| 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 | 57 | Low | 61.7 | Low | 136 Ų | 136 | 94.5 Ų | 94.5 | 67% | 0.67 | 52% | 0.516 | S | S | * | . | 0 | -54.9 | 0 | -126.2 | 178.6 | 108.7 | 0 | 0 | 115 | E4 S5 I19 I23 | M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.34Å; M1-S5 PolarHBondContact O-OG 3.49Å; M1-I19 HydrophobicContact CE-CG2 4.29Å; M1-I23 HydrophobicContact CE-CD1 4.17Å | |||
| 2 | V | 52.5 | Low | 63.2 | Low | 18 Ų | 18 | 91.7 Ų | 91.7 | 11% | 0.109 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -44.9 | 175.5 | -180 | 0 | 0 | 0 | 0 | 112.2 | E4 S5 Q6 T15 I16 I19 L30 V34 | V2-E4 VanDerWaalsContact C-N 3.31Å; V2-E4 PolarHBondContact O-N 3.28Å; V2-S5 PolarHBondContact O-N 3.04Å; V2-Q6 PolarHBondContact O-N 2.84Å; V2-T15 HydrophobicContact CG1-CG2 4.13Å; V2-I16 HydrophobicContact CG1-CG1 4.22Å; V2-I19 HydrophobicContact CB-CD1 4.46Å; V2-I19 HydrophobicContact CG2-CD1 3.99Å; V2-I19 HydrophobicContact CG2-CG2 4.35Å; V2-L30 HydrophobicContact CG2-CD1 4.21Å; V2-L30 HydrophobicContact CG2-CD2 4.08Å; V2-L30 HydrophobicContact CG2-CG 4.35Å; V2-V34 HydrophobicContact CB-CG2 4.19Å; V2-V34 HydrophobicContact CG1-CG2 3.9Å; V2-V34 HydrophobicContact CG2-CG2 4.33Å |
| 3 | L | 57 | Low | 64.8 | Low | 82 Ų | 82 | 93.5 Ų | 93.5 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -35.7 | 176.9 | -69.8 | 167.4 | 0 | 0 | 0 | 112.2 | S5 Q6 | L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.37Å; L3-Q6 PolarHBondContact O-N 3.04Å |
| 4 | E | 59.6 | Low | 66.2 | Low | 158 Ų | 158 | 89.1 Ų | 89.1 | 74% | 0.738 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -69 | -30.6 | 177.9 | -68.7 | 170.9 | 142.3 | 0 | 0 | 112.8 | M1 V2 | M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.34Å; V2-E4 VanDerWaalsContact C-N 3.31Å; V2-E4 PolarHBondContact O-N 3.28Å |
| 5 | S | 58.3 | Low | 67.5 | Low | 29 Ų | 29 | 83.1 Ų | 83.1 | 20% | 0.203 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -89.2 | -0.9 | 179 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | M1 V2 L3 G7 E8 Y9 | M1-S5 PolarHBondContact O-OG 3.49Å; V2-S5 PolarHBondContact O-N 3.04Å; L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.37Å; S5-G7 PolarHBondContact O-N 3.06Å; S5-E8 PolarHBondContact O-N 3.2Å; S5-E8 VanDerWaalsContact O-N 3.07Å; S5-Y9 WeakPolarHBondContact O-CD2 2.98Å |
| 6 | Q | 57.8 | Low | 68.8 | Low | 73 Ų | 73 | 78.2 Ų | 78.2 | 34% | 0.341 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -62.4 | -24.8 | 179.4 | -79.4 | -167.4 | -62.9 | 0 | 0 | 113.1 | V2 L3 E8 Y9 Q12 | V2-Q6 PolarHBondContact O-N 2.84Å; L3-Q6 PolarHBondContact O-N 3.04Å; Q6-E8 VanDerWaalsContact C-N 3.29Å; Q6-E8 PolarHBondContact O-N 3.22Å; Q6-Y9 VanDerWaalsContact O-O 3.14Å; Q6-Q12 HydrophobicContact CG-CG 4.46Å; Q6-Q12 VanDerWaalsContact NE2-CB 3.31Å |
| 7 | G | 59.3 | Low | 69.9 | Low | 82 Ų | 82 | 76.4 Ų | 76.4 | 85% | 0.845 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -72.9 | -18.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S5 | S5-G7 PolarHBondContact O-N 3.06Š|
| 8 | E | 64.7 | Low | 70.8 | Confident | 153 Ų | 153 | 74.4 Ų | 74.4 | 72% | 0.715 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -94.4 | -9.9 | -176.6 | -98.9 | 163.3 | 71.2 | 0 | 0 | 113.7 | S5 Q6 | S5-E8 PolarHBondContact O-N 3.2Å; S5-E8 VanDerWaalsContact O-N 3.07Å; Q6-E8 VanDerWaalsContact C-N 3.29Å; Q6-E8 PolarHBondContact O-N 3.22Å |
| 9 | Y | 62.2 | Low | 71.7 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 32% | 0.318 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -132.3 | 143 | -176.2 | -62.2 | -90.6 | 0 | 0 | 0 | 111.1 | S5 Q6 S11 T15 | S5-Y9 WeakPolarHBondContact O-CD2 2.98Å; Q6-Y9 VanDerWaalsContact O-O 3.14Å; Y9-S11 PolarHBondContact O-N 3.31Å; Y9-T15 WeakPolarHBondContact CB-OG1 3.12Å; Y9-T15 HydrophobicContact CD2-CG2 4.1Å |
| 10 | D | 72 | Confident | 72.5 | Confident | 173 Ų | 173 | 67.4 Ų | 67.4 | 93% | 0.925 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -59.2 | -23.3 | -174.3 | -160.6 | -101.9 | 0 | 0 | 0 | 114.1 | ||
| 11 | S | 78.8 | Confident | 73.3 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -151.1 | 150.9 | 177.2 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | Y9 W13 A14 T15 | Y9-S11 PolarHBondContact O-N 3.31Å; S11-W13 PolarHBondContact O-N 2.95Å; S11-W13 VanDerWaalsContact O-N 3.12Å; S11-A14 WeakPolarHBondContact O-CA 3.48Å; S11-A14 WeakPolarHBondContact O-CB 3.37Å; S11-A14 PolarHBondContact O-N 3.23Å; S11-A14 WeakPolarHBondContact OG-CB 3.46Å; S11-A14 PolarHBondContact OG-N 3.16Å; S11-T15 PolarHBondContact O-N 2.78Å; S11-T15 PolarHBondContact O-OG1 2.98Å |
| 12 | Q | 79.7 | Confident | 74.8 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -54.3 | -32.9 | 174.6 | -164.8 | 175.3 | 33 | 0 | 0 | 112 | Q6 T15 I16 E38 | Q6-Q12 HydrophobicContact CG-CG 4.46Å; Q6-Q12 VanDerWaalsContact NE2-CB 3.31Å; Q12-T15 WeakPolarHBondContact O-CB 3.43Å; Q12-T15 PolarHBondContact O-N 3.5Å; Q12-I16 HydrophobicContact CG-CD1 4.22Å; Q12-I16 WeakPolarHBondContact O-CB 3.45Å; Q12-I16 WeakPolarHBondContact O-CD1 3.49Å; Q12-I16 WeakPolarHBondContact O-CG1 3.48Å; Q12-I16 PolarHBondContact O-N 3.09Å; Q12-E38 PolarHBondContact NE2-OE1 3.07Å |
| 13 | W | 84 | Confident | 76.4 | Confident | 116 Ų | 116 | 73.2 Ų | 73.2 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 174.7 | -177.5 | -110.9 | 0 | 0 | 0 | 112.5 | S11 T15 I16 C17 P27 R31 | S11-W13 PolarHBondContact O-N 2.95Å; S11-W13 VanDerWaalsContact O-N 3.12Å; W13-T15 VanDerWaalsContact C-N 3.31Å; W13-T15 PolarHBondContact O-N 3.1Å; W13-I16 HydrophobicContact CE3-CG2 4.32Å; W13-I16 HydrophobicContact CZ3-CG2 4.29Å; W13-I16 PolarHBondContact O-N 2.85Å; W13-C17 VanDerWaalsContact CE2-SG 3.52Å; W13-C17 WeakPolarHBondContact O-CB 3.48Å; W13-C17 PolarHBondContact O-N 3.2Å; W13-C17 PolarHBondContact O-SG 2.94Å; W13-P27 HydrophobicContact CH2-CB 4Å; W13-P27 HydrophobicContact CZ3-CB 4.37Å; W13-R31 HydrophobicContact CZ3-CB 4.24Å; W13-R31 HydrophobicContact CZ3-CG 4.41Å |
