| 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 | 47.5 | Very low | 58.1 | Low | 243 Ų | 243 | 99.5 Ų | 99.5 | 100% | 1.197 | 57% | 0.567 | S | S | * | * | 0 | 126.6 | 0 | -65.9 | 165.8 | -178.9 | 0 | 0 | 106.6 | |||||
| 2 | A | 43.8 | Very low | 59.7 | Low | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | trans | -83.1 | 124 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | W4 A5 | A2-W4 VanDerWaalsContact CB-CD1 3.43Å; A2-W4 HydrophobicContact CB-CG 4.3Å; A2-W4 PolarHBondContact O-N 3.47Å; A2-A5 PolarHBondContact O-N 3.29Å | ||
| 3 | P | 53.5 | Low | 60.8 | Low | 109 Ų | 109 | 100.7 Ų | 100.7 | 71% | 0.708 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -64.3 | -11.9 | -171.6 | 22.3 | -32.1 | 0 | 0 | 0 | 114.4 | A5 | P3-A5 PolarHBondContact O-N 3.44Š|
| 4 | W | 53.9 | Low | 61.6 | Low | 185 Ų | 185 | 99.7 Ų | 99.7 | 70% | 0.701 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -76.2 | -16.4 | -178.9 | 59.9 | -101.6 | 0 | 0 | 0 | 114.5 | A2 L6 L7 | A2-W4 VanDerWaalsContact CB-CD1 3.43Å; A2-W4 HydrophobicContact CB-CG 4.3Å; A2-W4 PolarHBondContact O-N 3.47Å; W4-L6 PolarHBondContact O-N 3.43Å; W4-L7 PolarHBondContact O-N 3.17Å; W4-L7 VanDerWaalsContact O-N 3.13Å |
| 5 | A | 54.9 | Low | 62.6 | Low | 52 Ų | 52 | 96.3 Ų | 96.3 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -63.7 | -31.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2 P3 L7 S8 | A2-A5 PolarHBondContact O-N 3.29Å; P3-A5 PolarHBondContact O-N 3.44Å; A5-L7 VanDerWaalsContact C-N 3.29Å; A5-L7 PolarHBondContact O-N 3.39Å; A5-S8 PolarHBondContact O-OG 3.25Å |
| 6 | L | 56.5 | Low | 64 | Low | 112 Ų | 112 | 92.6 Ų | 92.6 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -76 | -13.6 | 177.4 | -65.1 | 172.8 | 0 | 0 | 0 | 113.6 | W4 L121 | W4-L6 PolarHBondContact O-N 3.43Å; L6-L121 HydrophobicContact CD2-CD2 4.34Å |
| 7 | L | 57.5 | Low | 64.9 | Low | 131 Ų | 131 | 94.6 Ų | 94.6 | 69% | 0.686 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -103.6 | 10.7 | -177.7 | -68.1 | 164.1 | 0 | 0 | 0 | 112.9 | W4 A5 | W4-L7 PolarHBondContact O-N 3.17Å; W4-L7 VanDerWaalsContact O-N 3.13Å; A5-L7 VanDerWaalsContact C-N 3.29Å; A5-L7 PolarHBondContact O-N 3.39Å |
| 8 | S | 65.9 | Low | 65.8 | Low | 40 Ų | 40 | 92.6 Ų | 92.6 | 28% | 0.28 | 52% | 0.522 | S | S | . | . | trans | -60.3 | 129.8 | 174.2 | -50.4 | 0 | 0 | 0 | 0 | 109.2 | A5 G10 V11 L12 | A5-S8 PolarHBondContact O-OG 3.25Å; S8-G10 PolarHBondContact O-N 3.05Å; S8-G10 VanDerWaalsContact O-N 3.08Å; S8-V11 PolarHBondContact O-N 3.22Å; S8-L12 PolarHBondContact O-N 3.3Å | ||
| 9 | P | 63.2 | Low | 67 | Low | 105 Ų | 105 | 93.2 Ų | 93.2 | 68% | 0.682 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -53.8 | -34.8 | -177.2 | -27.3 | 33.4 | 0 | 0 | 0 | 113.6 | V13 | P9-V13 VanDerWaalsContact O-CG2 3.28Å; P9-V13 WeakPolarHBondContact O-CG2 3.28Å; P9-V13 PolarHBondContact O-N 2.88Å; P9-V13 VanDerWaalsContact O-N 3.08Å |
| 10 | G | 68.7 | Low | 68.1 | Low | 33 Ų | 33 | 93.7 Ų | 93.7 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | S8 R14 | S8-G10 PolarHBondContact O-N 3.05Å; S8-G10 VanDerWaalsContact O-N 3.08Å; G10-R14 WeakPolarHBondContact O-CB 3.3Å; G10-R14 WeakPolarHBondContact O-CG 3.14Å; G10-R14 PolarHBondContact O-N 3.42Å |
| 11 | V | 73.4 | Confident | 68.9 | Low | 31 Ų | 31 | 92.3 Ų | 92.3 | 19% | 0.188 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -68.8 | -44.6 | 176.1 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | S8 R14 T15 E186 | S8-V11 PolarHBondContact O-N 3.22Å; V11-R14 PolarHBondContact O-N 3.22Å; V11-T15 HydrophobicContact CG1-CG2 4.2Å; V11-T15 WeakPolarHBondContact O-CB 3.24Å; V11-T15 WeakPolarHBondContact O-CG2 3.33Å; V11-T15 PolarHBondContact O-N 2.84Å; V11-T15 PolarHBondContact O-OG1 3.1Å; V11-E186 HydrophobicContact CG2-CB 4.37Å; V11-E186 HydrophobicContact CG2-CG 4.15Å |
| 12 | L | 77.6 | Confident | 70.7 | Confident | 109 Ų | 109 | 84.7 Ų | 84.7 | 57% | 0.571 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | -179.4 | -172.5 | 66.5 | 0 | 0 | 0 | 113.1 | S8 T15 G16 | S8-L12 PolarHBondContact O-N 3.3Å; L12-T15 WeakPolarHBondContact CA-OG1 3.47Å; L12-T15 PolarHBondContact O-OG1 3.47Å; L12-G16 WeakPolarHBondContact O-CA 3.32Å; L12-G16 PolarHBondContact O-N 3.35Å |
| 13 | V | 73.8 | Confident | 73.1 | Confident | 106 Ų | 106 | 83.6 Ų | 83.6 | 64% | 0.642 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.2 | -39.1 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | P9 H17 | P9-V13 VanDerWaalsContact O-CG2 3.28Å; P9-V13 WeakPolarHBondContact O-CG2 3.28Å; P9-V13 PolarHBondContact O-N 2.88Å; P9-V13 VanDerWaalsContact O-N 3.08Å; V13-H17 WeakPolarHBondContact O-CB 3.19Å; V13-H17 PolarHBondContact O-N 3.11Å |
| 14 | R | 72.1 | Confident | 74.7 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 33% | 0.328 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.7 | -38.8 | -179.3 | -71.3 | -174.8 | -174.6 | 134.5 | -0.4 | 113.2 | G10 V11 G16 H17 T18 P183 E186 | G10-R14 WeakPolarHBondContact O-CB 3.3Å; G10-R14 WeakPolarHBondContact O-CG 3.14Å; G10-R14 PolarHBondContact O-N 3.42Å; V11-R14 PolarHBondContact O-N 3.22Å; R14-G16 VanDerWaalsContact C-N 3.32Å; R14-H17 PolarHBondContact O-N 2.97Å; R14-T18 VanDerWaalsContact O-CB 3.32Å; R14-T18 WeakPolarHBondContact O-CB 3.48Å; R14-T18 PolarHBondContact O-N 3.43Å; R14-T18 PolarHBondContact O-OG1 3.32Å; R14-P183 PolarHBondContact NH1-O 3.44Å; R14-E186 IonicContact CZ-OE1 2.84Å; R14-E186 IonicContact NH1-OE1 3.81Å; R14-E186 PolarHBondContact NH1-OE1 3.01Å; R14-E186 IonicContact NH2-OE1 2.61Å |
| 15 | T | 76.7 | Confident | 76.1 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 30% | 0.301 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 170.3 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | V11 L12 T18 V19 | V11-T15 HydrophobicContact CG1-CG2 4.2Å; V11-T15 WeakPolarHBondContact O-CB 3.24Å; V11-T15 WeakPolarHBondContact O-CG2 3.33Å; V11-T15 PolarHBondContact O-N 2.84Å; V11-T15 PolarHBondContact O-OG1 3.1Å; L12-T15 WeakPolarHBondContact CA-OG1 3.47Å; L12-T15 PolarHBondContact O-OG1 3.47Å; T15-T18 PolarHBondContact O-N 2.97Å; T15-V19 VanDerWaalsContact O-CB 3.27Å; T15-V19 WeakPolarHBondContact O-CB 3.39Å; T15-V19 WeakPolarHBondContact O-CG2 3.45Å; T15-V19 PolarHBondContact O-N 3.21Å |
| 16 | G | 85.5 | Confident | 77.6 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 38% | 0.381 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L12 R14 V19 L20 | L12-G16 WeakPolarHBondContact O-CA 3.32Å; L12-G16 PolarHBondContact O-N 3.35Å; R14-G16 VanDerWaalsContact C-N 3.32Å; G16-V19 PolarHBondContact O-N 3.01Å; G16-L20 WeakPolarHBondContact O-CB 3.42Å; G16-L20 PolarHBondContact O-N 3.26Å |
| 17 | H | 78.4 | Confident | 79.1 | Confident | 126 Ų | 126 | 78.4 Ų | 78.4 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.2 | -44.1 | 177.8 | -172.6 | -125.7 | 0 | 0 | 0 | 111.7 | V13 R14 L20 T21 | V13-H17 WeakPolarHBondContact O-CB 3.19Å; V13-H17 PolarHBondContact O-N 3.11Å; R14-H17 PolarHBondContact O-N 2.97Å; H17-L20 PolarHBondContact O-N 3.44Å; H17-T21 WeakPolarHBondContact O-CB 3.49Å; H17-T21 PolarHBondContact O-N 3.16Å; H17-T21 PolarHBondContact O-OG1 3.47Å |
| 18 | T | 80.8 | Confident | 80.4 | Confident | 58 Ų | 58 | 77.5 Ų | 77.5 | 36% | 0.356 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -52.1 | 177 | -54.8 | 0 | 0 | 0 | 0 | 110.4 | R14 T15 L20 T21 W22 | R14-T18 VanDerWaalsContact O-CB 3.32Å; R14-T18 WeakPolarHBondContact O-CB 3.48Å; R14-T18 PolarHBondContact O-N 3.43Å; R14-T18 PolarHBondContact O-OG1 3.32Å; T15-T18 PolarHBondContact O-N 2.97Å; T18-L20 VanDerWaalsContact C-N 3.26Å; T18-L20 PolarHBondContact O-N 2.89Å; T18-T21 PolarHBondContact O-N 3Å; T18-W22 VanDerWaalsContact CG2-CD1 3.45Å; T18-W22 WeakPolarHBondContact O-CB 3.08Å; T18-W22 PolarHBondContact O-N 3.13Å |
| 19 | V | 89.9 | Confident | 81.3 | Confident | 104 Ų | 104 | 81.3 Ų | 81.3 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.1 | -38.4 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | T15 G16 G23 | T15-V19 VanDerWaalsContact O-CB 3.27Å; T15-V19 WeakPolarHBondContact O-CB 3.39Å; T15-V19 WeakPolarHBondContact O-CG2 3.45Å; T15-V19 PolarHBondContact O-N 3.21Å; G16-V19 PolarHBondContact O-N 3.01Å; V19-G23 WeakPolarHBondContact O-CA 3.29Å; V19-G23 PolarHBondContact O-N 3.42Å |
| 20 | L | 89.3 | Confident | 82.2 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.9 | -47.3 | 176.9 | -176.3 | 66.8 | 0 | 0 | 0 | 111.7 | G16 H17 T18 G23 I24 | G16-L20 WeakPolarHBondContact O-CB 3.42Å; G16-L20 PolarHBondContact O-N 3.26Å; H17-L20 PolarHBondContact O-N 3.44Å; T18-L20 VanDerWaalsContact C-N 3.26Å; T18-L20 PolarHBondContact O-N 2.89Å; L20-G23 PolarHBondContact O-N 3.21Å; L20-I24 HydrophobicContact CD1-CD1 3.97Å; L20-I24 HydrophobicContact CD1-CG1 4.3Å; L20-I24 HydrophobicContact CG-CD1 3.81Å; L20-I24 HydrophobicContact CG-CG1 4.48Å; L20-I24 WeakPolarHBondContact O-CB 3.36Å; L20-I24 WeakPolarHBondContact O-CD1 3.39Å; L20-I24 WeakPolarHBondContact O-CG1 3.34Å; L20-I24 PolarHBondContact O-N 3.46Å |
| 21 | T | 84 | Confident | 82.9 | Confident | 64 Ų | 64 | 83.3 Ų | 83.3 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 179.1 | -50.8 | 0 | 0 | 0 | 0 | 110.6 | H17 T18 I24 T25 | H17-T21 WeakPolarHBondContact O-CB 3.49Å; H17-T21 PolarHBondContact O-N 3.16Å; H17-T21 PolarHBondContact O-OG1 3.47Å; T18-T21 PolarHBondContact O-N 3Å; T21-I24 PolarHBondContact O-N 3.47Å; T21-T25 PolarHBondContact O-N 3.15Å; T21-T25 PolarHBondContact O-OG1 3.16Å |
