; I45-F320 HydrophobicContact CD1-CD2 4.2Å; I45-F320 HydrophobicContact CD1-CE2 3.59Å; I45-F320 HydrophobicContact CD1-CZ 3.76Å; I45-F320 HydrophobicContact CG1-CE2 4.48Å; I45-F320 HydrophobicContact CG2-CD2 3.82Å; I45-F320 HydrophobicContact CG2-CE2 4.07Å; W46-F320 AromaticContact CE2-CD2 4Å; W46-F320 HydrophobicContact CZ2-CB 4.41Å; W46-F320 HydrophobicContact CZ2-CD2 4.27Å; W46-F320 AromaticContact NE1-CD2 3.64Å; W46-F320 AromaticContact NE1-CE2 3.91Å; F310-F320 HydrophobicContact CD2-CE1 4.48Å; F310-F320 HydrophobicContact CD2-CZ 4.08Å; F310-F320 HydrophobicContact CE2-CE1 4.26Å; F310-F320 HydrophobicContact CE2-CZ 4.08Å; Y313-F320 HydrophobicContact CD2-CE2 4.31Å; Y313-F320 HydrophobicContact CG-CD2 4.35Å; Y313-F320 HydrophobicContact CG-CE2 4.45Å; S314-F320 WeakPolarHBondContact OG-CE1 3.4Å; S317-F320 WeakPolarHBondContact O-CB 3.31Å; S317-F320 PolarHBondContact O-N 3.36Å; S317-F320 VanDerWaalsContact O-N 3.13Å; S317-F320 WeakPolarHBondContact OG-CB 3.35Å; S317-F320 PolarHBondContact OG-N 3.44Å; S317-F320 VanDerWaalsContact OG-N 3.13Å; F320-S322 VanDerWaalsContact C-N 3.33Å; F320-S322 PolarHBondContact O-N 2.7Å; F320-D323 PolarHBondContact O-N 3.19Å; F320-L324 HydrophobicContact CE1-CD2 4.15Å; F320-L324 WeakPolarHBondContact O-CB 3.47Å; F320-L324 PolarHBondContact O-N 3.39Å |
| 321 | L | 92.2 | Very high | 89.2 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | -179.3 | -172.5 | 63.2 | 0 | 0 | 0 | 112.5 | S317 L324 N325 | S317-L321 PolarHBondContact O-N 2.89Å; L321-L324 HydrophobicContact CD1-CD2 4.46Å; L321-L324 PolarHBondContact O-N 3.2Å; L321-N325 WeakPolarHBondContact O-CB 3.1Å; L321-N325 PolarHBondContact O-N 3.11Å; L321-N325 PolarHBondContact O-ND2 2.86Å |
| 322 | S | 92.5 | Very high | 87.1 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | S318 V319 F320 R326 | S318-S322 WeakPolarHBondContact O-CB 3.29Å; S318-S322 PolarHBondContact O-N 3.43Å; V319-S322 PolarHBondContact O-N 3.48Å; F320-S322 VanDerWaalsContact C-N 3.33Å; F320-S322 PolarHBondContact O-N 2.7Å; S322-R326 PolarHBondContact O-N 3.05Å |
| 323 | D | 92.8 | Very high | 84.7 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.032 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.9 | -39.3 | 178.1 | -74.2 | -17.9 | 0 | 0 | 0 | 112.7 | I45 R49 V319 F320 N325 R326 L327 | I45-D323 HydrophobicContact CG2-CB 3.85Å; R49-D323 IonicContact CZ-OD1 2.8Å; R49-D323 IonicContact CZ-OD2 3.48Å; R49-D323 IonicContact NE-OD2 3.22Å; R49-D323 PolarHBondContact NE-OD2 3.39Å; R49-D323 IonicContact NH2-OD1 2.64Å; R49-D323 PolarHBondContact NH2-OD1 3.04Å; R49-D323 IonicContact NH2-OD2 3.08Å; R49-D323 PolarHBondContact NH2-OD2 3.1Å; V319-D323 PolarHBondContact O-N 2.99Å; F320-D323 PolarHBondContact O-N 3.19Å; D323-N325 VanDerWaalsContact C-N 3.31Å; D323-N325 PolarHBondContact O-N 3.37Å; D323-R326 WeakPolarHBondContact O-CB 3.48Å; D323-R326 PolarHBondContact O-N 2.93Å; D323-R326 VanDerWaalsContact O-N 3.15Å; D323-R326 IonicContact OD1-CZ 3.36Å; D323-R326 IonicContact OD1-NH1 3.63Å; D323-R326 IonicContact OD1-NH2 2.72Å; D323-R326 PolarHBondContact OD1-NH2 2.99Å; D323-L327 WeakPolarHBondContact O-CG 3.44Å; D323-L327 PolarHBondContact O-N 3.3Å |