| 14 | A | 84.2 | Confident | 77.9 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 26% | 0.256 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S11 S18 | S11-A14 WeakPolarHBondContact O-CA 3.48Å; S11-A14 WeakPolarHBondContact O-CB 3.37Å; S11-A14 PolarHBondContact O-N 3.23Å; S11-A14 WeakPolarHBondContact OG-CB 3.46Å; S11-A14 PolarHBondContact OG-N 3.16Å; A14-S18 WeakPolarHBondContact O-CB 3.15Å; A14-S18 PolarHBondContact O-N 3.45Å; A14-S18 PolarHBondContact O-OG 3.3Å |
| 15 | T | 85.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 172.4 | -42.6 | 0 | 0 | 0 | 0 | 111.1 | V2 Y9 S11 Q12 W13 S18 I19 | V2-T15 HydrophobicContact CG1-CG2 4.13Å; Y9-T15 WeakPolarHBondContact CB-OG1 3.12Å; Y9-T15 HydrophobicContact CD2-CG2 4.1Å; S11-T15 PolarHBondContact O-N 2.78Å; S11-T15 PolarHBondContact O-OG1 2.98Å; Q12-T15 WeakPolarHBondContact O-CB 3.43Å; Q12-T15 PolarHBondContact O-N 3.5Å; W13-T15 VanDerWaalsContact C-N 3.31Å; W13-T15 PolarHBondContact O-N 3.1Å; T15-S18 PolarHBondContact O-N 3.45Å; T15-I19 HydrophobicContact CG2-CD1 3.65Å; T15-I19 HydrophobicContact CG2-CG1 4.46Å; T15-I19 WeakPolarHBondContact O-CB 3.4Å; T15-I19 VanDerWaalsContact O-CG1 3.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.31Å; T15-I19 PolarHBondContact O-N 2.94Å |
| 16 | I | 87.3 | Confident | 80.9 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 178.9 | -74.5 | 163.1 | 0 | 0 | 0 | 111.2 | V2 Q12 W13 S18 I19 A20 P27 L30 R31 V34 | V2-I16 HydrophobicContact CG1-CG1 4.22Å; Q12-I16 HydrophobicContact CG-CD1 4.22Å; Q12-I16 WeakPolarHBondContact O-CB 3.45Å; Q12-I16 WeakPolarHBondContact O-CD1 3.49Å; Q12-I16 WeakPolarHBondContact O-CG1 3.48Å; Q12-I16 PolarHBondContact O-N 3.09Å; W13-I16 HydrophobicContact CE3-CG2 4.32Å; W13-I16 HydrophobicContact CZ3-CG2 4.29Å; W13-I16 PolarHBondContact O-N 2.85Å; I16-S18 VanDerWaalsContact C-N 3.26Å; I16-S18 PolarHBondContact O-N 3.06Å; I16-I19 PolarHBondContact O-N 2.88Å; I16-A20 WeakPolarHBondContact O-CB 3.44Å; I16-A20 PolarHBondContact O-N 3.33Å; I16-P27 HydrophobicContact CG2-CB 4.05Å; I16-P27 WeakPolarHBondContact CG2-O 3.38Å; I16-L30 HydrophobicContact CG2-CB 4.13Å; I16-L30 HydrophobicContact CG2-CD2 4.25Å; I16-L30 HydrophobicContact CG2-CG 4.36Å; I16-R31 HydrophobicContact CD1-CB 4.03Å; I16-R31 HydrophobicContact CD1-CG 4.03Å; I16-R31 HydrophobicContact CG2-CB 4.43Å; I16-V34 HydrophobicContact CD1-CG2 4.48Å; I16-V34 HydrophobicContact CG1-CG2 4.49Å |
| 17 | C | 87.6 | Confident | 82.5 | Confident | 47 Ų | 47 | 67.3 Ų | 67.3 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.3 | -32.9 | 178.4 | -76 | 0 | 0 | 0 | 0 | 112.9 | W13 P21 | W13-C17 VanDerWaalsContact CE2-SG 3.52Å; W13-C17 WeakPolarHBondContact O-CB 3.48Å; W13-C17 PolarHBondContact O-N 3.2Å; W13-C17 PolarHBondContact O-SG 2.94Å; C17-P21 WeakPolarHBondContact O-CD 3.4Å; C17-P21 WeakPolarHBondContact O-CG 3.46Å |
| 18 | S | 86.8 | Confident | 84 | Confident | 42 Ų | 42 | 70 Ų | 70 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -78.9 | -32.6 | 179.5 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | A14 T15 I16 | A14-S18 WeakPolarHBondContact O-CB 3.15Å; A14-S18 PolarHBondContact O-N 3.45Å; A14-S18 PolarHBondContact O-OG 3.3Å; T15-S18 PolarHBondContact O-N 3.45Å; I16-S18 VanDerWaalsContact C-N 3.26Å; I16-S18 PolarHBondContact O-N 3.06Å |
| 19 | I | 87.3 | Confident | 85.2 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -88.6 | -37.1 | -177.1 | -65.6 | 176.2 | 0 | 0 | 0 | 112 | M1 V2 T15 I16 K22 I23 L30 | M1-I19 HydrophobicContact CE-CG2 4.29Å; V2-I19 HydrophobicContact CB-CD1 4.46Å; V2-I19 HydrophobicContact CG2-CD1 3.99Å; V2-I19 HydrophobicContact CG2-CG2 4.35Å; T15-I19 HydrophobicContact CG2-CD1 3.65Å; T15-I19 HydrophobicContact CG2-CG1 4.46Å; T15-I19 WeakPolarHBondContact O-CB 3.4Å; T15-I19 VanDerWaalsContact O-CG1 3.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.31Å; T15-I19 PolarHBondContact O-N 2.94Å; I16-I19 PolarHBondContact O-N 2.88Å; I19-K22 WeakPolarHBondContact O-CA 3.46Å; I19-K22 WeakPolarHBondContact O-CB 3.39Å; I19-K22 PolarHBondContact O-N 3.12Å; I19-I23 HydrophobicContact CG2-CD1 3.47Å; I19-I23 VanDerWaalsContact CG2-CD1 3.47Å; I19-I23 HydrophobicContact CG2-CG1 4Å; I19-I23 PolarHBondContact O-N 3.04Å; I19-L30 HydrophobicContact CB-CD2 4.08Å; I19-L30 HydrophobicContact CG2-CD2 3.96Å |
| 20 | A | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -49.8 | -50.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | I16 K22 I23 G24 C25 P27 L30 | I16-A20 WeakPolarHBondContact O-CB 3.44Å; I16-A20 PolarHBondContact O-N 3.33Å; A20-K22 VanDerWaalsContact C-N 3.28Å; A20-K22 PolarHBondContact O-N 3.22Å; A20-I23 PolarHBondContact O-N 3.47Å; A20-G24 PolarHBondContact O-N 3.07Å; A20-C25 CarbonylContact C-O 3.27Å; A20-C25 VanDerWaalsContact C-O 3.27Å; A20-C25 WeakPolarHBondContact CB-O 3.41Å; A20-C25 PolarHBondContact O-N 3.27Å; A20-C25 VanDerWaalsContact O-O 3.07Å; A20-P27 HydrophobicContact CB-CB 4.26Å; A20-P27 HydrophobicContact CB-CG 4.07Å; A20-L30 HydrophobicContact CB-CB 4.42Å; A20-L30 HydrophobicContact CB-CD2 4.12Å |
| 21 | P | 87.9 | Confident | 87.4 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.3 | -27.1 | 177.2 | 24.1 | -32.3 | 0 | 0 | 0 | 113.3 | C17 I23 G24 | C17-P21 WeakPolarHBondContact O-CD 3.4Å; C17-P21 WeakPolarHBondContact O-CG 3.46Å; P21-I23 VanDerWaalsContact C-N 3.31Å; P21-I23 PolarHBondContact O-N 3.3Å; P21-G24 PolarHBondContact O-N 3.2Å |
| 22 | K | 88.8 | Confident | 87.9 | Confident | 159 Ų | 159 | 60.1 Ų | 60.1 | 69% | 0.691 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70.3 | -28.9 | 177.1 | -61.9 | -179.1 | -177.8 | 179.7 | 0 | 112.6 | I19 A20 | I19-K22 WeakPolarHBondContact O-CA 3.46Å; I19-K22 WeakPolarHBondContact O-CB 3.39Å; I19-K22 PolarHBondContact O-N 3.12Å; A20-K22 VanDerWaalsContact C-N 3.28Å; A20-K22 PolarHBondContact O-N 3.22Å |
| 23 | I | 86.4 | Confident | 88.4 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -94.6 | -9.4 | 179 | -55 | -179.9 | 0 | 0 | 0 | 111 | M1 I19 A20 P21 | M1-I23 HydrophobicContact CE-CD1 4.17Å; I19-I23 HydrophobicContact CG2-CD1 3.47Å; I19-I23 VanDerWaalsContact CG2-CD1 3.47Å; I19-I23 HydrophobicContact CG2-CG1 4Å; I19-I23 PolarHBondContact O-N 3.04Å; A20-I23 PolarHBondContact O-N 3.47Å; P21-I23 VanDerWaalsContact C-N 3.31Å; P21-I23 PolarHBondContact O-N 3.3Å |