| 22 | W | 84.6 | Confident | 83 | Confident | 84 Ų | 84 | 87 Ų | 87 | 32% | 0.318 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 178.2 | -75.3 | 95.3 | 0 | 0 | 0 | 112.6 | T18 T25 L26 F105 V109 V207 | T18-W22 VanDerWaalsContact CG2-CD1 3.45Å; T18-W22 WeakPolarHBondContact O-CB 3.08Å; T18-W22 PolarHBondContact O-N 3.13Å; W22-T25 PolarHBondContact O-N 2.75Å; W22-L26 WeakPolarHBondContact O-CB 3.48Å; W22-L26 PolarHBondContact O-N 2.92Å; W22-F105 HydrophobicContact CZ3-CZ 4.47Å; W22-V109 HydrophobicContact CE3-CG1 3.95Å; W22-V109 HydrophobicContact CE3-CG2 4.42Å; W22-V109 HydrophobicContact CH2-CG1 4.37Å; W22-V109 HydrophobicContact CH2-CG2 4.01Å; W22-V109 HydrophobicContact CZ3-CB 4.36Å; W22-V109 HydrophobicContact CZ3-CG1 3.81Å; W22-V109 HydrophobicContact CZ3-CG2 3.55Å; W22-V207 HydrophobicContact CH2-CG1 3.96Å |
| 23 | G | 94.3 | Very high | 82.8 | Confident | 30 Ų | 30 | 84.4 Ų | 84.4 | 31% | 0.309 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V19 L20 L26 V27 | V19-G23 WeakPolarHBondContact O-CA 3.29Å; V19-G23 PolarHBondContact O-N 3.42Å; L20-G23 PolarHBondContact O-N 3.21Å; G23-L26 PolarHBondContact O-N 2.8Å; G23-V27 WeakPolarHBondContact O-CB 3.18Å; G23-V27 VanDerWaalsContact O-CG2 3.29Å; G23-V27 WeakPolarHBondContact O-CG2 3.4Å; G23-V27 PolarHBondContact O-N 3.46Å |
| 24 | I | 88.6 | Confident | 82.8 | Confident | 85 Ų | 85 | 84.2 Ų | 84.2 | 44% | 0.436 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 174.3 | -69.9 | 165.9 | 0 | 0 | 0 | 110 | L20 T21 L26 V27 L28 | L20-I24 HydrophobicContact CD1-CD1 3.97Å; L20-I24 HydrophobicContact CD1-CG1 4.3Å; L20-I24 HydrophobicContact CG-CD1 3.81Å; L20-I24 HydrophobicContact CG-CG1 4.48Å; L20-I24 WeakPolarHBondContact O-CB 3.36Å; L20-I24 WeakPolarHBondContact O-CD1 3.39Å; L20-I24 WeakPolarHBondContact O-CG1 3.34Å; L20-I24 PolarHBondContact O-N 3.46Å; T21-I24 PolarHBondContact O-N 3.47Å; I24-L26 VanDerWaalsContact C-N 3.31Å; I24-L26 PolarHBondContact O-N 3.32Å; I24-V27 PolarHBondContact O-N 3.31Å; I24-L28 HydrophobicContact CG2-CD1 3.71Å; I24-L28 HydrophobicContact CG2-CG 4.09Å; I24-L28 WeakPolarHBondContact O-CB 3.18Å; I24-L28 VanDerWaalsContact O-CG 3.23Å; I24-L28 WeakPolarHBondContact O-CG 3.49Å; I24-L28 PolarHBondContact O-N 3.47Å |
| 25 | T | 82.4 | Confident | 82.7 | Confident | 76 Ų | 76 | 85.3 Ų | 85.3 | 47% | 0.466 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | T21 W22 L28 F29 | T21-T25 PolarHBondContact O-N 3.15Å; T21-T25 PolarHBondContact O-OG1 3.16Å; W22-T25 PolarHBondContact O-N 2.75Å; T25-L28 PolarHBondContact O-N 3.36Å; T25-F29 WeakPolarHBondContact O-CB 3.39Å; T25-F29 PolarHBondContact O-N 2.7Å |
| 26 | L | 87.6 | Confident | 82.6 | Confident | 96 Ų | 96 | 86 Ų | 86 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.6 | -178 | 66.1 | 0 | 0 | 0 | 112.1 | W22 G23 I24 L28 F29 L30 | W22-L26 WeakPolarHBondContact O-CB 3.48Å; W22-L26 PolarHBondContact O-N 2.92Å; G23-L26 PolarHBondContact O-N 2.8Å; I24-L26 VanDerWaalsContact C-N 3.31Å; I24-L26 PolarHBondContact O-N 3.32Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-F29 PolarHBondContact O-N 3.07Å; L26-L30 HydrophobicContact CD1-CD1 4.35Å; L26-L30 HydrophobicContact CD1-CG 4.43Å; L26-L30 HydrophobicContact CG-CD1 4.09Å; L26-L30 WeakPolarHBondContact O-CB 3.44Å; L26-L30 VanDerWaalsContact O-CG 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 3.21Å |
| 27 | V | 87.9 | Confident | 81.8 | Confident | 92 Ų | 92 | 86.3 Ų | 86.3 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 177.5 | 169 | 0 | 0 | 0 | 0 | 111 | G23 I24 L30 H31 | G23-V27 WeakPolarHBondContact O-CB 3.18Å; G23-V27 VanDerWaalsContact O-CG2 3.29Å; G23-V27 WeakPolarHBondContact O-CG2 3.4Å; G23-V27 PolarHBondContact O-N 3.46Å; I24-V27 PolarHBondContact O-N 3.31Å; V27-L30 PolarHBondContact O-N 2.99Å; V27-H31 VanDerWaalsContact O-CB 3.24Å; V27-H31 WeakPolarHBondContact O-CB 3.32Å; V27-H31 PolarHBondContact O-N 3.44Å |
| 28 | L | 83.3 | Confident | 81.4 | Confident | 112 Ų | 112 | 85.2 Ų | 85.2 | 59% | 0.586 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65 | -42 | 176.7 | -71.8 | 175.8 | 0 | 0 | 0 | 111.3 | I24 T25 L26 H31 D32 | I24-L28 HydrophobicContact CG2-CD1 3.71Å; I24-L28 HydrophobicContact CG2-CG 4.09Å; I24-L28 WeakPolarHBondContact O-CB 3.18Å; I24-L28 VanDerWaalsContact O-CG 3.23Å; I24-L28 WeakPolarHBondContact O-CG 3.49Å; I24-L28 PolarHBondContact O-N 3.47Å; T25-L28 PolarHBondContact O-N 3.36Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L28-H31 PolarHBondContact O-N 3.49Å; L28-D32 WeakPolarHBondContact O-CB 3.48Å; L28-D32 PolarHBondContact O-N 2.76Å |
| 29 | F | 85.8 | Confident | 81 | Confident | 119 Ų | 119 | 89.2 Ų | 89.2 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 174.9 | -176.9 | -95.4 | 0 | 0 | 0 | 111.6 | T25 L26 H31 D32 T33 | T25-F29 WeakPolarHBondContact O-CB 3.39Å; T25-F29 PolarHBondContact O-N 2.7Å; L26-F29 PolarHBondContact O-N 3.07Å; F29-H31 VanDerWaalsContact C-N 3.34Å; F29-H31 PolarHBondContact O-N 3.02Å; F29-D32 PolarHBondContact O-N 2.93Å; F29-D32 VanDerWaalsContact O-N 3.16Å; F29-T33 HydrophobicContact CD1-CG2 4.35Å; F29-T33 HydrophobicContact CE1-CG2 4.02Å; F29-T33 HydrophobicContact CZ-CG2 4.32Å; F29-T33 WeakPolarHBondContact O-CG2 3.09Å; F29-T33 PolarHBondContact O-N 3.17Å; F29-T33 PolarHBondContact O-OG1 3.42Å |
| 30 | L | 82.4 | Confident | 79.7 | Confident | 86 Ų | 86 | 88.2 Ų | 88.2 | 45% | 0.45 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 177.2 | -70.2 | 173.2 | 0 | 0 | 0 | 112.4 | L26 V27 D32 T33 D34 | L26-L30 HydrophobicContact CD1-CD1 4.35Å; L26-L30 HydrophobicContact CD1-CG 4.43Å; L26-L30 HydrophobicContact CG-CD1 4.09Å; L26-L30 WeakPolarHBondContact O-CB 3.44Å; L26-L30 VanDerWaalsContact O-CG 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 3.21Å; V27-L30 PolarHBondContact O-N 2.99Å; L30-D32 VanDerWaalsContact C-N 3.32Å; L30-T33 VanDerWaalsContact C-OG1 3.32Å; L30-T33 VanDerWaalsContact CA-OG1 3.29Å; L30-T33 WeakPolarHBondContact CA-OG1 3.3Å; L30-T33 PolarHBondContact O-N 3.37Å; L30-T33 PolarHBondContact O-OG1 2.94Å; L30-D34 PolarHBondContact O-N 3.44Å |
| 31 | H | 82.4 | Confident | 78.7 | Confident | 94 Ų | 94 | 88.7 Ų | 88.7 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 174.6 | -169.3 | -34.9 | 0 | 0 | 0 | 111.1 | V27 L28 F29 D34 K35 | V27-H31 VanDerWaalsContact O-CB 3.24Å; V27-H31 WeakPolarHBondContact O-CB 3.32Å; V27-H31 PolarHBondContact O-N 3.44Å; L28-H31 PolarHBondContact O-N 3.49Å; F29-H31 VanDerWaalsContact C-N 3.34Å; F29-H31 PolarHBondContact O-N 3.02Å; H31-D34 PolarHBondContact O-N 2.86Å; H31-K35 WeakPolarHBondContact CE1-CE 3.26Å; H31-K35 PolarHBondContact CE1-NZ 2.88Å; H31-K35 PolarHBondContact ND1-NZ 2.78Å; H31-K35 WeakPolarHBondContact O-CB 3.14Å; H31-K35 WeakPolarHBondContact O-CG 3.24Å; H31-K35 PolarHBondContact O-N 3.25Å |
| 32 | D | 76.4 | Confident | 77.8 | Confident | 109 Ų | 109 | 87.8 Ų | 87.8 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69 | -38.1 | 176.4 | -150.5 | 50.4 | 0 | 0 | 0 | 111 | L28 F29 L30 D34 K35 S36 | L28-D32 WeakPolarHBondContact O-CB 3.48Å; L28-D32 PolarHBondContact O-N 2.76Å; F29-D32 PolarHBondContact O-N 2.93Å; F29-D32 VanDerWaalsContact O-N 3.16Å; L30-D32 VanDerWaalsContact C-N 3.32Å; D32-D34 VanDerWaalsContact C-N 3.35Å; D32-D34 PolarHBondContact O-N 2.97Å; D32-K35 PolarHBondContact O-N 3.11Å; D32-S36 WeakPolarHBondContact O-CB 3.35Å; D32-S36 PolarHBondContact O-N 3.04Å; D32-S36 PolarHBondContact O-OG 3.48Å |
| 33 | T | 73 | Confident | 76.8 | Confident | 54 Ų | 54 | 87.9 Ų | 87.9 | 33% | 0.331 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 171 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | F29 L30 S36 A37 | F29-T33 HydrophobicContact CD1-CG2 4.35Å; F29-T33 HydrophobicContact CE1-CG2 4.02Å; F29-T33 HydrophobicContact CZ-CG2 4.32Å; F29-T33 WeakPolarHBondContact O-CG2 3.09Å; F29-T33 PolarHBondContact O-N 3.17Å; F29-T33 PolarHBondContact O-OG1 3.42Å; L30-T33 VanDerWaalsContact C-OG1 3.32Å; L30-T33 VanDerWaalsContact CA-OG1 3.29Å; L30-T33 WeakPolarHBondContact CA-OG1 3.3Å; L30-T33 PolarHBondContact O-N 3.37Å; L30-T33 PolarHBondContact O-OG1 2.94Å; T33-S36 WeakPolarHBondContact CA-OG 3.45Å; T33-S36 PolarHBondContact O-N 3.42Å; T33-S36 PolarHBondContact O-OG 2.81Å; T33-A37 WeakPolarHBondContact O-CB 3.28Å; T33-A37 PolarHBondContact O-N 3.13Å |
| 34 | D | 74.1 | Confident | 75 | Confident | 102 Ų | 102 | 90.7 Ų | 90.7 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 176.9 | -76.3 | -8.9 | 0 | 0 | 0 | 112 | L30 H31 D32 S36 A37 D38 | L30-D34 PolarHBondContact O-N 3.44Å; H31-D34 PolarHBondContact O-N 2.86Å; D32-D34 VanDerWaalsContact C-N 3.35Å; D32-D34 PolarHBondContact O-N 2.97Å; D34-S36 VanDerWaalsContact C-N 3.32Å; D34-S36 PolarHBondContact O-N 3.2Å; D34-A37 WeakPolarHBondContact O-CB 3.46Å; D34-A37 PolarHBondContact O-N 3.04Å; D34-A37 VanDerWaalsContact O-N 3.15Å; D34-D38 PolarHBondContact O-N 3.2Å |
| 35 | K | 69.3 | Low | 73.6 | Confident | 111 Ų | 111 | 89.3 Ų | 89.3 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.9 | -81.1 | -177.5 | 179.3 | 112.6 | 0 | 111.6 | H31 D32 A37 D38 E39 | H31-K35 WeakPolarHBondContact CE1-CE 3.26Å; H31-K35 PolarHBondContact CE1-NZ 2.88Å; H31-K35 PolarHBondContact ND1-NZ 2.78Å; H31-K35 WeakPolarHBondContact O-CB 3.14Å; H31-K35 WeakPolarHBondContact O-CG 3.24Å; H31-K35 PolarHBondContact O-N 3.25Å; D32-K35 PolarHBondContact O-N 3.11Å; K35-A37 VanDerWaalsContact C-N 3.29Å; K35-A37 PolarHBondContact O-N 2.9Å; K35-D38 PolarHBondContact O-N 3.39Å; K35-E39 WeakPolarHBondContact O-CB 3.4Å; K35-E39 PolarHBondContact O-N 3.1Å |
| 36 | S | 73.6 | Confident | 72.2 | Confident | 62 Ų | 62 | 92 Ų | 92 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 176.1 | 75.6 | 0 | 0 | 0 | 0 | 111.4 | D32 T33 D34 L40 | D32-S36 WeakPolarHBondContact O-CB 3.35Å; D32-S36 PolarHBondContact O-N 3.04Å; D32-S36 PolarHBondContact O-OG 3.48Å; T33-S36 WeakPolarHBondContact CA-OG 3.45Å; T33-S36 PolarHBondContact O-N 3.42Å; T33-S36 PolarHBondContact O-OG 2.81Å; D34-S36 VanDerWaalsContact C-N 3.32Å; D34-S36 PolarHBondContact O-N 3.2Å; S36-L40 WeakPolarHBondContact O-CB 3.07Å; S36-L40 WeakPolarHBondContact O-CD1 3.44Å; S36-L40 WeakPolarHBondContact O-CG 3.48Å; S36-L40 PolarHBondContact O-N 3.18Å; S36-L40 VanDerWaalsContact O-N 3.17Å |