| 324 | L | 92.9 | Very high | 82.1 | Confident | 22 Ų | 22 | 77.2 Ų | 77.2 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 173.1 | 178.3 | 61.7 | 0 | 0 | 0 | 110.2 | L41 I45 F320 L321 R326 L327 C328 | L41-L324 HydrophobicContact CD1-CD1 4.42Å; L41-L324 HydrophobicContact CD2-CD1 3.45Å; L41-L324 VanDerWaalsContact CD2-CD1 3.45Å; L41-L324 HydrophobicContact CG-CD1 4.07Å; I45-L324 HydrophobicContact CD1-CB 4.13Å; I45-L324 HydrophobicContact CD1-CD1 4.2Å; F320-L324 HydrophobicContact CE1-CD2 4.15Å; F320-L324 WeakPolarHBondContact O-CB 3.47Å; F320-L324 PolarHBondContact O-N 3.39Å; L321-L324 HydrophobicContact CD1-CD2 4.46Å; L321-L324 PolarHBondContact O-N 3.2Å; L324-R326 VanDerWaalsContact C-N 3.29Å; L324-R326 PolarHBondContact O-N 2.63Å; L324-L327 WeakPolarHBondContact O-CB 3.36Å; L324-L327 PolarHBondContact O-N 2.65Å; L324-L327 VanDerWaalsContact O-N 3.13Å; L324-C328 PolarHBondContact O-N 3.34Å; L324-C328 PolarHBondContact O-SG 3.12Å; L324-C328 VanDerWaalsContact O-SG 3.33Å |
| 325 | N | 92.8 | Very high | 79.6 | Confident | 78 Ų | 78 | 81 Ų | 81 | 42% | 0.417 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 176.2 | -73.7 | -22.9 | 0 | 0 | 0 | 112.4 | L321 D323 C328 K329 | L321-N325 WeakPolarHBondContact O-CB 3.1Å; L321-N325 PolarHBondContact O-N 3.11Å; L321-N325 PolarHBondContact O-ND2 2.86Å; D323-N325 VanDerWaalsContact C-N 3.31Å; D323-N325 PolarHBondContact O-N 3.37Å; N325-C328 PolarHBondContact O-N 2.86Å; N325-K329 WeakPolarHBondContact O-CB 3.2Å; N325-K329 VanDerWaalsContact O-CG 3.27Å; N325-K329 WeakPolarHBondContact O-CG 3.3Å; N325-K329 PolarHBondContact O-N 3.29Å |
| 326 | R | 91.2 | Very high | 77.1 | Confident | 136 Ų | 136 | 81.2 Ų | 81.2 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 175.2 | -174.3 | 175.9 | 63.4 | -145.4 | -11.1 | 111.9 | S322 D323 L324 K329 N330 | S322-R326 PolarHBondContact O-N 3.05Å; D323-R326 WeakPolarHBondContact O-CB 3.48Å; D323-R326 PolarHBondContact O-N 2.93Å; D323-R326 VanDerWaalsContact O-N 3.15Å; D323-R326 IonicContact OD1-CZ 3.36Å; D323-R326 IonicContact OD1-NH1 3.63Å; D323-R326 IonicContact OD1-NH2 2.72Å; D323-R326 PolarHBondContact OD1-NH2 2.99Å; L324-R326 VanDerWaalsContact C-N 3.29Å; L324-R326 PolarHBondContact O-N 2.63Å; R326-K329 PolarHBondContact O-N 2.76Å; R326-N330 VanDerWaalsContact O-CB 3.27Å; R326-N330 WeakPolarHBondContact O-CB 3.28Å; R326-N330 PolarHBondContact O-N 3.13Å |
| 327 | L | 89.4 | Confident | 74.6 | Confident | 34 Ų | 34 | 87.8 Ų | 87.8 | 18% | 0.178 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 175 | -70.8 | 175.3 | 0 | 0 | 0 | 111.3 | L41 I45 D323 L324 K329 N330 H331 | L41-L327 HydrophobicContact CD1-CD1 3.82Å; I45-L327 HydrophobicContact CD1-CD1 3.95Å; I45-L327 HydrophobicContact CG1-CD1 3.44Å; I45-L327 VanDerWaalsContact CG1-CD1 3.44Å; D323-L327 WeakPolarHBondContact O-CG 3.44Å; D323-L327 PolarHBondContact O-N 3.3Å; L324-L327 WeakPolarHBondContact O-CB 3.36Å; L324-L327 PolarHBondContact O-N 2.65Å; L324-L327 VanDerWaalsContact O-N 3.13Å; L327-K329 PolarHBondContact O-N 3.33Å; L327-N330 PolarHBondContact O-N 3.4Å; L327-H331 PolarHBondContact O-N 3.4Å; L327-H331 VanDerWaalsContact O-N 3.11Å |
| 328 | C | 88.2 | Confident | 72.3 | Confident | 82 Ų | 82 | 92.2 Ų | 92.2 | 55% | 0.554 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -38.9 | 177.4 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | L324 N325 H331 | L324-C328 PolarHBondContact O-N 3.34Å; L324-C328 PolarHBondContact O-SG 3.12Å; L324-C328 VanDerWaalsContact O-SG 3.33Å; N325-C328 PolarHBondContact O-N 2.86Å; C328-H331 CarbonylContact O-C 3.47Å |