| 24 | G | 89.7 | Confident | 88.5 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 74% | 0.742 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 25.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A20 P21 | A20-G24 PolarHBondContact O-N 3.07Å; P21-G24 PolarHBondContact O-N 3.2Å |
| 25 | C | 90.4 | Very high | 88.5 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 19% | 0.189 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -115.1 | 164.4 | 175.4 | 66 | 0 | 0 | 0 | 0 | 111.3 | A20 | A20-C25 CarbonylContact C-O 3.27Å; A20-C25 VanDerWaalsContact C-O 3.27Å; A20-C25 WeakPolarHBondContact CB-O 3.41Å; A20-C25 PolarHBondContact O-N 3.27Å; A20-C25 VanDerWaalsContact O-O 3.07Å |
| 26 | T | 90.6 | Very high | 88.4 | Confident | 75 Ų | 75 | 65.9 Ų | 65.9 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | trans | -77.2 | 149.8 | 174.4 | 75.3 | 0 | 0 | 0 | 0 | 110.7 | E28 T29 L30 | T26-E28 PolarHBondContact O-N 2.92Å; T26-T29 WeakPolarHBondContact O-CB 3.4Å; T26-T29 PolarHBondContact O-N 2.98Å; T26-T29 VanDerWaalsContact O-N 3.09Å; T26-T29 PolarHBondContact OG1-N 3.46Å; T26-T29 VanDerWaalsContact OG1-N 3.16Å; T26-T29 PolarHBondContact OG1-OG1 3.24Å; T26-L30 PolarHBondContact O-N 3.44Å; T26-L30 VanDerWaalsContact O-N 3.1Å | ||
| 27 | P | 90.3 | Very high | 88.2 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 29% | 0.286 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.5 | -35.9 | 175.6 | -22.7 | 31.2 | 0 | 0 | 0 | 112.6 | W13 I16 A20 L30 R31 | W13-P27 HydrophobicContact CH2-CB 4Å; W13-P27 HydrophobicContact CZ3-CB 4.37Å; I16-P27 HydrophobicContact CG2-CB 4.05Å; I16-P27 WeakPolarHBondContact CG2-O 3.38Å; A20-P27 HydrophobicContact CB-CB 4.26Å; A20-P27 HydrophobicContact CB-CG 4.07Å; P27-L30 PolarHBondContact O-N 3.46Å; P27-R31 WeakPolarHBondContact O-CB 3.21Å; P27-R31 PolarHBondContact O-N 2.9Å |
| 28 | E | 90.9 | Very high | 88 | Confident | 137 Ų | 137 | 71 Ų | 71 | 64% | 0.64 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 176.1 | -76 | -173.5 | 82.3 | 0 | 0 | 112.4 | T26 L30 R31 V32 | T26-E28 PolarHBondContact O-N 2.92Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.11Å; E28-R31 PolarHBondContact O-N 3.47Å; E28-V32 WeakPolarHBondContact O-CG2 3.5Å; E28-V32 PolarHBondContact O-N 2.67Å |
| 29 | T | 90.7 | Very high | 87.8 | Confident | 53 Ų | 53 | 73 Ų | 73 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 175.6 | -52.6 | 0 | 0 | 0 | 0 | 110.8 | T26 R31 V32 W33 | T26-T29 WeakPolarHBondContact O-CB 3.4Å; T26-T29 PolarHBondContact O-N 2.98Å; T26-T29 VanDerWaalsContact O-N 3.09Å; T26-T29 PolarHBondContact OG1-N 3.46Å; T26-T29 VanDerWaalsContact OG1-N 3.16Å; T26-T29 PolarHBondContact OG1-OG1 3.24Å; T29-R31 VanDerWaalsContact C-N 3.35Å; T29-R31 PolarHBondContact O-N 3.45Å; T29-V32 PolarHBondContact O-N 3.23Å; T29-W33 HydrophobicContact CG2-CD2 4.39Å; T29-W33 HydrophobicContact CG2-CH2 4.48Å; T29-W33 HydrophobicContact CG2-CZ2 3.9Å; T29-W33 PolarHBondContact O-N 3.43Å; T29-W33 VanDerWaalsContact O-N 3.11Å |
| 30 | L | 90.7 | Very high | 87.4 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 179.8 | -172.4 | 62.3 | 0 | 0 | 0 | 111.6 | V2 I16 I19 A20 T26 P27 E28 V32 W33 V34 | V2-L30 HydrophobicContact CG2-CD1 4.21Å; V2-L30 HydrophobicContact CG2-CD2 4.08Å; V2-L30 HydrophobicContact CG2-CG 4.35Å; I16-L30 HydrophobicContact CG2-CB 4.13Å; I16-L30 HydrophobicContact CG2-CD2 4.25Å; I16-L30 HydrophobicContact CG2-CG 4.36Å; I19-L30 HydrophobicContact CB-CD2 4.08Å; I19-L30 HydrophobicContact CG2-CD2 3.96Å; A20-L30 HydrophobicContact CB-CB 4.42Å; A20-L30 HydrophobicContact CB-CD2 4.12Å; T26-L30 PolarHBondContact O-N 3.44Å; T26-L30 VanDerWaalsContact O-N 3.1Å; P27-L30 PolarHBondContact O-N 3.46Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.11Å; L30-V32 VanDerWaalsContact C-N 3.34Å; L30-V32 PolarHBondContact O-N 2.96Å; L30-W33 HydrophobicContact CD1-CE3 4.38Å; L30-W33 PolarHBondContact O-N 3.42Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.06Å |
| 31 | R | 89.2 | Confident | 86.9 | Confident | 96 Ų | 96 | 80.4 Ų | 80.4 | 36% | 0.362 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 174.8 | -168.2 | -179.1 | 102.4 | -168.9 | 1.7 | 112.4 | W13 I16 P27 E28 T29 W33 V34 R35 | W13-R31 HydrophobicContact CZ3-CB 4.24Å; W13-R31 HydrophobicContact CZ3-CG 4.41Å; I16-R31 HydrophobicContact CD1-CB 4.03Å; I16-R31 HydrophobicContact CD1-CG 4.03Å; I16-R31 HydrophobicContact CG2-CB 4.43Å; P27-R31 WeakPolarHBondContact O-CB 3.21Å; P27-R31 PolarHBondContact O-N 2.9Å; E28-R31 PolarHBondContact O-N 3.47Å; T29-R31 VanDerWaalsContact C-N 3.35Å; T29-R31 PolarHBondContact O-N 3.45Å; R31-W33 VanDerWaalsContact C-N 3.32Å; R31-V34 PolarHBondContact O-N 3.38Å; R31-R35 PolarHBondContact O-N 3.35Å |
| 32 | V | 89.4 | Confident | 85.9 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.2 | -43.6 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | E28 T29 L30 R35 Q36 | E28-V32 WeakPolarHBondContact O-CG2 3.5Å; E28-V32 PolarHBondContact O-N 2.67Å; T29-V32 PolarHBondContact O-N 3.23Å; L30-V32 VanDerWaalsContact C-N 3.34Å; L30-V32 PolarHBondContact O-N 2.96Å; V32-R35 PolarHBondContact O-N 3.46Å; V32-Q36 WeakPolarHBondContact O-CB 3.44Å; V32-Q36 PolarHBondContact O-N 3.02Å |
| 33 | W | 89.2 | Confident | 84.7 | Confident | 155 Ų | 155 | 75 Ų | 75 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.3 | -42.3 | 177.6 | -67.3 | -4.9 | 0 | 0 | 0 | 112.7 | T29 L30 R31 Q36 H37 | T29-W33 HydrophobicContact CG2-CD2 4.39Å; T29-W33 HydrophobicContact CG2-CH2 4.48Å; T29-W33 HydrophobicContact CG2-CZ2 3.9Å; T29-W33 PolarHBondContact O-N 3.43Å; T29-W33 VanDerWaalsContact O-N 3.11Å; L30-W33 HydrophobicContact CD1-CE3 4.38Å; L30-W33 PolarHBondContact O-N 3.42Å; R31-W33 VanDerWaalsContact C-N 3.32Å; W33-Q36 PolarHBondContact O-N 3.17Å; W33-H37 WeakPolarHBondContact O-CB 3.41Å; W33-H37 PolarHBondContact O-N 3.19Å |