| 37 | A | 69.1 | Low | 70.7 | Confident | 44 Ų | 44 | 90.3 Ų | 90.3 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T33 D34 K35 L40 L41 | T33-A37 WeakPolarHBondContact O-CB 3.28Å; T33-A37 PolarHBondContact O-N 3.13Å; D34-A37 WeakPolarHBondContact O-CB 3.46Å; D34-A37 PolarHBondContact O-N 3.04Å; D34-A37 VanDerWaalsContact O-N 3.15Å; K35-A37 VanDerWaalsContact C-N 3.29Å; K35-A37 PolarHBondContact O-N 2.9Å; A37-L40 PolarHBondContact O-N 3.01Å; A37-L41 WeakPolarHBondContact O-CG 3.45Å; A37-L41 PolarHBondContact O-N 3.47Å |
| 38 | D | 70.6 | Confident | 68.9 | Low | 104 Ų | 104 | 93.1 Ų | 93.1 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.8 | -39 | 178.1 | -76.9 | -21.7 | 0 | 0 | 0 | 112.4 | D34 K35 L40 L41 A42 | D34-D38 PolarHBondContact O-N 3.2Å; K35-D38 PolarHBondContact O-N 3.39Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L41 PolarHBondContact O-N 3.04Å; D38-A42 WeakPolarHBondContact O-CB 3.48Å; D38-A42 PolarHBondContact O-N 3.21Å |
| 39 | E | 71.9 | Confident | 67.7 | Low | 141 Ų | 141 | 92 Ų | 92 | 66% | 0.659 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.7 | -34.6 | 177.7 | -167.4 | 160.1 | -176.3 | 0 | 0 | 111.8 | K35 A42 T43 | K35-E39 WeakPolarHBondContact O-CB 3.4Å; K35-E39 PolarHBondContact O-N 3.1Å; E39-A42 PolarHBondContact O-N 3.01Å; E39-T43 WeakPolarHBondContact O-CG2 3.21Å; E39-T43 PolarHBondContact O-N 2.98Å; E39-T43 PolarHBondContact O-OG1 2.7Å |
| 40 | L | 63.4 | Low | 66.4 | Low | 83 Ų | 83 | 93.1 Ų | 93.1 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 170.8 | -71 | 169.3 | 0 | 0 | 0 | 112.1 | S36 A37 D38 T43 H44 W93 | S36-L40 WeakPolarHBondContact O-CB 3.07Å; S36-L40 WeakPolarHBondContact O-CD1 3.44Å; S36-L40 WeakPolarHBondContact O-CG 3.48Å; S36-L40 PolarHBondContact O-N 3.18Å; S36-L40 VanDerWaalsContact O-N 3.17Å; A37-L40 PolarHBondContact O-N 3.01Å; D38-L40 VanDerWaalsContact C-N 3.34Å; L40-T43 WeakPolarHBondContact CA-OG1 3.47Å; L40-T43 PolarHBondContact O-OG1 3.49Å; L40-H44 WeakPolarHBondContact O-CB 3.48Å; L40-H44 PolarHBondContact O-N 2.91Å; L40-H44 VanDerWaalsContact O-N 3.13Å; L40-W93 HydrophobicContact CD1-CZ3 4.05Å; L40-W93 HydrophobicContact CD2-CH2 4.08Å; L40-W93 HydrophobicContact CD2-CZ3 3.97Å |
| 41 | L | 67.4 | Low | 65.1 | Low | 114 Ų | 114 | 94.7 Ų | 94.7 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.4 | -38.5 | 174.3 | -72.2 | 169.3 | 0 | 0 | 0 | 111.9 | A37 D38 H44 S45 | A37-L41 WeakPolarHBondContact O-CG 3.45Å; A37-L41 PolarHBondContact O-N 3.47Å; D38-L41 PolarHBondContact O-N 3.04Å; L41-H44 PolarHBondContact O-N 3.36Å; L41-S45 PolarHBondContact O-N 3.16Å |
| 42 | A | 65.6 | Low | 63.8 | Low | 46 Ų | 46 | 95.3 Ų | 95.3 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | D38 E39 H44 S45 H46 | D38-A42 WeakPolarHBondContact O-CB 3.48Å; D38-A42 PolarHBondContact O-N 3.21Å; E39-A42 PolarHBondContact O-N 3.01Å; A42-H44 VanDerWaalsContact C-N 3.34Å; A42-H44 PolarHBondContact O-N 3.37Å; A42-S45 PolarHBondContact O-N 2.89Å; A42-S45 PolarHBondContact O-OG 3.48Å; A42-H46 PolarHBondContact O-CD2 3.15Å; A42-H46 PolarHBondContact O-N 2.85Å; A42-H46 VanDerWaalsContact O-N 3.15Å |
| 43 | T | 64.3 | Low | 62.8 | Low | 85 Ų | 85 | 96.5 Ų | 96.5 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 176.3 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | E39 L40 H46 S47 | E39-T43 WeakPolarHBondContact O-CG2 3.21Å; E39-T43 PolarHBondContact O-N 2.98Å; E39-T43 PolarHBondContact O-OG1 2.7Å; L40-T43 WeakPolarHBondContact CA-OG1 3.47Å; L40-T43 PolarHBondContact O-OG1 3.49Å; T43-H46 PolarHBondContact O-N 3.39Å; T43-S47 PolarHBondContact O-N 2.97Å |
| 44 | H | 56.7 | Low | 61.8 | Low | 89 Ų | 89 | 97.2 Ų | 97.2 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 174.2 | -168.5 | -112.7 | 0 | 0 | 0 | 112.7 | L40 L41 A42 H46 S47 W48 | L40-H44 WeakPolarHBondContact O-CB 3.48Å; L40-H44 PolarHBondContact O-N 2.91Å; L40-H44 VanDerWaalsContact O-N 3.13Å; L41-H44 PolarHBondContact O-N 3.36Å; A42-H44 VanDerWaalsContact C-N 3.34Å; A42-H44 PolarHBondContact O-N 3.37Å; H44-H46 VanDerWaalsContact C-N 3.33Å; H44-H46 PolarHBondContact O-N 2.91Å; H44-S47 PolarHBondContact O-N 3.47Å; H44-W48 AromaticContact CE1-CD1 3.47Å; H44-W48 VanDerWaalsContact CE1-CD1 3.47Å; H44-W48 AromaticContact CE1-NE1 3.11Å; H44-W48 PolarHBondContact CE1-NE1 2.98Å; H44-W48 AromaticContact ND1-CD1 3.72Å; H44-W48 AromaticContact ND1-NE1 3.84Å; H44-W48 AromaticContact NE2-CD1 3.77Å; H44-W48 AromaticContact NE2-NE1 3.35Å; H44-W48 PolarHBondContact NE2-NE1 3.41Å; H44-W48 PolarHBondContact O-N 2.89Å; H44-W48 VanDerWaalsContact O-N 3.16Å |
| 45 | S | 57.7 | Low | 60.8 | Low | 56 Ų | 56 | 100.8 Ų | 100.8 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -35.2 | 175.7 | 80.4 | 0 | 0 | 0 | 0 | 113.3 | L41 A42 N49 | L41-S45 PolarHBondContact O-N 3.16Å; A42-S45 PolarHBondContact O-N 2.89Å; A42-S45 PolarHBondContact O-OG 3.48Å; S45-N49 PolarHBondContact O-N 3.05Å; S45-N49 PolarHBondContact O-ND2 2.99Å |
| 46 | H | 54.7 | Low | 59.9 | Low | 133 Ų | 133 | 99 Ų | 99 | 62% | 0.616 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.7 | -36.9 | 175.8 | -89.8 | -74.3 | 0 | 0 | 0 | 112.6 | A42 T43 H44 N49 Q50 | A42-H46 PolarHBondContact O-CD2 3.15Å; A42-H46 PolarHBondContact O-N 2.85Å; A42-H46 VanDerWaalsContact O-N 3.15Å; T43-H46 PolarHBondContact O-N 3.39Å; H44-H46 VanDerWaalsContact C-N 3.33Å; H44-H46 PolarHBondContact O-N 2.91Å; H46-N49 PolarHBondContact O-N 3.48Å; H46-Q50 PolarHBondContact O-N 3.32Å |
| 47 | S | 55.5 | Low | 58.5 | Low | 60 Ų | 60 | 103.7 Ų | 103.7 | 42% | 0.42 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 112.3 | T43 H44 N49 Q50 H51 | T43-S47 PolarHBondContact O-N 2.97Å; H44-S47 PolarHBondContact O-N 3.47Å; S47-N49 PolarHBondContact O-N 3.44Å; S47-Q50 PolarHBondContact O-N 3.4Å; S47-H51 PolarHBondContact O-N 3.27Å; S47-H51 VanDerWaalsContact O-N 3.17Å |
| 48 | W | 50.7 | Low | 57.7 | Low | 152 Ų | 152 | 107.5 Ų | 107.5 | 58% | 0.576 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.3 | -39.9 | 176.3 | -89.2 | 94.9 | 0 | 0 | 0 | 113.2 | H44 Q50 H51 L52 | H44-W48 AromaticContact CE1-CD1 3.47Å; H44-W48 VanDerWaalsContact CE1-CD1 3.47Å; H44-W48 AromaticContact CE1-NE1 3.11Å; H44-W48 PolarHBondContact CE1-NE1 2.98Å; H44-W48 AromaticContact ND1-CD1 3.72Å; H44-W48 AromaticContact ND1-NE1 3.84Å; H44-W48 AromaticContact NE2-CD1 3.77Å; H44-W48 AromaticContact NE2-NE1 3.35Å; H44-W48 PolarHBondContact NE2-NE1 3.41Å; H44-W48 PolarHBondContact O-N 2.89Å; H44-W48 VanDerWaalsContact O-N 3.16Å; W48-Q50 VanDerWaalsContact C-N 3.33Å; W48-Q50 PolarHBondContact O-N 2.86Å; W48-H51 PolarHBondContact O-N 3.46Å; W48-L52 WeakPolarHBondContact O-CG 3.48Å; W48-L52 PolarHBondContact O-N 3.29Å |
| 49 | N | 57 | Low | 56.9 | Low | 89 Ų | 89 | 105.9 Ų | 105.9 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.6 | -32.5 | 177.4 | -80.7 | -32 | 0 | 0 | 0 | 112.8 | S45 H46 S47 Q53 | S45-N49 PolarHBondContact O-N 3.05Å; S45-N49 PolarHBondContact O-ND2 2.99Å; H46-N49 PolarHBondContact O-N 3.48Å; S47-N49 PolarHBondContact O-N 3.44Å; N49-Q53 VanDerWaalsContact O-CG 3.3Å; N49-Q53 WeakPolarHBondContact O-CG 3.27Å; N49-Q53 PolarHBondContact O-N 3.29Å |
| 50 | Q | 57.9 | Low | 55.4 | Low | 141 Ų | 141 | 105.3 Ų | 105.3 | 66% | 0.659 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69 | -38.6 | 172.9 | -76.9 | -179.2 | -8.9 | 0 | 0 | 112.3 | H46 S47 W48 Q53 A54 | H46-Q50 PolarHBondContact O-N 3.32Å; S47-Q50 PolarHBondContact O-N 3.4Å; W48-Q50 VanDerWaalsContact C-N 3.33Å; W48-Q50 PolarHBondContact O-N 2.86Å; Q50-Q53 PolarHBondContact O-N 3.18Å; Q50-A54 PolarHBondContact O-N 2.9Å |
| 51 | H | 55.4 | Low | 54.5 | Low | 120 Ų | 120 | 110.6 Ų | 110.6 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.9 | -40.2 | 176.4 | -98.8 | -108.2 | 0 | 0 | 0 | 112.8 | S47 W48 Q53 A54 F55 | S47-H51 PolarHBondContact O-N 3.27Å; S47-H51 VanDerWaalsContact O-N 3.17Å; W48-H51 PolarHBondContact O-N 3.46Å; H51-Q53 VanDerWaalsContact C-N 3.31Å; H51-Q53 PolarHBondContact O-N 3.41Å; H51-A54 PolarHBondContact O-N 2.89Å; H51-F55 VanDerWaalsContact O-CD2 3.28Å; H51-F55 WeakPolarHBondContact O-CD2 3.23Å |
| 52 | L | 55.8 | Low | 53.1 | Low | 106 Ų | 106 | 114.5 Ų | 114.5 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.9 | -30.7 | 177.6 | -72.5 | 169.5 | 0 | 0 | 0 | 112.9 | W48 A54 F55 | W48-L52 WeakPolarHBondContact O-CG 3.48Å; W48-L52 PolarHBondContact O-N 3.29Å; L52-A54 VanDerWaalsContact C-N 3.33Å; L52-F55 PolarHBondContact O-N 3.26Å |
| 53 | Q | 55.5 | Low | 52 | Low | 134 Ų | 134 | 118 Ų | 118 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.8 | -24.3 | 175 | -72.3 | 173.4 | 5.1 | 0 | 0 | 113.2 | N49 Q50 H51 | N49-Q53 VanDerWaalsContact O-CG 3.3Å; N49-Q53 WeakPolarHBondContact O-CG 3.27Å; N49-Q53 PolarHBondContact O-N 3.29Å; Q50-Q53 PolarHBondContact O-N 3.18Å; H51-Q53 VanDerWaalsContact C-N 3.31Å; H51-Q53 PolarHBondContact O-N 3.41Å |
| 54 | A | 51.7 | Low | 51.1 | Low | 70 Ų | 70 | 120.5 Ų | 120.5 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.4 | -26.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q50 H51 L52 | Q50-A54 PolarHBondContact O-N 2.9Å; H51-A54 PolarHBondContact O-N 2.89Å; L52-A54 VanDerWaalsContact C-N 3.33Å |
| 55 | F | 52.4 | Low | 50.3 | Low | 176 Ų | 176 | 121.8 Ų | 121.8 | 77% | 0.772 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -6.3 | 177.5 | -73.1 | -75.5 | 0 | 0 | 0 | 114.1 | H51 L52 | H51-F55 VanDerWaalsContact O-CD2 3.28Å; H51-F55 WeakPolarHBondContact O-CD2 3.23Å; L52-F55 PolarHBondContact O-N 3.26Å |