| 329 | K | 86.6 | Confident | 70.2 | Confident | 168 Ų | 168 | 94.1 Ų | 94.1 | 73% | 0.73 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.8 | -34.6 | 178 | -74.4 | 179.6 | 179.6 | -172.4 | 0 | 113.5 | N325 R326 L327 H331 P332 | N325-K329 WeakPolarHBondContact O-CB 3.2Å; N325-K329 VanDerWaalsContact O-CG 3.27Å; N325-K329 WeakPolarHBondContact O-CG 3.3Å; N325-K329 PolarHBondContact O-N 3.29Å; R326-K329 PolarHBondContact O-N 2.76Å; L327-K329 PolarHBondContact O-N 3.33Å; K329-H331 VanDerWaalsContact C-N 3.32Å; K329-P332 WeakPolarHBondContact O-CD 3.44Å |
| 330 | N | 76.7 | Confident | 67.8 | Low | 118 Ų | 118 | 98.7 Ų | 98.7 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -81.1 | -13 | 179.4 | -69.7 | -2.2 | 0 | 0 | 0 | 113 | R326 L327 P332 | R326-N330 VanDerWaalsContact O-CB 3.27Å; R326-N330 WeakPolarHBondContact O-CB 3.28Å; R326-N330 PolarHBondContact O-N 3.13Å; L327-N330 PolarHBondContact O-N 3.4Å; N330-P332 VanDerWaalsContact O-CD 3.29Å; N330-P332 WeakPolarHBondContact O-CD 3.23Å |
| 331 | H | 63.1 | Low | 65.2 | Low | 155 Ų | 155 | 103.8 Ų | 103.8 | 72% | 0.718 | 56% | 0.563 | S | S | * | * | trans | -111 | 69.6 | 166.9 | -96.1 | -82.3 | 0 | 0 | 0 | 110 | L327 C328 K329 L333 | L327-H331 PolarHBondContact O-N 3.4Å; L327-H331 VanDerWaalsContact O-N 3.11Å; C328-H331 CarbonylContact O-C 3.47Å; K329-H331 VanDerWaalsContact C-N 3.32Å; H331-L333 PolarHBondContact O-N 3.24Å | ||
| 332 | P | 48.3 | Very low | 62.9 | Low | 73 Ų | 73 | 106.3 Ų | 106.3 | 47% | 0.474 | 58% | 0.582 | S | S | . | * | trans | -55.7 | 122.4 | 156.4 | 27.2 | -29.4 | 0 | 0 | 0 | 105.6 | K329 N330 K334 | K329-P332 WeakPolarHBondContact O-CD 3.44Å; N330-P332 VanDerWaalsContact O-CD 3.29Å; N330-P332 WeakPolarHBondContact O-CD 3.23Å; P332-K334 VanDerWaalsContact C-N 3.28Å; P332-K334 PolarHBondContact O-N 3.08Å | ||
| 333 | L | 44.6 | Very low | 60.5 | Low | 150 Ų | 150 | 108.8 Ų | 108.8 | 79% | 0.785 | 59% | 0.59 | S | S | * | * | trans | -48.4 | 101.1 | 166.5 | -84.4 | 134.6 | 0 | 0 | 0 | 106.6 | H331 C335 | H331-L333 PolarHBondContact O-N 3.24Å; L333-C335 PolarHBondContact O-N 3.48Å | ||
| 334 | K | 39.1 | Very low | 58 | Low | 177 Ų | 177 | 112.1 Ų | 112.1 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -64.2 | 4 | 176.8 | -86.4 | -172.7 | 175 | -177.2 | 0 | 112.3 | P332 C336 | P332-K334 VanDerWaalsContact C-N 3.28Å; P332-K334 PolarHBondContact O-N 3.08Å; K334-C336 VanDerWaalsContact C-N 3.26Å; K334-C336 PolarHBondContact O-N 3.07Å |
| 335 | C | 39.5 | Very low | 55.3 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 73% | 0.73 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -64.6 | -22.7 | 172.7 | -78.5 | 0 | 0 | 0 | 0 | 114.3 | L333 | L333-C335 PolarHBondContact O-N 3.48Š|
| 336 | C | 38.5 | Very low | 52.7 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -114 | 9.9 | -176.9 | -68 | 0 | 0 | 0 | 0 | 115.8 | K334 | K334-C336 VanDerWaalsContact C-N 3.26Å; K334-C336 PolarHBondContact O-N 3.07Å |
| 337 | Q | 37.7 | Very low | 50.4 | Low | 145 Ų | 145 | 122.3 Ų | 122.3 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -105.2 | 8.9 | 175.1 | -81.5 | -170.5 | -17.1 | 0 | 0 | 114.9 | V339 | Q337-V339 VanDerWaalsContact C-N 3.28Å; Q337-V339 PolarHBondContact O-N 3.16Å |