| 34 | V | 86 | Confident | 83.6 | Confident | 15 Ų | 15 | 72.2 Ų | 72.2 | 9% | 0.091 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | V2 I16 L30 R31 Q36 H37 E38 | V2-V34 HydrophobicContact CB-CG2 4.19Å; V2-V34 HydrophobicContact CG1-CG2 3.9Å; V2-V34 HydrophobicContact CG2-CG2 4.33Å; I16-V34 HydrophobicContact CD1-CG2 4.48Å; I16-V34 HydrophobicContact CG1-CG2 4.49Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.06Å; R31-V34 PolarHBondContact O-N 3.38Å; V34-Q36 VanDerWaalsContact C-N 3.31Å; V34-Q36 PolarHBondContact O-N 3.24Å; V34-H37 WeakPolarHBondContact O-CB 3.45Å; V34-H37 PolarHBondContact O-N 3.22Å; V34-E38 WeakPolarHBondContact O-CG 3.43Å; V34-E38 PolarHBondContact O-N 2.83Å |
| 35 | R | 85.1 | Confident | 82.4 | Confident | 126 Ų | 126 | 76.9 Ų | 76.9 | 48% | 0.475 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 176.1 | -83.2 | -172.1 | 172.8 | 161.8 | -1.4 | 113.2 | R31 V32 R39 | R31-R35 PolarHBondContact O-N 3.35Å; V32-R35 PolarHBondContact O-N 3.46Å; R35-R39 WeakPolarHBondContact O-CG 3.48Å; R35-R39 PolarHBondContact O-N 3.38Å |
| 36 | Q | 83.5 | Confident | 81.1 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 15% | 0.15 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 175.8 | -173.2 | 57.8 | 69.5 | 0 | 0 | 110.2 | V32 W33 V34 R39 D40 T50 | V32-Q36 WeakPolarHBondContact O-CB 3.44Å; V32-Q36 PolarHBondContact O-N 3.02Å; W33-Q36 PolarHBondContact O-N 3.17Å; V34-Q36 VanDerWaalsContact C-N 3.31Å; V34-Q36 PolarHBondContact O-N 3.24Å; Q36-R39 WeakPolarHBondContact O-CB 3.41Å; Q36-R39 PolarHBondContact O-N 3.38Å; Q36-D40 PolarHBondContact NE2-OD2 2.96Å; Q36-D40 PolarHBondContact O-N 2.83Å; Q36-T50 PolarHBondContact NE2-OG1 2.92Å |
| 37 | H | 83.8 | Confident | 80.1 | Confident | 99 Ų | 99 | 77.3 Ų | 77.3 | 46% | 0.458 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.8 | -174.8 | -77.9 | 0 | 0 | 0 | 112.1 | W33 V34 R39 D40 T41 | W33-H37 WeakPolarHBondContact O-CB 3.41Å; W33-H37 PolarHBondContact O-N 3.19Å; V34-H37 WeakPolarHBondContact O-CB 3.45Å; V34-H37 PolarHBondContact O-N 3.22Å; H37-R39 VanDerWaalsContact C-N 3.29Å; H37-R39 PolarHBondContact O-N 3.45Å; H37-D40 PolarHBondContact O-N 3.43Å; H37-T41 PolarHBondContact CE1-OG1 3.39Å; H37-T41 PolarHBondContact ND1-OG1 2.71Å; H37-T41 WeakPolarHBondContact O-CB 3.39Å; H37-T41 PolarHBondContact O-N 3.18Å; H37-T41 PolarHBondContact O-OG1 2.65Å |
| 38 | E | 82.5 | Confident | 79.3 | Confident | 59 Ų | 59 | 78.9 Ų | 78.9 | 28% | 0.276 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 174.6 | -74 | 177.6 | 153.5 | 0 | 0 | 111.7 | Q12 V34 T41 G42 G43 G44 | Q12-E38 PolarHBondContact NE2-OE1 3.07Å; V34-E38 WeakPolarHBondContact O-CG 3.43Å; V34-E38 PolarHBondContact O-N 2.83Å; E38-T41 PolarHBondContact O-N 3.23Å; E38-G42 PolarHBondContact O-N 2.87Å; E38-G43 WeakPolarHBondContact O-CA 3.38Å; E38-G43 PolarHBondContact O-N 2.86Å; E38-G44 PolarHBondContact O-N 3.2Å |
| 39 | R | 82.3 | Confident | 78.9 | Confident | 86 Ų | 86 | 73.8 Ų | 73.8 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 172.1 | -70.6 | 171.1 | -173.4 | 142.8 | -0.3 | 112 | R35 Q36 H37 T41 G42 | R35-R39 WeakPolarHBondContact O-CG 3.48Å; R35-R39 PolarHBondContact O-N 3.38Å; Q36-R39 WeakPolarHBondContact O-CB 3.41Å; Q36-R39 PolarHBondContact O-N 3.38Å; H37-R39 VanDerWaalsContact C-N 3.29Å; H37-R39 PolarHBondContact O-N 3.45Å; R39-T41 PolarHBondContact O-N 2.84Å; R39-G42 PolarHBondContact O-N 3.28Å |
| 40 | D | 78.7 | Confident | 78.3 | Confident | 62 Ų | 62 | 74.5 Ų | 74.5 | 33% | 0.332 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -27.7 | 179.5 | -79.7 | -68.7 | 0 | 0 | 0 | 112.8 | Q36 H37 T49 T50 | Q36-D40 PolarHBondContact NE2-OD2 2.96Å; Q36-D40 PolarHBondContact O-N 2.83Å; H37-D40 PolarHBondContact O-N 3.43Å; D40-T49 WeakPolarHBondContact OD1-CB 3.32Å; D40-T50 VanDerWaalsContact OD1-CB 3.32Å; D40-T50 WeakPolarHBondContact OD1-CB 3.5Å; D40-T50 PolarHBondContact OD1-N 3.24Å; D40-T50 PolarHBondContact OD1-OG1 3.45Å; D40-T50 PolarHBondContact OD2-OG1 2.74Å |
| 41 | T | 78.3 | Confident | 77.7 | Confident | 100 Ų | 100 | 77 Ų | 77 | 61% | 0.613 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 4.1 | 177.6 | -29.1 | 0 | 0 | 0 | 0 | 113.1 | H37 E38 R39 | H37-T41 PolarHBondContact CE1-OG1 3.39Å; H37-T41 PolarHBondContact ND1-OG1 2.71Å; H37-T41 WeakPolarHBondContact O-CB 3.39Å; H37-T41 PolarHBondContact O-N 3.18Å; H37-T41 PolarHBondContact O-OG1 2.65Å; E38-T41 PolarHBondContact O-N 3.23Å; R39-T41 PolarHBondContact O-N 2.84Å |
| 42 | G | 68 | Low | 77.3 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 72% | 0.722 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | 9.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E38 R39 | E38-G42 PolarHBondContact O-N 2.87Å; R39-G42 PolarHBondContact O-N 3.28Å |
| 43 | G | 63.6 | Low | 77 | Confident | 69 Ų | 69 | 77.5 Ų | 77.5 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | trans | -103.2 | 4.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E38 | E38-G43 WeakPolarHBondContact O-CA 3.38Å; E38-G43 PolarHBondContact O-N 2.86Å | ||
| 44 | G | 62.4 | Low | 76.8 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 33% | 0.33 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -93 | 165.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E38 G46 | E38-G44 PolarHBondContact O-N 3.2Å; G44-G46 PolarHBondContact O-N 2.85Å |
| 45 | D | 63.9 | Low | 76.9 | Confident | 171 Ų | 171 | 82.7 Ų | 82.7 | 91% | 0.914 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -57.8 | 32 | 176.9 | -85.7 | -95.1 | 0 | 0 | 0 | 117 | G47 | D45-G47 VanDerWaalsContact C-N 3.29Å; D45-G47 PolarHBondContact O-N 3.33Å |
| 46 | G | 64.3 | Low | 77.1 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 78% | 0.784 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 73.8 | 15.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G44 | G44-G46 PolarHBondContact O-N 2.85Š|