| 56 | A | 50.9 | Low | 49.7 | Very low | 73 Ų | 73 | 127 Ų | 127 | 60% | 0.603 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 26.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P58 | A56-P58 WeakPolarHBondContact O-CD 3.44Š|
| 57 | Q | 45.4 | Very low | 48.8 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -88.2 | 112.8 | 172.8 | -66.2 | -69.2 | -44.3 | 0 | 0 | 110.1 | ||||
| 58 | P | 51.7 | Low | 48.1 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | -84.9 | 122.7 | 176.3 | 31.7 | -28 | 0 | 0 | 0 | 110.6 | A56 | A56-P58 WeakPolarHBondContact O-CD 3.44Š| ||
| 59 | G | 53.1 | Low | 47.5 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 104.7 | 97 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 60 | T | 40 | Very low | 46.7 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -135.7 | 122.5 | 144 | 51.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 61 | H | 44.9 | Very low | 46.1 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -51.7 | 138.8 | 179.4 | -73.7 | -106.8 | 0 | 0 | 0 | 113.1 | ||||
| 62 | F | 39.2 | Very low | 46 | Very low | 196 Ų | 196 | 130 Ų | 130 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -113.3 | 138 | 161.1 | -93 | -86.2 | 0 | 0 | 0 | 109.7 | ||||
| 63 | P | 41.4 | Very low | 45.3 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -79.1 | 155 | 177.7 | 32.8 | -31.4 | 0 | 0 | 0 | 111.9 | ||||
| 64 | T | 45.3 | Very low | 44.9 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -64 | 142.3 | -173 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 65 | S | 40.3 | Very low | 45.1 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -148 | 137 | 142.4 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 66 | N | 45.2 | Very low | 44.7 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -69.4 | 136.7 | -173.8 | -73.5 | -27.3 | 0 | 0 | 0 | 112.5 | ||||
| 67 | C | 36 | Very low | 44.6 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -135.3 | 120.1 | 161.5 | -76.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 68 | T | 39.8 | Very low | 44.8 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -67.8 | 152.1 | 173 | -6.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 69 | P | 38.1 | Very low | 44.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -83.6 | 135.3 | -176.9 | 32 | -30.6 | 0 | 0 | 0 | 112.3 | ||||
| 70 | T | 41.4 | Very low | 44.3 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -121.5 | 154.6 | 166 | 37.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 71 | P | 45.1 | Very low | 44.6 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -81.3 | 169.1 | -164.1 | 34 | -35.4 | 0 | 0 | 0 | 113.8 | ||||
| 72 | P | 52.9 | Low | 44.6 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -90.4 | 132.9 | -159.1 | 34.6 | -31.4 | 0 | 0 | 0 | 113.2 | ||||
| 73 | T | 42 | Very low | 44.8 | Very low | 138 Ų | 138 | 125 Ų | 125 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -157.6 | 168.6 | 153.9 | 48.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 74 | P | 46.9 | Very low | 45.3 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | -107.4 | 156.7 | -76.2 | 28.6 | -11.1 | 0 | 0 | 0 | 112.3 | |||||
| 75 | V | 54.6 | Low | 45.8 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | -0 | 110.7 | 165.9 | -172.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 76 | L | 45.2 | Very low | 46.5 | Very low | 158 Ų | 158 | 120.2 Ų | 120.2 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 151.1 | 158.3 | -87.1 | 164.8 | 0 | 0 | 0 | 110.1 | ||
| 77 | P | 47.3 | Very low | 47.2 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -67 | 144.7 | -170.2 | 29.1 | -32.9 | 0 | 0 | 0 | 110.7 | ||
| 78 | G | 49.8 | Very low | 48.3 | Very low | 60 Ų | 60 | 113.1 Ų | 113.1 | 62% | 0.619 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 161.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A80 | G78-A80 PolarHBondContact O-N 2.96Š|
| 79 | P | 46.6 | Very low | 49.1 | Very low | 135 Ų | 135 | 113 Ų | 113 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119.6 | 179.9 | 25.1 | -31.9 | 0 | 0 | 0 | 108.4 | S81 | P79-S81 PolarHBondContact O-N 3.41Å; P79-S81 VanDerWaalsContact O-N 3.11Å |
| 80 | A | 48.3 | Very low | 49.9 | Very low | 85 Ų | 85 | 111.6 Ų | 111.6 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 122.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | G78 L82 | G78-A80 PolarHBondContact O-N 2.96Å; A80-L82 PolarHBondContact O-N 3.36Å |
| 81 | S | 47 | Very low | 50.7 | Low | 105 Ų | 105 | 113.6 Ų | 113.6 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | -49.9 | 108.7 | 168.1 | 39.3 | 0 | 0 | 0 | 0 | 108.1 | P79 C83 | P79-S81 PolarHBondContact O-N 3.41Å; P79-S81 VanDerWaalsContact O-N 3.11Å; S81-C83 PolarHBondContact O-N 3.5Å | ||
| 82 | L | 44.6 | Very low | 51.4 | Low | 160 Ų | 160 | 113.2 Ų | 113.2 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | trans | -64.9 | 76.6 | 163.4 | -115.8 | 78.4 | 0 | 0 | 0 | 106.9 | A80 S84 | A80-L82 PolarHBondContact O-N 3.36Å; L82-S84 PolarHBondContact O-N 3.46Å | ||
| 83 | C | 43.8 | Very low | 51.2 | Low | 110 Ų | 110 | 115.1 Ų | 115.1 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | trans | -66.6 | 91.6 | 150.3 | -84.4 | 0 | 0 | 0 | 0 | 104.8 | S81 P85 | S81-C83 PolarHBondContact O-N 3.5Å; C83-P85 WeakPolarHBondContact O-CD 3.39Å; C83-P85 VanDerWaalsContact O-N 3.09Å | ||
| 84 | S | 51.6 | Low | 51.9 | Low | 97 Ų | 97 | 116.5 Ų | 116.5 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | trans | -53.9 | 115.4 | 158.8 | -75.4 | 0 | 0 | 0 | 0 | 105.8 | L82 A86 | L82-S84 PolarHBondContact O-N 3.46Å; S84-A86 PolarHBondContact O-N 2.93Å | ||
| 85 | P | 55.2 | Low | 52.4 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | trans | -56.3 | 131.2 | 166.5 | 24.7 | -29.7 | 0 | 0 | 0 | 105.6 | C83 S87 | C83-P85 WeakPolarHBondContact O-CD 3.39Å; C83-P85 VanDerWaalsContact O-N 3.09Å; P85-S87 PolarHBondContact O-N 3.4Å; P85-S87 VanDerWaalsContact O-N 3.1Å | ||
| 86 | A | 54.3 | Low | 52.7 | Low | 66 Ų | 66 | 116.9 Ų | 116.9 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | trans | -41 | 126.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | S84 | S84-A86 PolarHBondContact O-N 2.93Š| ||
| 87 | S | 60.2 | Low | 53.1 | Low | 42 Ų | 42 | 111.9 Ų | 111.9 | 29% | 0.294 | 65% | 0.649 | S | S | . | * | trans | -48.6 | 140.2 | -168.7 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | P85 E89 L90 R91 | P85-S87 PolarHBondContact O-N 3.4Å; P85-S87 VanDerWaalsContact O-N 3.1Å; S87-E89 PolarHBondContact O-N 2.94Å; S87-L90 PolarHBondContact O-N 3.41Å; S87-L90 WeakPolarHBondContact OG-CG 3.39Å; S87-L90 PolarHBondContact OG-N 3.49Å; S87-R91 PolarHBondContact O-N 2.88Å | ||
| 88 | P | 59 | Low | 54.3 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -53.9 | -23.3 | 175.8 | 19.9 | -30.4 | 0 | 0 | 0 | 111.8 | Q92 | P88-Q92 VanDerWaalsContact O-CB 3.24Å; P88-Q92 WeakPolarHBondContact O-CB 3.37Å; P88-Q92 PolarHBondContact O-N 2.92Å |
| 89 | E | 57.3 | Low | 55.6 | Low | 130 Ų | 130 | 115.7 Ų | 115.7 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.6 | -45.5 | 168.8 | -67.6 | -174.3 | 140.2 | 0 | 0 | 113.6 | S87 R91 Q92 W93 | S87-E89 PolarHBondContact O-N 2.94Å; E89-R91 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 3.01Å; E89-Q92 WeakPolarHBondContact O-CA 3.37Å; E89-Q92 WeakPolarHBondContact O-CB 3.22Å; E89-Q92 PolarHBondContact O-N 3.45Å; E89-W93 PolarHBondContact O-N 2.92Å; E89-W93 VanDerWaalsContact O-N 3.07Å |
| 90 | L | 55 | Low | 57.4 | Low | 96 Ų | 96 | 114.9 Ų | 114.9 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66 | -36.2 | 178.3 | -73.9 | 168.6 | 0 | 0 | 0 | 112.2 | S87 Q92 W93 E94 | S87-L90 PolarHBondContact O-N 3.41Å; S87-L90 WeakPolarHBondContact OG-CG 3.39Å; S87-L90 PolarHBondContact OG-N 3.49Å; L90-Q92 VanDerWaalsContact C-N 3.32Å; L90-W93 PolarHBondContact O-N 3.43Å; L90-E94 PolarHBondContact O-N 3.48Å |
| 91 | R | 58.9 | Low | 59.2 | Low | 176 Ų | 176 | 115.4 Ų | 115.4 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.8 | -35.5 | 168.9 | -80.9 | -176.1 | -170.4 | -123.8 | -0.9 | 112 | S87 E89 W93 E94 E95 | S87-R91 PolarHBondContact O-N 2.88Å; E89-R91 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 3.01Å; R91-W93 VanDerWaalsContact C-N 3.31Å; R91-W93 PolarHBondContact O-N 2.88Å; R91-E94 PolarHBondContact O-N 3.46Å; R91-E95 WeakPolarHBondContact O-CB 3.33Å; R91-E95 WeakPolarHBondContact O-CG 3.24Å; R91-E95 PolarHBondContact O-N 3.34Å |
| 92 | Q | 57.8 | Low | 61.2 | Low | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.7 | -31.1 | 179.8 | -174.2 | 174.6 | -16.8 | 0 | 0 | 112.5 | P88 E89 L90 Q96 | P88-Q92 VanDerWaalsContact O-CB 3.24Å; P88-Q92 WeakPolarHBondContact O-CB 3.37Å; P88-Q92 PolarHBondContact O-N 2.92Å; E89-Q92 WeakPolarHBondContact O-CA 3.37Å; E89-Q92 WeakPolarHBondContact O-CB 3.22Å; E89-Q92 PolarHBondContact O-N 3.45Å; L90-Q92 VanDerWaalsContact C-N 3.32Å; Q92-Q96 VanDerWaalsContact O-CB 3.29Å; Q92-Q96 WeakPolarHBondContact O-CB 3.29Å; Q92-Q96 WeakPolarHBondContact O-CG 3.44Å; Q92-Q96 PolarHBondContact O-N 3.41Å |
| 93 | W | 48.8 | Very low | 63.3 | Low | 162 Ų | 162 | 109.2 Ų | 109.2 | 61% | 0.614 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.2 | -30.4 | 174.9 | -70.8 | 52.4 | 0 | 0 | 0 | 112.4 | L40 E89 L90 R91 | L40-W93 HydrophobicContact CD1-CZ3 4.05Å; L40-W93 HydrophobicContact CD2-CH2 4.08Å; L40-W93 HydrophobicContact CD2-CZ3 3.97Å; E89-W93 PolarHBondContact O-N 2.92Å; E89-W93 VanDerWaalsContact O-N 3.07Å; L90-W93 PolarHBondContact O-N 3.43Å; R91-W93 VanDerWaalsContact C-N 3.31Å; R91-W93 PolarHBondContact O-N 2.88Å |
| 94 | E | 58.2 | Low | 65.6 | Low | 168 Ų | 168 | 105.9 Ų | 105.9 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.8 | -35.4 | 170.2 | -169 | 167.4 | -165.1 | 0 | 0 | 111.9 | L90 R91 | L90-E94 PolarHBondContact O-N 3.48Å; R91-E94 PolarHBondContact O-N 3.46Å |