| 338 | S | 41.3 | Very low | 48 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -90.8 | 30.5 | 167.9 | 80.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 339 | V | 45.7 | Very low | 45.6 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -146.9 | 110.7 | 162.5 | -170.1 | 0 | 0 | 0 | 0 | 106.8 | Q337 | Q337-V339 VanDerWaalsContact C-N 3.28Å; Q337-V339 PolarHBondContact O-N 3.16Å |
| 340 | N | 38.3 | Very low | 43.3 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 116.7 | 32.4 | 172.2 | -61.1 | -14 | 0 | 0 | 0 | 118.7 | ||
| 341 | T | 38.5 | Very low | 41.5 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | trans | -121.1 | 21.6 | 159.9 | 35.9 | 0 | 0 | 0 | 0 | 115.1 | N343 | T341-N343 VanDerWaalsContact C-N 3.34Š| ||
| 342 | T | 43 | Very low | 40.2 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 77% | 0.767 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -80.6 | -14.7 | 162 | -27.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 343 | N | 41.5 | Very low | 39.6 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -100 | -8.9 | -174.7 | -107.4 | -5.6 | 0 | 0 | 0 | 116.5 | T341 | T341-N343 VanDerWaalsContact C-N 3.34Š|
| 344 | T | 41.2 | Very low | 39.5 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 46% | 0.46 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -93.6 | -14.4 | 179.8 | -1.4 | 0 | 0 | 0 | 0 | 114.2 | L346 | T344-L346 PolarHBondContact O-N 3.47Š|
| 345 | R | 36.3 | Very low | 39.3 | Very low | 221 Ų | 221 | 119.8 Ų | 119.8 | 83% | 0.834 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -17.4 | 170 | -88.3 | -172.9 | 179.1 | -179.7 | 0.3 | 113.5 | T349 | R345-T349 PolarHBondContact O-OG1 3.27Š|
| 346 | L | 37.6 | Very low | 38.9 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 67% | 0.665 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -26.4 | 176.5 | -99.2 | 140.2 | 0 | 0 | 0 | 113.2 | T344 | T344-L346 PolarHBondContact O-N 3.47Š|
| 347 | I | 43.2 | Very low | 38.7 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 52% | 0.523 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -82.9 | -35.4 | -174.8 | -60.1 | 176.3 | 0 | 0 | 0 | 111.9 | T349 C350 | I347-T349 VanDerWaalsContact C-N 3.34Å; I347-T349 PolarHBondContact O-N 3.32Å; I347-C350 PolarHBondContact O-N 3.25Å |
| 348 | N | 38.2 | Very low | 38.3 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 57% | 0.572 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77.8 | -18 | -178 | -73.6 | -0.4 | 0 | 0 | 0 | 114.1 | C350 | N348-C350 VanDerWaalsContact C-N 3.33Å |
| 349 | T | 39.7 | Very low | 37.7 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 55% | 0.552 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.4 | -26.6 | 174.1 | -29.6 | 0 | 0 | 0 | 0 | 111.6 | R345 I347 | R345-T349 PolarHBondContact O-OG1 3.27Å; I347-T349 VanDerWaalsContact C-N 3.34Å; I347-T349 PolarHBondContact O-N 3.32Å |
| 350 | C | 37.6 | Very low | 36.7 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 60% | 0.595 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.3 | -34.4 | 176 | -94 | 0 | 0 | 0 | 0 | 113.2 | I347 N348 | I347-C350 PolarHBondContact O-N 3.25Å; N348-C350 VanDerWaalsContact C-N 3.33Å |
| 351 | N | 37.8 | Very low | 36.4 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 54% | 0.54 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -76.3 | -27.6 | -176.1 | -73.1 | -5.4 | 0 | 0 | 0 | 113.4 | L353 | N351-L353 VanDerWaalsContact C-N 3.31Å; N351-L353 PolarHBondContact O-N 2.84Å |