| 47 | G | 69.3 | Low | 77.4 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 36% | 0.361 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 143.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D45 T49 | D45-G47 VanDerWaalsContact C-N 3.29Å; D45-G47 PolarHBondContact O-N 3.33Å; G47-T49 PolarHBondContact O-N 2.74Å |
| 48 | L | 74.3 | Confident | 77.8 | Confident | 78 Ų | 78 | 85.3 Ų | 85.3 | 41% | 0.408 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 130.6 | 179 | -67.1 | 163.3 | 0 | 0 | 0 | 111.7 | E52 L56 | L48-E52 HydrophobicContact CB-CB 4.21Å; L48-E52 HydrophobicContact CD2-CB 3.79Å; L48-E52 HydrophobicContact CD2-CG 4.46Å; L48-L56 HydrophobicContact CD1-CD1 4.35Å |
| 49 | T | 81 | Confident | 78.3 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 18% | 0.184 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -60 | 160.8 | 168.1 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | D40 G47 A51 E52 R53 | D40-T49 WeakPolarHBondContact OD1-CB 3.32Å; G47-T49 PolarHBondContact O-N 2.74Å; T49-A51 PolarHBondContact O-N 3.32Å; T49-E52 WeakPolarHBondContact CB-OE2 3.39Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.15Å; T49-E52 PolarHBondContact N-OE2 3.36Å; T49-E52 PolarHBondContact O-N 3.03Å; T49-E52 WeakPolarHBondContact OG1-CB 3.34Å; T49-E52 WeakPolarHBondContact OG1-CG 3.49Å; T49-E52 PolarHBondContact OG1-N 3.23Å; T49-E52 VanDerWaalsContact OG1-N 3.09Å; T49-E52 PolarHBondContact OG1-OE2 3.36Å; T49-R53 PolarHBondContact O-N 2.88Å |
| 50 | T | 78.9 | Confident | 78.8 | Confident | 68 Ų | 68 | 89 Ų | 89 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 176 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | Q36 D40 R53 Q54 | Q36-T50 PolarHBondContact NE2-OG1 2.92Å; D40-T50 VanDerWaalsContact OD1-CB 3.32Å; D40-T50 WeakPolarHBondContact OD1-CB 3.5Å; D40-T50 PolarHBondContact OD1-N 3.24Å; D40-T50 PolarHBondContact OD1-OG1 3.45Å; D40-T50 PolarHBondContact OD2-OG1 2.74Å; T50-R53 PolarHBondContact O-N 3.06Å; T50-Q54 WeakPolarHBondContact O-CB 3.37Å; T50-Q54 PolarHBondContact O-N 2.88Å |
| 51 | A | 78.9 | Confident | 79.4 | Confident | 64 Ų | 64 | 93.5 Ų | 93.5 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T49 Q54 R55 | T49-A51 PolarHBondContact O-N 3.32Å; A51-Q54 PolarHBondContact O-N 2.93Å; A51-R55 PolarHBondContact O-N 3.2Å |
| 52 | E | 80.7 | Confident | 80.1 | Confident | 92 Ų | 92 | 94.5 Ų | 94.5 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 176.3 | -76 | 171 | 105.1 | 0 | 0 | 112.1 | L48 T49 Q54 R55 L56 | L48-E52 HydrophobicContact CB-CB 4.21Å; L48-E52 HydrophobicContact CD2-CB 3.79Å; L48-E52 HydrophobicContact CD2-CG 4.46Å; T49-E52 WeakPolarHBondContact CB-OE2 3.39Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.15Å; T49-E52 PolarHBondContact N-OE2 3.36Å; T49-E52 PolarHBondContact O-N 3.03Å; T49-E52 WeakPolarHBondContact OG1-CB 3.34Å; T49-E52 WeakPolarHBondContact OG1-CG 3.49Å; T49-E52 PolarHBondContact OG1-N 3.23Å; T49-E52 VanDerWaalsContact OG1-N 3.09Å; T49-E52 PolarHBondContact OG1-OE2 3.36Å; E52-Q54 PolarHBondContact O-N 3.09Å; E52-R55 PolarHBondContact O-N 3.36Å; E52-L56 WeakPolarHBondContact O-CB 3.42Å; E52-L56 PolarHBondContact O-N 3.33Å |
| 53 | R | 81.8 | Confident | 81.3 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 41% | 0.408 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 176.7 | -168.9 | -178.1 | -63.5 | 135.1 | 5.6 | 111.5 | T49 T50 K57 | T49-R53 PolarHBondContact O-N 2.88Å; T50-R53 PolarHBondContact O-N 3.06Å; R53-K57 WeakPolarHBondContact O-CG 3.44Å; R53-K57 PolarHBondContact O-N 3.27Å |
| 54 | Q | 84.8 | Confident | 82.7 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69 | -47.4 | 177.6 | -177.1 | 57 | 26.8 | 0 | 0 | 111.3 | T50 A51 E52 L56 K57 E58 | T50-Q54 WeakPolarHBondContact O-CB 3.37Å; T50-Q54 PolarHBondContact O-N 2.88Å; A51-Q54 PolarHBondContact O-N 2.93Å; E52-Q54 PolarHBondContact O-N 3.09Å; Q54-L56 VanDerWaalsContact C-N 3.29Å; Q54-L56 PolarHBondContact O-N 2.88Å; Q54-K57 PolarHBondContact O-N 3.37Å; Q54-E58 WeakPolarHBondContact CG-OE2 3.43Å; Q54-E58 PolarHBondContact NE2-OE2 3.34Å; Q54-E58 PolarHBondContact O-N 3.37Å |
| 55 | R | 88.5 | Confident | 84.2 | Confident | 180 Ų | 180 | 102.8 Ų | 102.8 | 68% | 0.679 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58 | -41.6 | 173.4 | -81.7 | -171.7 | 177.4 | 175.2 | 1 | 112.3 | A51 E52 K57 E58 L59 | A51-R55 PolarHBondContact O-N 3.2Å; E52-R55 PolarHBondContact O-N 3.36Å; R55-K57 VanDerWaalsContact C-N 3.31Å; R55-K57 PolarHBondContact O-N 3.04Å; R55-E58 PolarHBondContact O-N 3.15Å; R55-L59 HydrophobicContact CB-CD1 4.39Å; R55-L59 WeakPolarHBondContact O-CD1 3.3Å; R55-L59 PolarHBondContact O-N 3.48Å |
| 56 | L | 90.5 | Very high | 85.7 | Confident | 82 Ų | 82 | 99 Ų | 99 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 179.9 | -165.9 | 142 | 0 | 0 | 0 | 110.9 | L48 E52 Q54 E58 L59 E60 | L48-L56 HydrophobicContact CD1-CD1 4.35Å; E52-L56 WeakPolarHBondContact O-CB 3.42Å; E52-L56 PolarHBondContact O-N 3.33Å; Q54-L56 VanDerWaalsContact C-N 3.29Å; Q54-L56 PolarHBondContact O-N 2.88Å; L56-E58 PolarHBondContact O-N 3.02Å; L56-L59 PolarHBondContact O-N 3.1Å; L56-E60 HydrophobicContact CD2-CG 4.19Å; L56-E60 WeakPolarHBondContact CD2-OE2 3.34Å; L56-E60 WeakPolarHBondContact O-CB 3.48Å; L56-E60 VanDerWaalsContact O-CG 3.3Å; L56-E60 WeakPolarHBondContact O-CG 3.41Å; L56-E60 PolarHBondContact O-N 2.86Å |
| 57 | K | 90 | Very high | 87.1 | Confident | 120 Ų | 120 | 103.9 Ų | 103.9 | 52% | 0.522 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 174.4 | -72.7 | 179.2 | 179.1 | -179.5 | 0 | 113.1 | R53 Q54 R55 E60 R61 | R53-K57 WeakPolarHBondContact O-CG 3.44Å; R53-K57 PolarHBondContact O-N 3.27Å; Q54-K57 PolarHBondContact O-N 3.37Å; R55-K57 VanDerWaalsContact C-N 3.31Å; R55-K57 PolarHBondContact O-N 3.04Å; K57-E60 PolarHBondContact O-N 3.45Å; K57-R61 WeakPolarHBondContact O-CB 3.33Å; K57-R61 PolarHBondContact O-N 3.05Å |