| 95 | E | 57.6 | Low | 67.5 | Low | 162 Ų | 162 | 104.5 Ų | 104.5 | 76% | 0.757 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -78.7 | -17.5 | 174.7 | -70.9 | -85 | 160.7 | 0 | 0 | 113.3 | R91 G97 | R91-E95 WeakPolarHBondContact O-CB 3.33Å; R91-E95 WeakPolarHBondContact O-CG 3.24Å; R91-E95 PolarHBondContact O-N 3.34Å; E95-G97 PolarHBondContact O-N 2.82Å; E95-G97 VanDerWaalsContact O-N 3.16Å |
| 96 | Q | 59.7 | Low | 69.3 | Low | 105 Ų | 105 | 104.2 Ų | 104.2 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -4.2 | 176.1 | -93.6 | 168.3 | -4.6 | 0 | 0 | 113.7 | Q92 E98 | Q92-Q96 VanDerWaalsContact O-CB 3.29Å; Q92-Q96 WeakPolarHBondContact O-CB 3.29Å; Q92-Q96 WeakPolarHBondContact O-CG 3.44Å; Q92-Q96 PolarHBondContact O-N 3.41Å; Q96-E98 WeakPolarHBondContact O-CG 3.23Å; Q96-E98 PolarHBondContact O-N 2.71Å |
| 97 | G | 55 | Low | 71.3 | Confident | 53 Ų | 53 | 106.5 Ų | 106.5 | 55% | 0.546 | 54% | 0.537 | S | S | . | . | trans | 60 | 6.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | E95 L99 | E95-G97 PolarHBondContact O-N 2.82Å; E95-G97 VanDerWaalsContact O-N 3.16Å; G97-L99 PolarHBondContact O-N 2.81Å | ||
| 98 | E | 70.8 | Confident | 72.9 | Confident | 141 Ų | 141 | 106.5 Ų | 106.5 | 66% | 0.659 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 31.4 | -179.4 | -69.4 | -63.5 | 147.8 | 0 | 0 | 111.9 | Q96 L100 L101 P102 | Q96-E98 WeakPolarHBondContact O-CG 3.23Å; Q96-E98 PolarHBondContact O-N 2.71Å; E98-L100 PolarHBondContact O-N 3.33Å; E98-L100 VanDerWaalsContact O-N 3.13Å; E98-L101 PolarHBondContact O-N 3.49Å; E98-P102 WeakPolarHBondContact O-CD 3.29Å |
| 99 | L | 77.2 | Confident | 74.6 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.5 | 170.4 | -172.8 | 62.4 | 0 | 0 | 0 | 111.3 | G97 L101 P102 L103 | G97-L99 PolarHBondContact O-N 2.81Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3.24Å; L99-P102 HydrophobicContact CD1-CG 4.17Å; L99-P102 VanDerWaalsContact O-CD 3.26Å; L99-P102 WeakPolarHBondContact O-CD 3.43Å; L99-P102 WeakPolarHBondContact O-CG 3.36Å; L99-L103 HydrophobicContact CD1-CG 4.29Å; L99-L103 HydrophobicContact CD2-CD1 3.98Å; L99-L103 HydrophobicContact CG-CD1 3.66Å; L99-L103 HydrophobicContact CG-CG 3.9Å; L99-L103 VanDerWaalsContact O-CB 3.24Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 3.08Å |
| 100 | L | 84.6 | Confident | 76.4 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58 | -41.9 | 174.8 | -174.7 | 63.7 | 0 | 0 | 0 | 112.3 | E98 L103 T104 | E98-L100 PolarHBondContact O-N 3.33Å; E98-L100 VanDerWaalsContact O-N 3.13Å; L100-L103 PolarHBondContact O-N 3.29Å; L100-T104 HydrophobicContact CD1-CG2 3.9Å; L100-T104 HydrophobicContact CG-CG2 4.13Å; L100-T104 VanDerWaalsContact O-CB 3.3Å; L100-T104 WeakPolarHBondContact O-CB 3.46Å; L100-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 PolarHBondContact O-N 3.03Å; L100-T104 PolarHBondContact O-OG1 2.83Å |
| 101 | L | 85.9 | Confident | 78.4 | Confident | 96 Ų | 96 | 97.2 Ų | 97.2 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -52.3 | -178.3 | -161.5 | 81.4 | 0 | 0 | 0 | 113.1 | E98 L99 L103 T104 F105 W210 | E98-L101 PolarHBondContact O-N 3.49Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3.24Å; L101-L103 PolarHBondContact O-N 3.42Å; L101-T104 WeakPolarHBondContact CA-OG1 3.44Å; L101-T104 PolarHBondContact O-N 3.31Å; L101-T104 PolarHBondContact O-OG1 3.45Å; L101-F105 PolarHBondContact O-N 2.87Å; L101-W210 HydrophobicContact CD1-CH2 3.77Å; L101-W210 HydrophobicContact CD1-CZ2 3.25Å; L101-W210 HydrophobicContact CG-CZ2 3.66Å |
| 102 | P | 88.9 | Confident | 80.1 | Confident | 53 Ų | 53 | 89.2 Ų | 89.2 | 34% | 0.344 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.4 | -32.1 | 175.5 | 27.5 | -34.6 | 0 | 0 | 0 | 112.9 | E98 L99 F105 L106 | E98-P102 WeakPolarHBondContact O-CD 3.29Å; L99-P102 HydrophobicContact CD1-CG 4.17Å; L99-P102 VanDerWaalsContact O-CD 3.26Å; L99-P102 WeakPolarHBondContact O-CD 3.43Å; L99-P102 WeakPolarHBondContact O-CG 3.36Å; P102-F105 PolarHBondContact O-N 3.41Å; P102-L106 WeakPolarHBondContact O-CB 3.4Å; P102-L106 PolarHBondContact O-N 3.38Å |
| 103 | L | 90.2 | Very high | 81.9 | Confident | 81 Ų | 81 | 87.8 Ų | 87.8 | 42% | 0.424 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 174 | -73.9 | 176.5 | 0 | 0 | 0 | 111.8 | L99 L100 L101 L106 L107 | L99-L103 HydrophobicContact CD1-CG 4.29Å; L99-L103 HydrophobicContact CD2-CD1 3.98Å; L99-L103 HydrophobicContact CG-CD1 3.66Å; L99-L103 HydrophobicContact CG-CG 3.9Å; L99-L103 VanDerWaalsContact O-CB 3.24Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 3.29Å; L101-L103 PolarHBondContact O-N 3.42Å; L103-L106 PolarHBondContact O-N 3.34Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.91Å |
| 104 | T | 91.6 | Very high | 84.1 | Confident | 40 Ų | 40 | 85 Ų | 85 | 25% | 0.245 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | L100 L101 L106 L107 L108 W210 | L100-T104 HydrophobicContact CD1-CG2 3.9Å; L100-T104 HydrophobicContact CG-CG2 4.13Å; L100-T104 VanDerWaalsContact O-CB 3.3Å; L100-T104 WeakPolarHBondContact O-CB 3.46Å; L100-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 PolarHBondContact O-N 3.03Å; L100-T104 PolarHBondContact O-OG1 2.83Å; L101-T104 WeakPolarHBondContact CA-OG1 3.44Å; L101-T104 PolarHBondContact O-N 3.31Å; L101-T104 PolarHBondContact O-OG1 3.45Å; T104-L106 PolarHBondContact O-N 2.92Å; T104-L107 PolarHBondContact O-N 3.32Å; T104-L108 VanDerWaalsContact O-CG 3.27Å; T104-L108 WeakPolarHBondContact O-CG 3.36Å; T104-L108 PolarHBondContact O-N 3.2Å; T104-W210 WeakPolarHBondContact OG1-CH2 3.4Å; T104-W210 WeakPolarHBondContact OG1-CZ2 3.42Å |
| 105 | F | 91.6 | Very high | 85.9 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 30% | 0.303 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58 | -47.7 | 172.9 | -178.7 | -103.9 | 0 | 0 | 0 | 112.1 | W22 L101 P102 L107 L108 V109 V207 W210 | W22-F105 HydrophobicContact CZ3-CZ 4.47Å; L101-F105 PolarHBondContact O-N 2.87Å; P102-F105 PolarHBondContact O-N 3.41Å; F105-L107 VanDerWaalsContact C-N 3.32Å; F105-L107 PolarHBondContact O-N 2.99Å; F105-L108 PolarHBondContact O-N 2.87Å; F105-V109 HydrophobicContact CD1-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.93Å; F105-V109 HydrophobicContact CE2-CG2 4.22Å; F105-V109 HydrophobicContact CZ-CG2 3.88Å; F105-V109 WeakPolarHBondContact O-CG2 3.47Å; F105-V109 PolarHBondContact O-N 3.48Å; F105-V207 HydrophobicContact CE2-CG1 4.38Å; F105-W210 HydrophobicContact CD2-CB 4.48Å; F105-W210 AromaticContact CD2-CD1 3.49Å; F105-W210 VanDerWaalsContact CD2-CD1 3.49Å; F105-W210 AromaticContact CD2-CG 3.99Å; F105-W210 HydrophobicContact CD2-CG 3.99Å; F105-W210 AromaticContact CD2-NE1 3.89Å |
| 106 | L | 93.3 | Very high | 87.7 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 178.1 | -176.6 | 64.7 | 0 | 0 | 0 | 112.2 | P102 L103 T104 V109 L110 | P102-L106 WeakPolarHBondContact O-CB 3.4Å; P102-L106 PolarHBondContact O-N 3.38Å; L103-L106 PolarHBondContact O-N 3.34Å; T104-L106 PolarHBondContact O-N 2.92Å; L106-V109 PolarHBondContact O-N 3.44Å; L106-L110 WeakPolarHBondContact O-CB 3.29Å; L106-L110 PolarHBondContact O-N 2.96Å |
| 107 | L | 94.7 | Very high | 89.4 | Confident | 115 Ų | 115 | 72.5 Ų | 72.5 | 60% | 0.602 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 176 | -70.9 | 171.7 | 0 | 0 | 0 | 112.1 | L103 T104 F105 L110 G111 | L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.91Å; T104-L107 PolarHBondContact O-N 3.32Å; F105-L107 VanDerWaalsContact C-N 3.32Å; F105-L107 PolarHBondContact O-N 2.99Å; L107-L110 PolarHBondContact O-N 3.05Å; L107-G111 PolarHBondContact O-N 3.45Å |
| 108 | L | 94.9 | Very high | 91.2 | Very high | 42 Ų | 42 | 72.3 Ų | 72.3 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.7 | -69.9 | 170.9 | 0 | 0 | 0 | 111.4 | T104 F105 G111 S112 L203 V206 V207 W210 | T104-L108 VanDerWaalsContact O-CG 3.27Å; T104-L108 WeakPolarHBondContact O-CG 3.36Å; T104-L108 PolarHBondContact O-N 3.2Å; F105-L108 PolarHBondContact O-N 2.87Å; L108-G111 PolarHBondContact O-N 2.9Å; L108-S112 WeakPolarHBondContact O-CB 3.39Å; L108-S112 PolarHBondContact O-N 3.46Å; L108-L203 HydrophobicContact CD2-CD1 3.66Å; L108-V206 HydrophobicContact CD1-CG1 4.42Å; L108-V207 HydrophobicContact CB-CG2 3.83Å; L108-W210 HydrophobicContact CD1-CE3 4.09Å; L108-W210 HydrophobicContact CD1-CZ3 4.32Å |
| 109 | V | 93.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | W22 F105 L106 G111 S112 L113 V207 | W22-V109 HydrophobicContact CE3-CG1 3.95Å; W22-V109 HydrophobicContact CE3-CG2 4.42Å; W22-V109 HydrophobicContact CH2-CG1 4.37Å; W22-V109 HydrophobicContact CH2-CG2 4.01Å; W22-V109 HydrophobicContact CZ3-CB 4.36Å; W22-V109 HydrophobicContact CZ3-CG1 3.81Å; W22-V109 HydrophobicContact CZ3-CG2 3.55Å; F105-V109 HydrophobicContact CD1-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.93Å; F105-V109 HydrophobicContact CE2-CG2 4.22Å; F105-V109 HydrophobicContact CZ-CG2 3.88Å; F105-V109 WeakPolarHBondContact O-CG2 3.47Å; F105-V109 PolarHBondContact O-N 3.48Å; L106-V109 PolarHBondContact O-N 3.44Å; V109-G111 VanDerWaalsContact C-N 3.34Å; V109-G111 PolarHBondContact O-N 3.37Å; V109-S112 WeakPolarHBondContact O-CB 3.48Å; V109-S112 PolarHBondContact O-N 2.93Å; V109-L113 HydrophobicContact CG1-CD1 4.39Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 2.91Å; V109-V207 HydrophobicContact CG2-CG1 4.35Å |
| 110 | L | 95.4 | Very high | 93.2 | Very high | 91 Ų | 91 | 61.2 Ų | 61.2 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.3 | -179.8 | 62.3 | 0 | 0 | 0 | 111.3 | L106 L107 S112 L113 L114 | L106-L110 WeakPolarHBondContact O-CB 3.29Å; L106-L110 PolarHBondContact O-N 2.96Å; L107-L110 PolarHBondContact O-N 3.05Å; L110-S112 VanDerWaalsContact C-N 3.33Å; L110-S112 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 3.37Å; L110-L114 HydrophobicContact CG-CD1 4.29Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.38Å; L110-L114 PolarHBondContact O-N 3.26Å |