| 352 | N | 35.8 | Very low | 36 | Very low | 135 Ų | 135 | 123 Ų | 123 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -4.9 | 179.6 | -74.5 | -10.9 | 0 | 0 | 0 | 114.4 | ||
| 353 | L | 37.4 | Very low | 35.4 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -9.8 | 175.3 | -96.5 | 152.3 | 0 | 0 | 0 | 113.2 | N351 S356 | N351-L353 VanDerWaalsContact C-N 3.31Å; N351-L353 PolarHBondContact O-N 2.84Å; L353-S356 PolarHBondContact O-OG 3.08Å |
| 354 | V | 40.7 | Very low | 35 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -26.3 | -179.3 | -179 | 0 | 0 | 0 | 0 | 112.2 | S356 | V354-S356 VanDerWaalsContact C-N 3.33Å; V354-S356 PolarHBondContact O-N 2.98Å |
| 355 | D | 35.2 | Very low | 34.5 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -90.3 | 6.7 | -178.8 | -70.5 | -23 | 0 | 0 | 0 | 114 | H357 | D355-H357 VanDerWaalsContact C-N 3.26Å; D355-H357 PolarHBondContact O-N 2.98Å |
| 356 | S | 31.3 | Very low | 34.3 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 54% | 0.538 | 72% | 0.717 | S | S | . | * | trans | -82.3 | 68.5 | 169.3 | 58 | 0 | 0 | 0 | 0 | 111.5 | L353 V354 | L353-S356 PolarHBondContact O-OG 3.08Å; V354-S356 VanDerWaalsContact C-N 3.33Å; V354-S356 PolarHBondContact O-N 2.98Å | ||
| 357 | H | 34.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -136.5 | 127.6 | 154.6 | -84.9 | -65 | 0 | 0 | 0 | 110 | D355 | D355-H357 VanDerWaalsContact C-N 3.26Å; D355-H357 PolarHBondContact O-N 2.98Å | ||
| 358 | T | 29.6 | Very low | 33.9 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | 77.2 | 69.2 | 171.8 | 59.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 359 | V | 28.8 | Very low | 33.7 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -130.5 | 108 | 138.1 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | C361 | V359-C361 PolarHBondContact O-N 2.66Š| ||
| 360 | N | 25.2 | Very low | 33.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -69.5 | 113.5 | 161.2 | -86.7 | -20.4 | 0 | 0 | 0 | 108.5 | ||||
| 361 | C | 31.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -114.3 | 100.4 | 157 | -93.6 | 0 | 0 | 0 | 0 | 108 | V359 | V359-C361 PolarHBondContact O-N 2.66Š| ||
| 362 | S | 29.9 | Very low | 32.8 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -65.5 | 131.7 | 165 | 40.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 363 | Q | 29.7 | Very low | 32.7 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | 64 | 103.2 | 145 | -63.8 | -179.9 | -16.1 | 0 | 0 | 119 | ||||
| 364 | A | 34.7 | Very low | 32.3 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | trans | -124.9 | 129.5 | 135.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 365 | S | 29 | Very low | 31.7 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -78.6 | 165 | -163.3 | 42.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 366 | P | 33.9 | Very low | 31.4 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 84% | 0.836 | S | S | * | * | trans | -93.4 | 141.5 | -177.1 | 35.6 | -30.1 | 0 | 0 | 0 | 113.3 | ||||
| 367 | I | 38.4 | Very low | 31.4 | Very low | 245 Ų | 245 | 146.5 Ų | 146.5 | 100% | 1.256 | 86% | 0.863 | S | S | * | * | trans | -140.4 | 0 | 134.7 | -63.2 | -173.1 | 0 | 0 | 0 | 106.7 |
Retrieved 367 of 367 residues in 77 ms
(Link to these results)