| 58 | E | 91.7 | Very high | 88.2 | Confident | 110 Ų | 110 | 111.2 Ų | 111.2 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 176.7 | -79.4 | 167.7 | 56.8 | 0 | 0 | 111.2 | Q54 R55 L56 E60 R61 E62 | Q54-E58 WeakPolarHBondContact CG-OE2 3.43Å; Q54-E58 PolarHBondContact NE2-OE2 3.34Å; Q54-E58 PolarHBondContact O-N 3.37Å; R55-E58 PolarHBondContact O-N 3.15Å; L56-E58 PolarHBondContact O-N 3.02Å; E58-E60 PolarHBondContact O-N 3.48Å; E58-R61 WeakPolarHBondContact O-CB 3.32Å; E58-R61 PolarHBondContact O-N 3.41Å; E58-R61 VanDerWaalsContact O-N 3.15Å; E58-E62 PolarHBondContact O-N 3.32Å |
| 59 | L | 92.7 | Very high | 89.1 | Confident | 113 Ų | 113 | 110.5 Ų | 110.5 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 174.4 | -92.4 | 94.3 | 0 | 0 | 0 | 111.9 | R55 L56 R61 E62 N63 | R55-L59 HydrophobicContact CB-CD1 4.39Å; R55-L59 WeakPolarHBondContact O-CD1 3.3Å; R55-L59 PolarHBondContact O-N 3.48Å; L56-L59 PolarHBondContact O-N 3.1Å; L59-R61 PolarHBondContact O-N 3.21Å; L59-E62 PolarHBondContact O-N 2.74Å; L59-N63 VanDerWaalsContact O-CB 3.3Å; L59-N63 WeakPolarHBondContact O-CB 3.3Å; L59-N63 PolarHBondContact O-N 3.04Å |
| 60 | E | 92.8 | Very high | 89.7 | Confident | 109 Ų | 109 | 112.7 Ų | 112.7 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -32.6 | 176.7 | -78.3 | -172.1 | 107.6 | 0 | 0 | 112.5 | L56 K57 E58 R64 | L56-E60 HydrophobicContact CD2-CG 4.19Å; L56-E60 WeakPolarHBondContact CD2-OE2 3.34Å; L56-E60 WeakPolarHBondContact O-CB 3.48Å; L56-E60 VanDerWaalsContact O-CG 3.3Å; L56-E60 WeakPolarHBondContact O-CG 3.41Å; L56-E60 PolarHBondContact O-N 2.86Å; K57-E60 PolarHBondContact O-N 3.45Å; E58-E60 PolarHBondContact O-N 3.48Å; E60-R64 WeakPolarHBondContact O-CG 3.42Å; E60-R64 PolarHBondContact O-N 3.18Å; E60-R64 PolarHBondContact O-NE 2.93Å |
| 61 | R | 92 | Very high | 90.5 | Very high | 158 Ų | 158 | 113.3 Ų | 113.3 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.7 | -51.1 | 173.7 | -176 | -175.9 | 170.7 | 173.5 | 4.4 | 110.5 | K57 E58 L59 N63 R64 E65 | K57-R61 WeakPolarHBondContact O-CB 3.33Å; K57-R61 PolarHBondContact O-N 3.05Å; E58-R61 WeakPolarHBondContact O-CB 3.32Å; E58-R61 PolarHBondContact O-N 3.41Å; E58-R61 VanDerWaalsContact O-N 3.15Å; L59-R61 PolarHBondContact O-N 3.21Å; R61-N63 VanDerWaalsContact C-N 3.31Å; R61-N63 PolarHBondContact O-N 3.41Å; R61-R64 WeakPolarHBondContact O-CB 3.38Å; R61-R64 PolarHBondContact O-N 2.85Å; R61-R64 VanDerWaalsContact O-N 3.1Å; R61-E65 WeakPolarHBondContact CG-OE2 3.15Å; R61-E65 IonicContact CZ-OE2 3.88Å; R61-E65 IonicContact NE-OE2 3.61Å; R61-E65 PolarHBondContact NE-OE2 2.96Å; R61-E65 IonicContact NH2-OE2 3.94Å; R61-E65 PolarHBondContact O-N 3.35Å |
| 62 | E | 92.4 | Very high | 91.3 | Very high | 121 Ų | 121 | 115.4 Ų | 115.4 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59 | -43 | 179.5 | -172.5 | 176.1 | 84.2 | 0 | 0 | 111.4 | E58 L59 R64 E65 L66 | E58-E62 PolarHBondContact O-N 3.32Å; L59-E62 PolarHBondContact O-N 2.74Å; E62-R64 VanDerWaalsContact C-N 3.28Å; E62-R64 PolarHBondContact O-N 2.81Å; E62-E65 PolarHBondContact O-N 3.27Å; E62-E65 VanDerWaalsContact O-N 3.12Å; E62-L66 HydrophobicContact CG-CD1 3.96Å; E62-L66 HydrophobicContact CG-CG 4.23Å; E62-L66 WeakPolarHBondContact O-CB 3.36Å; E62-L66 WeakPolarHBondContact O-CG 3.43Å; E62-L66 PolarHBondContact O-N 2.82Å |
| 63 | N | 93.9 | Very high | 91.9 | Very high | 83 Ų | 83 | 116.3 Ų | 116.3 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 178.3 | -149.8 | -81.8 | 0 | 0 | 0 | 111.8 | L59 R61 R67 | L59-N63 VanDerWaalsContact O-CB 3.3Å; L59-N63 WeakPolarHBondContact O-CB 3.3Å; L59-N63 PolarHBondContact O-N 3.04Å; R61-N63 VanDerWaalsContact C-N 3.31Å; R61-N63 PolarHBondContact O-N 3.41Å; N63-R67 WeakPolarHBondContact O-CB 3.49Å; N63-R67 WeakPolarHBondContact O-CG 3.49Å; N63-R67 PolarHBondContact O-N 2.83Å; N63-R67 PolarHBondContact OD1-NE 2.95Å |
| 64 | R | 92.8 | Very high | 92.5 | Very high | 159 Ų | 159 | 119.5 Ų | 119.5 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.5 | -42.2 | 174.6 | -78.7 | -175.7 | -72.4 | 166.7 | -4.7 | 111.9 | E60 R61 E62 R67 R68 | E60-R64 WeakPolarHBondContact O-CG 3.42Å; E60-R64 PolarHBondContact O-N 3.18Å; E60-R64 PolarHBondContact O-NE 2.93Å; R61-R64 WeakPolarHBondContact O-CB 3.38Å; R61-R64 PolarHBondContact O-N 2.85Å; R61-R64 VanDerWaalsContact O-N 3.1Å; E62-R64 VanDerWaalsContact C-N 3.28Å; E62-R64 PolarHBondContact O-N 2.81Å; R64-R67 PolarHBondContact O-N 3.15Å; R64-R68 WeakPolarHBondContact O-CG 3.33Å; R64-R68 PolarHBondContact O-N 3.35Å; R64-R68 VanDerWaalsContact O-N 3.12Å |
| 65 | E | 93.5 | Very high | 92.9 | Very high | 103 Ų | 103 | 120.6 Ų | 120.6 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 177.6 | -65.6 | -172 | 73.5 | 0 | 0 | 110.9 | R61 E62 R67 R68 S69 | R61-E65 WeakPolarHBondContact CG-OE2 3.15Å; R61-E65 IonicContact CZ-OE2 3.88Å; R61-E65 IonicContact NE-OE2 3.61Å; R61-E65 PolarHBondContact NE-OE2 2.96Å; R61-E65 IonicContact NH2-OE2 3.94Å; R61-E65 PolarHBondContact O-N 3.35Å; E62-E65 PolarHBondContact O-N 3.27Å; E62-E65 VanDerWaalsContact O-N 3.12Å; E65-R67 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 3.12Å; E65-R68 PolarHBondContact O-N 3.12Å; E65-R68 VanDerWaalsContact O-N 3.15Å; E65-S69 PolarHBondContact O-N 3.47Å; E65-S69 PolarHBondContact O-OG 3.31Å |
| 66 | L | 94.9 | Very high | 93.1 | Very high | 90 Ų | 90 | 113.7 Ų | 113.7 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 175.8 | -72.2 | 174.5 | 0 | 0 | 0 | 113 | E62 N70 | E62-L66 HydrophobicContact CG-CD1 3.96Å; E62-L66 HydrophobicContact CG-CG 4.23Å; E62-L66 WeakPolarHBondContact O-CB 3.36Å; E62-L66 WeakPolarHBondContact O-CG 3.43Å; E62-L66 PolarHBondContact O-N 2.82Å; L66-N70 WeakPolarHBondContact O-CB 3.34Å; L66-N70 PolarHBondContact O-N 3.45Å; L66-N70 PolarHBondContact O-ND2 2.75Å; L66-N70 VanDerWaalsContact O-ND2 3.08Å |
| 67 | R | 93.6 | Very high | 93.2 | Very high | 179 Ų | 179 | 113.6 Ų | 113.6 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 175.1 | -79.7 | 173.1 | -179.8 | -107.5 | 1.6 | 111.8 | N63 R64 E65 N70 D71 | N63-R67 WeakPolarHBondContact O-CB 3.49Å; N63-R67 WeakPolarHBondContact O-CG 3.49Å; N63-R67 PolarHBondContact O-N 2.83Å; N63-R67 PolarHBondContact OD1-NE 2.95Å; R64-R67 PolarHBondContact O-N 3.15Å; E65-R67 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 3.12Å; R67-N70 PolarHBondContact O-N 3.21Å; R67-D71 WeakPolarHBondContact O-CB 3.39Å; R67-D71 PolarHBondContact O-N 2.98Å |