| 111 | G | 96.8 | Very high | 93.6 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L107 L108 V109 L114 L115 | L107-G111 PolarHBondContact O-N 3.45Å; L108-G111 PolarHBondContact O-N 2.9Å; V109-G111 VanDerWaalsContact C-N 3.34Å; V109-G111 PolarHBondContact O-N 3.37Å; G111-L114 PolarHBondContact O-N 2.93Å; G111-L115 WeakPolarHBondContact O-CB 3.4Å; G111-L115 PolarHBondContact O-N 3.39Å |
| 112 | S | 95.4 | Very high | 94 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | L108 V109 L110 L114 L115 Y116 Q204 | L108-S112 WeakPolarHBondContact O-CB 3.39Å; L108-S112 PolarHBondContact O-N 3.46Å; V109-S112 WeakPolarHBondContact O-CB 3.48Å; V109-S112 PolarHBondContact O-N 2.93Å; L110-S112 VanDerWaalsContact C-N 3.33Å; L110-S112 PolarHBondContact O-N 2.9Å; S112-L114 PolarHBondContact O-N 2.8Å; S112-L115 PolarHBondContact O-N 2.83Å; S112-Y116 WeakPolarHBondContact O-CB 3.34Å; S112-Y116 PolarHBondContact O-N 3.18Å; S112-Q204 PolarHBondContact OG-OE1 3.38Å; S112-Q204 VanDerWaalsContact OG-OE1 3.05Å |
| 113 | L | 95.2 | Very high | 94.3 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 41% | 0.408 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.7 | -69.6 | 173 | 0 | 0 | 0 | 112.1 | V109 L110 Y116 L117 | V109-L113 HydrophobicContact CG1-CD1 4.39Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 2.91Å; L110-L113 PolarHBondContact O-N 3.37Å; L113-Y116 PolarHBondContact O-N 3.04Å; L113-L117 WeakPolarHBondContact O-CG 3.5Å; L113-L117 PolarHBondContact O-N 3.41Å |
| 114 | L | 95.9 | Very high | 94.5 | Very high | 105 Ų | 105 | 55.9 Ų | 55.9 | 55% | 0.55 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 177.6 | -68.2 | 174.6 | 0 | 0 | 0 | 111.9 | L110 G111 S112 L117 A118 | L110-L114 HydrophobicContact CG-CD1 4.29Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.38Å; L110-L114 PolarHBondContact O-N 3.26Å; G111-L114 PolarHBondContact O-N 2.93Å; S112-L114 PolarHBondContact O-N 2.8Å; L114-L117 PolarHBondContact O-N 2.87Å; L114-A118 VanDerWaalsContact O-CB 3.31Å; L114-A118 WeakPolarHBondContact O-CB 3.18Å; L114-A118 PolarHBondContact O-N 2.81Å |
| 115 | L | 95.7 | Very high | 94.7 | Very high | 34 Ų | 34 | 54 Ų | 54 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.7 | -90.1 | 153.5 | 0 | 0 | 0 | 111.9 | G111 S112 L117 A118 V119 V199 Y200 L203 | G111-L115 WeakPolarHBondContact O-CB 3.4Å; G111-L115 PolarHBondContact O-N 3.39Å; S112-L115 PolarHBondContact O-N 2.83Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 3Å; L115-A118 PolarHBondContact O-N 3.22Å; L115-V119 WeakPolarHBondContact O-CG2 3.32Å; L115-V119 PolarHBondContact O-N 2.92Å; L115-V199 HydrophobicContact CD1-CG1 4.23Å; L115-V199 HydrophobicContact CD2-CG1 4.16Å; L115-Y200 HydrophobicContact CB-CD2 4.12Å; L115-L203 HydrophobicContact CD1-CD2 3.44Å; L115-L203 VanDerWaalsContact CD1-CD2 3.44Å |
| 116 | Y | 95.3 | Very high | 94.8 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -49.4 | 174.7 | 169.8 | -93.1 | 0 | 0 | 0 | 110.8 | S112 L113 V119 S120 W184 M185 | S112-Y116 WeakPolarHBondContact O-CB 3.34Å; S112-Y116 PolarHBondContact O-N 3.18Å; L113-Y116 PolarHBondContact O-N 3.04Å; Y116-V119 PolarHBondContact O-N 3.3Å; Y116-S120 WeakPolarHBondContact O-CB 3.14Å; Y116-S120 PolarHBondContact O-N 2.88Å; Y116-S120 PolarHBondContact O-OG 3.21Å; Y116-W184 PolarHBondContact OH-O 2.87Å; Y116-M185 HydrophobicContact CD2-CE 3.75Å; Y116-M185 HydrophobicContact CD2-SD 3.43Å; Y116-M185 WeakPolarHBondContact CD2-SD 3.31Å; Y116-M185 HydrophobicContact CE2-CE 4.2Å; Y116-M185 HydrophobicContact CE2-SD 3.47Å; Y116-M185 WeakPolarHBondContact CE2-SD 3.31Å; Y116-M185 HydrophobicContact CG-CE 4.38Å; Y116-M185 WeakPolarHBondContact O-CE 3.24Å |
| 117 | L | 94.8 | Very high | 94.7 | Very high | 86 Ų | 86 | 48.8 Ų | 48.8 | 45% | 0.45 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.6 | -70.1 | 173.4 | 0 | 0 | 0 | 111.4 | L113 L114 L115 S120 L121 | L113-L117 WeakPolarHBondContact O-CG 3.5Å; L113-L117 PolarHBondContact O-N 3.41Å; L114-L117 PolarHBondContact O-N 2.87Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 3Å; L117-S120 PolarHBondContact O-N 2.71Å; L117-L121 WeakPolarHBondContact O-CB 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.31Å; L117-L121 PolarHBondContact O-N 2.89Å |
| 118 | A | 94.1 | Very high | 94.2 | Very high | 48 Ų | 48 | 49 Ų | 49 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.1 | -52 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L114 L115 L121 M122 | L114-A118 VanDerWaalsContact O-CB 3.31Å; L114-A118 WeakPolarHBondContact O-CB 3.18Å; L114-A118 PolarHBondContact O-N 2.81Å; L115-A118 PolarHBondContact O-N 3.22Å; A118-L121 PolarHBondContact O-N 3.03Å; A118-M122 WeakPolarHBondContact O-CB 3.48Å; A118-M122 PolarHBondContact O-N 2.92Å |
| 119 | V | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69 | -37.6 | -177.7 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | L115 Y116 L121 M185 N187 L196 F197 | L115-V119 WeakPolarHBondContact O-CG2 3.32Å; L115-V119 PolarHBondContact O-N 2.92Å; Y116-V119 PolarHBondContact O-N 3.3Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 3.49Å; V119-M185 HydrophobicContact CB-CE 3.51Å; V119-M185 HydrophobicContact CG1-CE 3.54Å; V119-N187 PolarHBondContact O-ND2 3.35Å; V119-L196 HydrophobicContact CG2-CB 3.63Å; V119-F197 HydrophobicContact CG1-CB 4.08Å; V119-F197 HydrophobicContact CG1-CD2 4.12Å |
| 120 | S | 94.5 | Very high | 91.2 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | Y116 L117 M185 N187 | Y116-S120 WeakPolarHBondContact O-CB 3.14Å; Y116-S120 PolarHBondContact O-N 2.88Å; Y116-S120 PolarHBondContact O-OG 3.21Å; L117-S120 PolarHBondContact O-N 2.71Å; S120-M185 WeakPolarHBondContact OG-CE 3.32Å; S120-N187 PolarHBondContact O-ND2 2.61Å |
| 121 | L | 92.6 | Very high | 89.1 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 64% | 0.644 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -94.9 | -12.4 | -177.2 | -60 | 176.9 | 0 | 0 | 0 | 113.9 | L6 L117 A118 V119 | L6-L121 HydrophobicContact CD2-CD2 4.34Å; L117-L121 WeakPolarHBondContact O-CB 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.31Å; L117-L121 PolarHBondContact O-N 2.89Å; A118-L121 PolarHBondContact O-N 3.03Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 3.49Å |
| 122 | M | 93.6 | Very high | 86.7 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 30% | 0.296 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -72.8 | 142 | -178.1 | -173 | 174.4 | -171.4 | 0 | 0 | 112.1 | A118 P124 N187 R192 N193 L196 | A118-M122 WeakPolarHBondContact O-CB 3.48Å; A118-M122 PolarHBondContact O-N 2.92Å; M122-P124 VanDerWaalsContact O-CD 3.31Å; M122-P124 WeakPolarHBondContact O-CD 3.35Å; M122-N187 PolarHBondContact O-ND2 2.81Å; M122-R192 HydrophobicContact CE-CB 4.24Å; M122-R192 WeakPolarHBondContact CE-O 3.19Å; M122-N193 HydrophobicContact CB-CB 4.25Å; M122-N193 HydrophobicContact CG-CB 4.09Å; M122-N193 HydrophobicContact SD-CB 3.72Å; M122-L196 HydrophobicContact CE-CD1 4.42Å; M122-L196 HydrophobicContact SD-CD1 3.67Å |
| 123 | D | 95.2 | Very high | 84.3 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | trans | -64.8 | 118.9 | 168.7 | 168.8 | 37.9 | 0 | 0 | 0 | 109.7 | G125 Y126 R192 | D123-G125 PolarHBondContact O-N 3.28Å; D123-G125 VanDerWaalsContact O-N 3.16Å; D123-G125 PolarHBondContact OD1-N 3.47Å; D123-Y126 WeakPolarHBondContact OD1-CD2 3.37Å; D123-Y126 PolarHBondContact OD1-N 2.99Å; D123-R192 VanDerWaalsContact O-CB 3.27Å; D123-R192 WeakPolarHBondContact O-CB 3.42Å; D123-R192 IonicContact OD2-CZ 3.96Å; D123-R192 IonicContact OD2-NH1 3.97Å; D123-R192 PolarHBondContact OD2-NH1 2.75Å | ||
| 124 | P | 95.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | -68.9 | -9.8 | 178.1 | 29.1 | -35.8 | 0 | 0 | 0 | 113.4 | M122 Y126 V175 C188 G190 E191 R192 | M122-P124 VanDerWaalsContact O-CD 3.31Å; M122-P124 WeakPolarHBondContact O-CD 3.35Å; P124-Y126 HydrophobicContact CG-CD1 4.39Å; P124-Y126 HydrophobicContact CG-CD2 4.25Å; P124-Y126 HydrophobicContact CG-CE1 3.96Å; P124-Y126 HydrophobicContact CG-CE2 3.79Å; P124-V175 HydrophobicContact CB-CG1 3.97Å; P124-V175 HydrophobicContact CG-CG1 4.22Å; P124-C188 HydrophobicContact CB-CB 4.06Å; P124-C188 VanDerWaalsContact CB-O 3.31Å; P124-C188 WeakPolarHBondContact CB-O 3.5Å; P124-C188 HydrophobicContact CG-CB 3.92Å; P124-G190 CarbonylContact O-C 3.3Å; P124-G190 VanDerWaalsContact O-C 3.3Å; P124-E191 PolarHBondContact O-N 2.84Å; P124-R192 PolarHBondContact O-N 3.43Å; P124-R192 VanDerWaalsContact O-N 3.11Å | ||
| 125 | G | 94.8 | Very high | 79.6 | Confident | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | trans | 103.8 | 57.1 | -174 | 0 | 0 | 0 | 0 | 0 | 110.7 | D123 V127 R176 | D123-G125 PolarHBondContact O-N 3.28Å; D123-G125 VanDerWaalsContact O-N 3.16Å; D123-G125 PolarHBondContact OD1-N 3.47Å; G125-V127 PolarHBondContact O-N 2.83Å; G125-R176 WeakPolarHBondContact O-CB 3.43Å; G125-R176 WeakPolarHBondContact O-CG 3.27Å; G125-R176 PolarHBondContact O-N 2.8Å | ||
| 126 | Y | 94.1 | Very high | 77.1 | Confident | 38 Ų | 38 | 85.9 Ų | 85.9 | 15% | 0.149 | 45% | 0.448 | C | S | . | . | B | Isolated β-bridge | trans | -60.1 | 137.3 | 173.2 | -68.1 | -61.2 | 0 | 0 | 0 | 111.1 | D123 P124 N128 C171 R173 C174 V175 N187 | D123-Y126 WeakPolarHBondContact OD1-CD2 3.37Å; D123-Y126 PolarHBondContact OD1-N 2.99Å; P124-Y126 HydrophobicContact CG-CD1 4.39Å; P124-Y126 HydrophobicContact CG-CD2 4.25Å; P124-Y126 HydrophobicContact CG-CE1 3.96Å; P124-Y126 HydrophobicContact CG-CE2 3.79Å; Y126-N128 PolarHBondContact O-N 3.38Å; Y126-C171 HydrophobicContact CE1-CB 4.23Å; Y126-R173 HydrophobicContact CD1-CB 3.43Å; Y126-R173 VanDerWaalsContact CD1-CB 3.43Å; Y126-R173 HydrophobicContact CD1-CG 4.23Å; Y126-R173 HydrophobicContact CE1-CB 3.68Å; Y126-R173 HydrophobicContact CE1-CG 4.41Å; Y126-R173 HydrophobicContact CG-CB 4.32Å; Y126-C174 CarbonylContact C-O 3.6Å; Y126-C174 WeakPolarHBondContact CA-O 3.21Å; Y126-V175 HydrophobicContact CD1-CG2 3.7Å; Y126-V175 HydrophobicContact CE1-CG2 3.6Å; Y126-N187 PolarHBondContact OH-OD1 2.79Å |
| 127 | V | 91.8 | Very high | 74.9 | Confident | 23 Ų | 23 | 91.8 Ų | 91.8 | 14% | 0.139 | 48% | 0.482 | C | S | . | . | trans | -75.6 | 110.4 | 175.1 | -179 | 0 | 0 | 0 | 0 | 107.8 | G125 V159 P162 A165 C174 R176 | G125-V127 PolarHBondContact O-N 2.83Å; V127-V159 HydrophobicContact CG1-CG2 4.32Å; V127-P162 HydrophobicContact CG2-CG 3.95Å; V127-A165 HydrophobicContact CG2-CB 4.22Å; V127-C174 HydrophobicContact CB-CB 3.91Å; V127-C174 HydrophobicContact CG2-CB 3.94Å; V127-C174 PolarHBondContact N-O 3.34Å; V127-R176 HydrophobicContact CG2-CG 3.68Å | ||
| 128 | N | 83.2 | Confident | 72.5 | Confident | 119 Ų | 119 | 95.4 Ų | 95.4 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | trans | -69.1 | 138.6 | 173.6 | -68.6 | -45 | 0 | 0 | 0 | 110.4 | Y126 Q130 | Y126-N128 PolarHBondContact O-N 3.38Å; N128-Q130 PolarHBondContact O-N 3.47Å | ||
| 129 | V | 68.9 | Low | 70.5 | Confident | 107 Ų | 107 | 100.3 Ų | 100.3 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | trans | -71.6 | 82.8 | 167.5 | -171 | 0 | 0 | 0 | 0 | 106.4 | P131 V159 | V129-P131 WeakPolarHBondContact O-CD 3.37Å; V129-V159 HydrophobicContact CB-CG1 4.07Å; V129-V159 HydrophobicContact CG1-CG1 4.1Å; V129-V159 HydrophobicContact CG2-CG1 3.59Å | ||
| 130 | Q | 58.1 | Low | 68.3 | Low | 158 Ų | 158 | 109 Ų | 109 | 74% | 0.738 | 55% | 0.549 | S | S | * | . | trans | -69.8 | 123.9 | 161.1 | -83.8 | 173.6 | -11.2 | 0 | 0 | 106.2 | N128 Q132 | N128-Q130 PolarHBondContact O-N 3.47Å; Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 2.96Å | ||
| 131 | P | 50.1 | Low | 65.9 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 74% | 0.74 | 58% | 0.578 | S | S | * | * | trans | -59.2 | 107.7 | 159 | 14 | -7.7 | 0 | 0 | 0 | 104.3 | V129 P133 | V129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-P133 WeakPolarHBondContact O-CD 3.33Å; P131-P133 VanDerWaalsContact O-N 3.16Å | ||
| 132 | Q | 47.4 | Very low | 63.9 | Low | 157 Ų | 157 | 117 Ų | 117 | 73% | 0.734 | 59% | 0.592 | S | S | * | * | trans | -62.7 | 118.5 | 168.8 | -73.5 | -153.7 | -53.3 | 0 | 0 | 105.6 | Q130 Q134 | Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 2.96Å; Q132-Q134 PolarHBondContact O-N 3.27Å | ||
| 133 | P | 43.9 | Very low | 61.8 | Low | 101 Ų | 101 | 117.6 Ų | 117.6 | 66% | 0.656 | 61% | 0.606 | S | S | * | * | trans | -53.1 | 134 | 149.3 | -11 | 28.1 | 0 | 0 | 0 | 104.7 | P131 E135 | P131-P133 WeakPolarHBondContact O-CD 3.33Å; P131-P133 VanDerWaalsContact O-N 3.16Å; P133-E135 PolarHBondContact O-N 2.99Å | ||
| 134 | Q | 44.2 | Very low | 59.5 | Low | 197 Ų | 197 | 124.4 Ų | 124.4 | 92% | 0.921 | 64% | 0.639 | S | S | * | * | trans | -61.8 | 77.6 | 166.8 | -70.6 | 179.8 | -71.8 | 0 | 0 | 107.9 | Q132 E136 | Q132-Q134 PolarHBondContact O-N 3.27Å; Q134-E136 PolarHBondContact O-N 3.03Å | ||
| 135 | E | 49.1 | Very low | 57.8 | Low | 169 Ų | 169 | 129.9 Ų | 129.9 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | -75.6 | 88 | 161.7 | -77.9 | -166.5 | 168.7 | 0 | 0 | 106.2 | P133 L137 | P133-E135 PolarHBondContact O-N 2.99Å; E135-L137 PolarHBondContact O-N 3.27Å | ||
| 136 | E | 44.1 | Very low | 56.2 | Low | 174 Ų | 174 | 134.7 Ų | 134.7 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | 46.3 | 66.2 | 122.4 | -62.5 | -174.1 | 149 | 0 | 0 | 114.3 | Q134 K138 | Q134-E136 PolarHBondContact O-N 3.03Å; E136-K138 PolarHBondContact O-N 3.49Å; E136-K138 VanDerWaalsContact O-N 3.09Å | |||
| 137 | L | 48.3 | Very low | 54.6 | Low | 176 Ų | 176 | 138.6 Ų | 138.6 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | -78.6 | 80 | 150.3 | -153.2 | 91.5 | 0 | 0 | 0 | 108.3 | E135 | E135-L137 PolarHBondContact O-N 3.27Š| ||
| 138 | K | 44.7 | Very low | 53.3 | Low | 161 Ų | 161 | 142 Ų | 142 | 70% | 0.7 | 76% | 0.763 | S | S | * | * | trans | -159.5 | 121.2 | 141.3 | -121.2 | -172.2 | 173.9 | -128.6 | 0 | 112.8 | E136 | E136-K138 PolarHBondContact O-N 3.49Å; E136-K138 VanDerWaalsContact O-N 3.09Å | ||
| 139 | E | 50.7 | Low | 52.6 | Low | 152 Ų | 152 | 141.5 Ų | 141.5 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 76.2 | 71.6 | 146.4 | -74.2 | 162.8 | -173.7 | 0 | 0 | 117.6 | ||
| 140 | E | 49.3 | Very low | 52.5 | Low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | -159.7 | 160.2 | 123.4 | -134 | -176.5 | 92.1 | 0 | 0 | 110.1 | |||||
| 141 | Q | 45.4 | Very low | 53.4 | Low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 85.9 | 65.2 | 175 | -51.5 | -177.5 | 4.8 | 0 | 0 | 116.3 | A143 | Q141-A143 VanDerWaalsContact C-N 3.3Å; Q141-A143 PolarHBondContact O-N 2.73Å | ||
| 142 | T | 49 | Very low | 55 | Low | 153 Ų | 153 | 140.4 Ų | 140.4 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | trans | -41.3 | 90.3 | 134.7 | -46.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 143 | A | 49.6 | Very low | 57 | Low | 73 Ų | 73 | 141.5 Ų | 141.5 | 60% | 0.603 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -158.4 | 98.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q141 V145 | Q141-A143 VanDerWaalsContact C-N 3.3Å; Q141-A143 PolarHBondContact O-N 2.73Å; A143-V145 WeakPolarHBondContact O-CG2 3.47Å; A143-V145 PolarHBondContact O-N 3.47Å |
| 144 | M | 48.3 | Very low | 59.3 | Low | 198 Ų | 198 | 136.9 Ų | 136.9 | 98% | 0.975 | 71% | 0.711 | S | S | * | * | trans | 39.6 | 54 | 157.1 | -151.3 | 173.4 | -166.5 | 0 | 0 | 115.8 | ||||
| 145 | V | 58.1 | Low | 61.5 | Low | 115 Ų | 115 | 138.4 Ų | 138.4 | 70% | 0.697 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 122.7 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | A143 | A143-V145 WeakPolarHBondContact O-CG2 3.47Å; A143-V145 PolarHBondContact O-N 3.47Å |
| 146 | P | 62.9 | Low | 63.5 | Low | 103 Ų | 103 | 137.9 Ų | 137.9 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 148.6 | 169.7 | -19.6 | 29.9 | 0 | 0 | 0 | 109.4 | A148 | P146-A148 PolarHBondContact O-N 2.91Š|
| 147 | P | 60.2 | Low | 65.7 | Low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 119.5 | -177.9 | 20.5 | -32.1 | 0 | 0 | 0 | 109.7 | I149 | P147-I149 PolarHBondContact O-N 2.81Š|
| 148 | A | 64.8 | Low | 67.6 | Low | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | -53.5 | 109.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | P146 P150 | P146-A148 PolarHBondContact O-N 2.91Å; A148-P150 WeakPolarHBondContact O-CD 3.43Å; A148-P150 VanDerWaalsContact O-N 3.15Å | ||
| 149 | I | 68.3 | Low | 69.6 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 56% | 0.559 | 63% | 0.627 | S | S | * | * | trans | -62.1 | 121.8 | -177.9 | -59.1 | 173.6 | 0 | 0 | 0 | 106.5 | P147 L151 L163 | P147-I149 PolarHBondContact O-N 2.81Å; I149-L151 PolarHBondContact O-N 3.48Å; I149-L163 HydrophobicContact CB-CD2 4.11Å; I149-L163 HydrophobicContact CD1-CD1 4.27Å; I149-L163 HydrophobicContact CD1-CD2 3.9Å; I149-L163 HydrophobicContact CG2-CD2 3.67Å | ||
| 150 | P | 66.1 | Low | 71.4 | Confident | 116 Ų | 116 | 117.4 Ų | 117.4 | 75% | 0.753 | 61% | 0.611 | S | S | * | * | trans | -61.8 | 109.5 | -177.2 | 23 | -32.2 | 0 | 0 | 0 | 109.1 | A148 R152 | A148-P150 WeakPolarHBondContact O-CD 3.43Å; A148-P150 VanDerWaalsContact O-N 3.15Å; P150-R152 PolarHBondContact O-N 3.28Å | ||
| 151 | L | 76.4 | Confident | 73.3 | Confident | 83 Ų | 83 | 109.8 Ų | 109.8 | 44% | 0.435 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 127 | 176.2 | -66.4 | 172.1 | 0 | 0 | 0 | 108.5 | I149 L160 L163 | I149-L151 PolarHBondContact O-N 3.48Å; L151-L160 HydrophobicContact CB-CD1 3.61Å; L151-L160 HydrophobicContact CB-CD2 3.84Å; L151-L160 HydrophobicContact CB-CG 3.59Å; L151-L160 HydrophobicContact CD1-CD2 3.53Å; L151-L160 HydrophobicContact CD1-CG 4.05Å; L151-L160 HydrophobicContact CG-CD2 4.34Å; L151-L160 HydrophobicContact CG-CG 4.45Å; L151-L160 WeakPolarHBondContact O-CD1 3.27Å; L151-L163 HydrophobicContact CD2-CG 4.34Å |
| 152 | R | 85.2 | Confident | 75.4 | Confident | 158 Ų | 158 | 104.4 Ų | 104.4 | 60% | 0.596 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 137.4 | -179.2 | -68.8 | -168.1 | -66 | -113.1 | -2.3 | 110.1 | P150 Q161 | P150-R152 PolarHBondContact O-N 3.28Å; R152-Q161 WeakPolarHBondContact O-CA 3.37Å; R152-Q161 WeakPolarHBondContact O-CB 3.39Å; R152-Q161 WeakPolarHBondContact O-CG 3.19Å; R152-Q161 PolarHBondContact O-N 2.91Å |
| 153 | R | 88.8 | Confident | 77.3 | Confident | 179 Ų | 179 | 102.2 Ų | 102.2 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | B | Isolated β-bridge | trans | -89.9 | 129.1 | 171.9 | -164.3 | 171.3 | -172.4 | 157.8 | 0.7 | 110.6 | R155 L158 | R153-R155 PolarHBondContact O-N 3.23Å; R153-L158 PolarHBondContact NE-O 3Å; R153-L158 PolarHBondContact NH2-O 2.98Å; R153-L158 VanDerWaalsContact NH2-O 3.11Å |
| 154 | C | 91.6 | Very high | 79.3 | Confident | 5 Ų | 5 | 107 Ų | 107 | 3% | 0.034 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 126.3 | 173.4 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | Y156 C157 L158 V159 Q161 | C154-Y156 VanDerWaalsContact C-N 3.32Å; C154-Y156 PolarHBondContact O-N 2.88Å; C154-Y156 PolarHBondContact SG-N 3.27Å; C154-C157 HydrophobicContact CB-CB 4.27Å; C154-C157 PolarHBondContact SG-N 2.85Å; C154-C157 VanDerWaalsContact SG-N 3.38Å; C154-L158 WeakPolarHBondContact O-CA 3.32Å; C154-L158 PolarHBondContact O-N 2.96Å; C154-V159 HydrophobicContact CB-CG2 4.18Å; C154-V159 PolarHBondContact N-O 3.39Å; C154-Q161 HydrophobicContact CB-CG 3.89Å |