| 68 | R | 93.1 | Very high | 93.3 | Very high | 189 Ų | 189 | 110.9 Ų | 110.9 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 175.6 | -72.8 | 179.7 | -179.1 | -163.7 | -0.2 | 111.5 | R64 E65 N70 D71 I72 | R64-R68 WeakPolarHBondContact O-CG 3.33Å; R64-R68 PolarHBondContact O-N 3.35Å; R64-R68 VanDerWaalsContact O-N 3.12Å; E65-R68 PolarHBondContact O-N 3.12Å; E65-R68 VanDerWaalsContact O-N 3.15Å; R68-N70 PolarHBondContact O-N 3.36Å; R68-D71 WeakPolarHBondContact O-CB 3.32Å; R68-D71 PolarHBondContact O-N 2.94Å; R68-I72 WeakPolarHBondContact O-CG1 3.37Å; R68-I72 PolarHBondContact O-N 3.45Å |
| 69 | S | 93.2 | Very high | 93.3 | Very high | 63 Ų | 63 | 113.6 Ų | 113.6 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.3 | -62.4 | 0 | 0 | 0 | 0 | 112 | E65 D71 I72 L73 | E65-S69 PolarHBondContact O-N 3.47Å; E65-S69 PolarHBondContact O-OG 3.31Å; S69-D71 VanDerWaalsContact C-N 3.32Å; S69-D71 PolarHBondContact O-N 3.47Å; S69-I72 PolarHBondContact O-N 2.92Å; S69-L73 WeakPolarHBondContact O-CG 3.19Å; S69-L73 PolarHBondContact O-N 3.03Å |
| 70 | N | 94 | Very high | 93.2 | Very high | 76 Ų | 76 | 114.4 Ų | 114.4 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 175.1 | -95.4 | -76.6 | 0 | 0 | 0 | 112.7 | L66 R67 R68 L73 R74 | L66-N70 WeakPolarHBondContact O-CB 3.34Å; L66-N70 PolarHBondContact O-N 3.45Å; L66-N70 PolarHBondContact O-ND2 2.75Å; L66-N70 VanDerWaalsContact O-ND2 3.08Å; R67-N70 PolarHBondContact O-N 3.21Å; R68-N70 PolarHBondContact O-N 3.36Å; N70-L73 PolarHBondContact O-N 3.32Å; N70-R74 WeakPolarHBondContact O-CB 3.37Å; N70-R74 WeakPolarHBondContact O-CG 3.46Å; N70-R74 PolarHBondContact O-N 3.28Å |
| 71 | D | 95.4 | Very high | 93.1 | Very high | 81 Ų | 81 | 112 Ų | 112 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 176.8 | -169.7 | -103.3 | 0 | 0 | 0 | 111.2 | R67 R68 S69 L73 R74 Q75 | R67-D71 WeakPolarHBondContact O-CB 3.39Å; R67-D71 PolarHBondContact O-N 2.98Å; R68-D71 WeakPolarHBondContact O-CB 3.32Å; R68-D71 PolarHBondContact O-N 2.94Å; S69-D71 VanDerWaalsContact C-N 3.32Å; S69-D71 PolarHBondContact O-N 3.47Å; D71-L73 VanDerWaalsContact C-N 3.34Å; D71-L73 PolarHBondContact O-N 2.84Å; D71-R74 PolarHBondContact O-N 2.92Å; D71-Q75 WeakPolarHBondContact O-CG 3.36Å; D71-Q75 PolarHBondContact O-N 2.83Å; D71-Q75 PolarHBondContact OD1-NE2 2.91Å |
| 72 | I | 94.7 | Very high | 92.9 | Very high | 109 Ų | 109 | 112.4 Ų | 112.4 | 56% | 0.559 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.5 | -46.6 | 175.3 | -66 | 165.9 | 0 | 0 | 0 | 110.8 | R68 S69 R74 Q75 A76 | R68-I72 WeakPolarHBondContact O-CG1 3.37Å; R68-I72 PolarHBondContact O-N 3.45Å; S69-I72 PolarHBondContact O-N 2.92Å; I72-R74 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.08Å; I72-Q75 PolarHBondContact O-N 3.07Å; I72-A76 WeakPolarHBondContact O-CB 3.45Å; I72-A76 PolarHBondContact O-N 3.41Å |
| 73 | L | 94.3 | Very high | 92.6 | Very high | 110 Ų | 110 | 108.6 Ų | 108.6 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 178.9 | -72.1 | 172.8 | 0 | 0 | 0 | 111.6 | S69 N70 D71 A76 S77 | S69-L73 WeakPolarHBondContact O-CG 3.19Å; S69-L73 PolarHBondContact O-N 3.03Å; N70-L73 PolarHBondContact O-N 3.32Å; D71-L73 VanDerWaalsContact C-N 3.34Å; D71-L73 PolarHBondContact O-N 2.84Å; L73-A76 PolarHBondContact O-N 3.43Å; L73-S77 WeakPolarHBondContact O-CB 3.37Å; L73-S77 PolarHBondContact O-N 3.33Å; L73-S77 PolarHBondContact O-OG 2.9Å; L73-S77 VanDerWaalsContact O-OG 3.07Å |
| 74 | R | 93.2 | Very high | 92.1 | Very high | 175 Ų | 175 | 111.2 Ų | 111.2 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 175.3 | -78.2 | -179.5 | 177.6 | 131.3 | 1.2 | 112.1 | N70 D71 I72 S77 A78 | N70-R74 WeakPolarHBondContact O-CB 3.37Å; N70-R74 WeakPolarHBondContact O-CG 3.46Å; N70-R74 PolarHBondContact O-N 3.28Å; D71-R74 PolarHBondContact O-N 2.92Å; I72-R74 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.08Å; R74-S77 PolarHBondContact O-N 3.48Å; R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 2.96Å |
| 75 | Q | 93.7 | Very high | 91.3 | Very high | 123 Ų | 123 | 110.1 Ų | 110.1 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 176 | -69.3 | -176.1 | 24.8 | 0 | 0 | 111.4 | D71 I72 A78 Y79 | D71-Q75 WeakPolarHBondContact O-CG 3.36Å; D71-Q75 PolarHBondContact O-N 2.83Å; D71-Q75 PolarHBondContact OD1-NE2 2.91Å; I72-Q75 PolarHBondContact O-N 3.07Å; Q75-A78 PolarHBondContact O-N 3.46Å; Q75-Y79 WeakPolarHBondContact O-CB 3.43Å; Q75-Y79 PolarHBondContact O-N 3.21Å |
| 76 | A | 93.1 | Very high | 90.7 | Very high | 35 Ų | 35 | 109.2 Ų | 109.2 | 29% | 0.289 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I72 L73 A78 Y79 F80 | I72-A76 WeakPolarHBondContact O-CB 3.45Å; I72-A76 PolarHBondContact O-N 3.41Å; L73-A76 PolarHBondContact O-N 3.43Å; A76-A78 VanDerWaalsContact C-N 3.31Å; A76-A78 PolarHBondContact O-N 3.29Å; A76-Y79 WeakPolarHBondContact O-CB 3.01Å; A76-Y79 PolarHBondContact O-N 3.07Å; A76-Y79 VanDerWaalsContact O-N 3.15Å; A76-F80 HydrophobicContact CB-CD2 4.42Å; A76-F80 HydrophobicContact CB-CE2 4.21Å; A76-F80 WeakPolarHBondContact O-CD2 3.39Å; A76-F80 PolarHBondContact O-N 2.93Å |
| 77 | S | 91.6 | Very high | 89.9 | Confident | 79 Ų | 79 | 114.8 Ų | 114.8 | 55% | 0.552 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.3 | -41.7 | 175.7 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | L73 R74 F80 A81 | L73-S77 WeakPolarHBondContact O-CB 3.37Å; L73-S77 PolarHBondContact O-N 3.33Å; L73-S77 PolarHBondContact O-OG 2.9Å; L73-S77 VanDerWaalsContact O-OG 3.07Å; R74-S77 PolarHBondContact O-N 3.48Å; S77-F80 PolarHBondContact O-N 3.45Å; S77-A81 VanDerWaalsContact O-CB 3.32Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 2.89Å |
| 78 | A | 92.6 | Very high | 89 | Confident | 63 Ų | 63 | 112.4 Ų | 112.4 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.9 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R74 Q75 A76 K82 | R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 2.96Å; Q75-A78 PolarHBondContact O-N 3.46Å; A76-A78 VanDerWaalsContact C-N 3.31Å; A76-A78 PolarHBondContact O-N 3.29Å; A78-K82 WeakPolarHBondContact O-CB 3.5Å; A78-K82 PolarHBondContact O-N 3.15Å; A78-K82 VanDerWaalsContact O-N 3.07Å |
| 79 | Y | 92 | Very high | 87.7 | Confident | 167 Ų | 167 | 113.3 Ų | 113.3 | 66% | 0.655 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.2 | -47.5 | 175.9 | -178.2 | -93.4 | 0 | 0 | 0 | 111.8 | Q75 A76 K82 A83 | Q75-Y79 WeakPolarHBondContact O-CB 3.43Å; Q75-Y79 PolarHBondContact O-N 3.21Å; A76-Y79 WeakPolarHBondContact O-CB 3.01Å; A76-Y79 PolarHBondContact O-N 3.07Å; A76-Y79 VanDerWaalsContact O-N 3.15Å; Y79-K82 PolarHBondContact O-N 3.37Å; Y79-A83 PolarHBondContact O-N 2.94Å |
| 80 | F | 91.1 | Very high | 86.4 | Confident | 131 Ų | 131 | 118.1 Ų | 118.1 | 58% | 0.575 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.8 | -44.2 | 178.2 | -72 | -60.2 | 0 | 0 | 0 | 111.9 | A76 S77 K82 A83 E84 | A76-F80 HydrophobicContact CB-CD2 4.42Å; A76-F80 HydrophobicContact CB-CE2 4.21Å; A76-F80 WeakPolarHBondContact O-CD2 3.39Å; A76-F80 PolarHBondContact O-N 2.93Å; S77-F80 PolarHBondContact O-N 3.45Å; F80-K82 VanDerWaalsContact C-N 3.28Å; F80-K82 PolarHBondContact O-N 3.46Å; F80-A83 PolarHBondContact O-N 3.45Å; F80-A83 VanDerWaalsContact O-N 3.13Å; F80-E84 PolarHBondContact O-N 3.34Å |
| 81 | A | 90.3 | Very high | 84.5 | Confident | 58 Ų | 58 | 126 Ų | 126 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.9 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | S77 F85 | S77-A81 VanDerWaalsContact O-CB 3.32Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 2.89Å; A81-F85 WeakPolarHBondContact O-CB 3.49Å; A81-F85 PolarHBondContact O-N 2.78Å; A81-F85 VanDerWaalsContact O-N 3.08Å |
| 82 | K | 87.2 | Confident | 84 | Confident | 166 Ų | 166 | 128.2 Ų | 128.2 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.2 | -41.7 | 175.8 | -173.4 | 175.2 | -178.8 | 178 | 0 | 112.4 | A78 Y79 F80 F85 D86 | A78-K82 WeakPolarHBondContact O-CB 3.5Å; A78-K82 PolarHBondContact O-N 3.15Å; A78-K82 VanDerWaalsContact O-N 3.07Å; Y79-K82 PolarHBondContact O-N 3.37Å; F80-K82 VanDerWaalsContact C-N 3.28Å; F80-K82 PolarHBondContact O-N 3.46Å; K82-F85 PolarHBondContact O-N 3.03Å; K82-D86 PolarHBondContact O-N 2.89Å |
| 83 | A | 86.9 | Confident | 83.4 | Confident | 42 Ų | 42 | 129.2 Ų | 129.2 | 35% | 0.347 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.9 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y79 F80 D86 R87 | Y79-A83 PolarHBondContact O-N 2.94Å; F80-A83 PolarHBondContact O-N 3.45Å; F80-A83 VanDerWaalsContact O-N 3.13Å; A83-D86 PolarHBondContact O-N 3.13Å; A83-R87 PolarHBondContact O-N 3.16Å; A83-R87 VanDerWaalsContact O-N 3.16Å |
| 84 | E | 82.8 | Confident | 82.8 | Confident | 137 Ų | 137 | 130.3 Ų | 130.3 | 64% | 0.64 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.5 | -42.1 | 172.9 | -72.6 | -162.4 | 99.7 | 0 | 0 | 111.4 | F80 D86 R87 L88 | F80-E84 PolarHBondContact O-N 3.34Å; E84-D86 PolarHBondContact O-N 3.32Å; E84-R87 PolarHBondContact O-N 3.08Å; E84-L88 WeakPolarHBondContact O-CG 3.43Å; E84-L88 PolarHBondContact O-N 3.19Å; E84-L88 VanDerWaalsContact O-N 3.09Å |
| 85 | F | 77 | Confident | 82.2 | Confident | 136 Ų | 136 | 127.6 Ų | 127.6 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.4 | -42 | 176.7 | -145.6 | -86.9 | 0 | 0 | 0 | 112.3 | A81 K82 R87 L88 W89 | A81-F85 WeakPolarHBondContact O-CB 3.49Å; A81-F85 PolarHBondContact O-N 2.78Å; A81-F85 VanDerWaalsContact O-N 3.08Å; K82-F85 PolarHBondContact O-N 3.03Å; F85-R87 PolarHBondContact O-N 3.41Å; F85-L88 PolarHBondContact O-N 3.35Å; F85-W89 AromaticContact CE1-CD1 3.71Å; F85-W89 AromaticContact CE1-NE1 3.87Å; F85-W89 PolarHBondContact O-N 3.09Å |
| 86 | D | 79.2 | Confident | 81.5 | Confident | 84 Ų | 84 | 127.9 Ų | 127.9 | 45% | 0.449 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.5 | -37.9 | 177.1 | -171.6 | 85.9 | 0 | 0 | 0 | 112.4 | K82 A83 E84 K90 | K82-D86 PolarHBondContact O-N 2.89Å; A83-D86 PolarHBondContact O-N 3.13Å; E84-D86 PolarHBondContact O-N 3.32Å; D86-K90 PolarHBondContact O-N 3.49Å; D86-K90 IonicContact OD1-NZ 2.78Å; D86-K90 IonicContact OD2-NZ 3.04Å; D86-K90 PolarHBondContact OD2-NZ 3.27Å |
| 87 | R | 78.1 | Confident | 80.7 | Confident | 207 Ų | 207 | 134.1 Ų | 134.1 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -38.3 | 176.1 | -81.6 | -178.4 | 93 | 159.9 | 5.6 | 112.7 | A83 E84 F85 | A83-R87 PolarHBondContact O-N 3.16Å; A83-R87 VanDerWaalsContact O-N 3.16Å; E84-R87 PolarHBondContact O-N 3.08Å; F85-R87 PolarHBondContact O-N 3.41Å |
| 88 | L | 75.4 | Confident | 80 | Confident | 129 Ų | 129 | 138.1 Ų | 138.1 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.3 | -33.1 | -179.5 | -71 | 171.7 | 0 | 0 | 0 | 112.2 | E84 F85 | E84-L88 WeakPolarHBondContact O-CG 3.43Å; E84-L88 PolarHBondContact O-N 3.19Å; E84-L88 VanDerWaalsContact O-N 3.09Å; F85-L88 PolarHBondContact O-N 3.35Å |
| 89 | W | 66.9 | Low | 79 | Confident | 208 Ų | 208 | 143.8 Ų | 143.8 | 79% | 0.788 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -80.3 | -15 | -179.6 | -109.5 | 81 | 0 | 0 | 0 | 115 | F85 K91 | F85-W89 AromaticContact CE1-CD1 3.71Å; F85-W89 AromaticContact CE1-NE1 3.87Å; F85-W89 PolarHBondContact O-N 3.09Å; W89-K91 VanDerWaalsContact C-N 3.35Å |
| 90 | K | 65.8 | Low | 77.9 | Confident | 164 Ų | 164 | 141.9 Ų | 141.9 | 71% | 0.713 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 9.3 | 175.9 | -78.4 | 179.2 | 180 | 146.4 | 0 | 113.9 | D86 | D86-K90 PolarHBondContact O-N 3.49Å; D86-K90 IonicContact OD1-NZ 2.78Å; D86-K90 IonicContact OD2-NZ 3.04Å; D86-K90 PolarHBondContact OD2-NZ 3.27Å |
| 91 | K | 54.1 | Low | 76.7 | Confident | 241 Ų | 241 | 142.9 Ų | 142.9 | 100% | 1.048 | 66% | 0.658 | S | S | * | * | trans | -114.4 | 0 | -178.6 | -149.2 | -177.1 | -171.3 | -171.9 | 0 | 110.2 | W89 | W89-K91 VanDerWaalsContact C-N 3.35Š|
Retrieved 91 of 91 residues in 45.4 ms
(Link to these results)