| 155 | R | 91.4 | Very high | 81.4 | Confident | 229 Ų | 229 | 97.6 Ų | 97.6 | 86% | 0.864 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -26.2 | 177.8 | -63 | -177.2 | -178.7 | -176.5 | -0.3 | 113.7 | R153 L158 | R153-R155 PolarHBondContact O-N 3.23Å; R155-L158 WeakPolarHBondContact O-CD2 3.38Å |
| 156 | Y | 90.8 | Very high | 83.2 | Confident | 157 Ų | 157 | 99.3 Ų | 99.3 | 62% | 0.616 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -49 | -176.8 | -56.7 | -79.2 | 0 | 0 | 0 | 112.4 | C154 H167 | C154-Y156 VanDerWaalsContact C-N 3.32Å; C154-Y156 PolarHBondContact O-N 2.88Å; C154-Y156 PolarHBondContact SG-N 3.27Å; Y156-H167 AromaticContact CD2-CD2 3.8Å; Y156-H167 AromaticContact CD2-NE2 3.97Å; Y156-H167 AromaticContact CG-NE2 3.94Å |
| 157 | C | 89.3 | Confident | 84.7 | Confident | 34 Ų | 34 | 96.2 Ų | 96.2 | 23% | 0.23 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -10.4 | -179.7 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | C154 V159 H167 | C154-C157 HydrophobicContact CB-CB 4.27Å; C154-C157 PolarHBondContact SG-N 2.85Å; C154-C157 VanDerWaalsContact SG-N 3.38Å; C157-V159 HydrophobicContact CB-CG1 4.37Å; C157-V159 HydrophobicContact CB-CG2 3.89Å; C157-V159 PolarHBondContact O-N 2.9Å; C157-H167 VanDerWaalsContact SG-CE1 3.51Å; C157-H167 PolarHBondContact SG-ND1 2.82Å |
| 158 | L | 89.4 | Confident | 86.5 | Confident | 112 Ų | 112 | 90.6 Ų | 90.6 | 59% | 0.586 | 43% | 0.427 | S | S | * | . | trans | 57.8 | 12.6 | -176.3 | -56.6 | 177.9 | 0 | 0 | 0 | 115.6 | R153 C154 R155 | R153-L158 PolarHBondContact NE-O 3Å; R153-L158 PolarHBondContact NH2-O 2.98Å; R153-L158 VanDerWaalsContact NH2-O 3.11Å; C154-L158 WeakPolarHBondContact O-CA 3.32Å; C154-L158 PolarHBondContact O-N 2.96Å; R155-L158 WeakPolarHBondContact O-CD2 3.38Å | ||
| 159 | V | 86.8 | Confident | 88 | Confident | 13 Ų | 13 | 94.7 Ų | 94.7 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 150.7 | 176 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | V127 V129 C154 C157 Q161 C174 | V127-V159 HydrophobicContact CG1-CG2 4.32Å; V129-V159 HydrophobicContact CB-CG1 4.07Å; V129-V159 HydrophobicContact CG1-CG1 4.1Å; V129-V159 HydrophobicContact CG2-CG1 3.59Å; C154-V159 HydrophobicContact CB-CG2 4.18Å; C154-V159 PolarHBondContact N-O 3.39Å; C157-V159 HydrophobicContact CB-CG1 4.37Å; C157-V159 HydrophobicContact CB-CG2 3.89Å; C157-V159 PolarHBondContact O-N 2.9Å; V159-Q161 PolarHBondContact O-N 3.42Å; V159-C174 HydrophobicContact CG2-CB 4.26Å |
| 160 | L | 88.8 | Confident | 89.2 | Confident | 74 Ų | 74 | 95 Ų | 95 | 39% | 0.387 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 118.8 | 165.6 | -163.4 | 63.9 | 0 | 0 | 0 | 108.8 | L151 P162 | L151-L160 HydrophobicContact CB-CD1 3.61Å; L151-L160 HydrophobicContact CB-CD2 3.84Å; L151-L160 HydrophobicContact CB-CG 3.59Å; L151-L160 HydrophobicContact CD1-CD2 3.53Å; L151-L160 HydrophobicContact CD1-CG 4.05Å; L151-L160 HydrophobicContact CG-CD2 4.34Å; L151-L160 HydrophobicContact CG-CG 4.45Å; L151-L160 WeakPolarHBondContact O-CD1 3.27Å; L160-P162 WeakPolarHBondContact O-CD 3.16Å |
| 161 | Q | 89.1 | Confident | 90.5 | Very high | 22 Ų | 22 | 90.9 Ų | 90.9 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 120.6 | -177 | -62.7 | -177.2 | -56.2 | 0 | 0 | 109 | R152 C154 V159 A165 | R152-Q161 WeakPolarHBondContact O-CA 3.37Å; R152-Q161 WeakPolarHBondContact O-CB 3.39Å; R152-Q161 WeakPolarHBondContact O-CG 3.19Å; R152-Q161 PolarHBondContact O-N 2.91Å; C154-Q161 HydrophobicContact CB-CG 3.89Å; V159-Q161 PolarHBondContact O-N 3.42Å; Q161-A165 HydrophobicContact CB-CB 4.22Å |
| 162 | P | 88.3 | Confident | 91.3 | Very high | 47 Ų | 47 | 96.6 Ų | 96.6 | 31% | 0.305 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 164.3 | 170.8 | 24.3 | -29.6 | 0 | 0 | 0 | 110.3 | V127 L160 R164 A165 R176 | V127-P162 HydrophobicContact CG2-CG 3.95Å; L160-P162 WeakPolarHBondContact O-CD 3.16Å; P162-R164 PolarHBondContact O-N 3.17Å; P162-A165 HydrophobicContact CG-CB 3.78Å; P162-A165 VanDerWaalsContact O-CB 3.27Å; P162-A165 WeakPolarHBondContact O-CB 3.4Å; P162-A165 PolarHBondContact O-N 3.29Å; P162-R176 HydrophobicContact CG-CG 4.2Å |
| 163 | L | 88.5 | Confident | 91.7 | Very high | 106 Ų | 106 | 95.9 Ų | 95.9 | 56% | 0.555 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 132.2 | -179.4 | -71.8 | 165.6 | 0 | 0 | 0 | 111.1 | I149 L151 A165 | I149-L163 HydrophobicContact CB-CD2 4.11Å; I149-L163 HydrophobicContact CD1-CD1 4.27Å; I149-L163 HydrophobicContact CD1-CD2 3.9Å; I149-L163 HydrophobicContact CG2-CD2 3.67Å; L151-L163 HydrophobicContact CD2-CG 4.34Å; L163-A165 PolarHBondContact O-N 3.14Å; L163-A165 VanDerWaalsContact O-N 3.17Å |
| 164 | R | 91.6 | Very high | 92.1 | Very high | 173 Ų | 173 | 87.4 Ų | 87.4 | 65% | 0.653 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 7.2 | -177.2 | -54.7 | 175.1 | 58.5 | -172.8 | -2.2 | 116.1 | P162 Y178 | P162-R164 PolarHBondContact O-N 3.17Å; R164-Y178 PolarHBondContact O-N 2.94Å |
| 165 | A | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 87.2 Ų | 87.2 | 1% | 0.008 | 38% | 0.375 | C | S | . | . | trans | -76.1 | 146.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | V127 Q161 P162 L163 V175 | V127-A165 HydrophobicContact CG2-CB 4.22Å; Q161-A165 HydrophobicContact CB-CB 4.22Å; P162-A165 HydrophobicContact CG-CB 3.78Å; P162-A165 VanDerWaalsContact O-CB 3.27Å; P162-A165 WeakPolarHBondContact O-CB 3.4Å; P162-A165 PolarHBondContact O-N 3.29Å; L163-A165 PolarHBondContact O-N 3.14Å; L163-A165 VanDerWaalsContact O-N 3.17Å; A165-V175 WeakPolarHBondContact CA-O 3.49Å; A165-V175 WeakPolarHBondContact CB-O 3.39Å | ||
| 166 | R | 94.7 | Very high | 92.5 | Very high | 151 Ų | 151 | 80.9 Ų | 80.9 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.9 | 175.4 | -58.8 | -171.6 | -179.6 | -177.4 | -0.5 | 110.6 | C174 V175 Y178 | R166-C174 WeakPolarHBondContact O-CA 3.12Å; R166-V175 PolarHBondContact N-O 2.99Å; R166-V175 PolarHBondContact O-N 2.89Å; R166-Y178 HydrophobicContact CB-CD1 3.78Å; R166-Y178 HydrophobicContact CB-CG 3.93Å; R166-Y178 HydrophobicContact CG-CD1 4.23Å |
| 167 | H | 96.2 | Very high | 92.7 | Very high | 39 Ų | 39 | 79.7 Ų | 79.7 | 18% | 0.181 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.2 | 174.4 | -179 | 92.1 | 0 | 0 | 0 | 109.3 | Y156 C157 | Y156-H167 AromaticContact CD2-CD2 3.8Å; Y156-H167 AromaticContact CD2-NE2 3.97Å; Y156-H167 AromaticContact CG-NE2 3.94Å; C157-H167 VanDerWaalsContact SG-CE1 3.51Å; C157-H167 PolarHBondContact SG-ND1 2.82Å |
| 168 | C | 96.7 | Very high | 93 | Very high | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.5 | 169.4 | 168.1 | 0 | 0 | 0 | 0 | 108.7 | E170 C171 R172 R173 Y178 C188 | C168-E170 VanDerWaalsContact C-N 3.35Å; C168-E170 PolarHBondContact SG-OE2 3.11Å; C168-C171 HydrophobicContact CB-CB 4.28Å; C168-C171 PolarHBondContact SG-N 3.2Å; C168-R172 VanDerWaalsContact O-CA 3.26Å; C168-R172 WeakPolarHBondContact O-CA 3.27Å; C168-R172 PolarHBondContact O-N 3.43Å; C168-R173 PolarHBondContact N-O 2.82Å; C168-R173 PolarHBondContact O-N 3.24Å; C168-Y178 HydrophobicContact CB-CD2 4.47Å; C168-Y178 HydrophobicContact CB-CE2 3.82Å; C168-C188 VanDerWaalsContact CB-SG 3.59Å; C168-C188 PolarHBondContact SG-SG 3.16Å |
| 169 | R | 96 | Very high | 93.4 | Very high | 180 Ų | 180 | 79 Ų | 79 | 68% | 0.679 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -31.9 | -177.9 | -68.6 | 179.9 | 176.3 | -177 | -0.5 | 111.4 | R172 | R169-R172 VanDerWaalsContact O-CG 3.31Å; R169-R172 WeakPolarHBondContact O-CG 3.33Å |
| 170 | E | 94.9 | Very high | 93.9 | Very high | 115 Ų | 115 | 81.2 Ų | 81.2 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -51.5 | -178.3 | -58.1 | 66.6 | -134 | 0 | 0 | 109.8 | C168 R172 H181 | C168-E170 VanDerWaalsContact C-N 3.35Å; C168-E170 PolarHBondContact SG-OE2 3.11Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 2.92Å; E170-H181 IonicContact OE2-CG 3.71Å |
| 171 | C | 92.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 79.3 Ų | 79.3 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -10.1 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | Y126 C168 R173 H181 C188 | Y126-C171 HydrophobicContact CE1-CB 4.23Å; C168-C171 HydrophobicContact CB-CB 4.28Å; C168-C171 PolarHBondContact SG-N 3.2Å; C171-R173 WeakPolarHBondContact O-CG 3.48Å; C171-R173 PolarHBondContact O-N 3.35Å; C171-H181 PolarHBondContact SG-CE1 2.96Å; C171-H181 PolarHBondContact SG-ND1 3.46Å; C171-C188 PolarHBondContact SG-SG 2.85Å |
| 172 | R | 94.5 | Very high | 94.7 | Very high | 202 Ų | 202 | 78.5 Ų | 78.5 | 76% | 0.762 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 32.2 | -178.6 | -57.1 | -179.3 | -175.8 | 171 | 1.6 | 114.4 | C168 R169 E170 | C168-R172 VanDerWaalsContact O-CA 3.26Å; C168-R172 WeakPolarHBondContact O-CA 3.27Å; C168-R172 PolarHBondContact O-N 3.43Å; R169-R172 VanDerWaalsContact O-CG 3.31Å; R169-R172 WeakPolarHBondContact O-CG 3.33Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 2.92Å |
| 173 | R | 93.5 | Very high | 94.9 | Very high | 143 Ų | 143 | 79.1 Ų | 79.1 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 152 | -176.6 | -68.7 | 176.7 | -172 | 175.8 | 3.1 | 110.6 | Y126 C168 C171 | Y126-R173 HydrophobicContact CD1-CB 3.43Å; Y126-R173 VanDerWaalsContact CD1-CB 3.43Å; Y126-R173 HydrophobicContact CD1-CG 4.23Å; Y126-R173 HydrophobicContact CE1-CB 3.68Å; Y126-R173 HydrophobicContact CE1-CG 4.41Å; Y126-R173 HydrophobicContact CG-CB 4.32Å; C168-R173 PolarHBondContact N-O 2.82Å; C168-R173 PolarHBondContact O-N 3.24Å; C171-R173 WeakPolarHBondContact O-CG 3.48Å; C171-R173 PolarHBondContact O-N 3.35Å |
| 174 | C | 95.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.1 | 169.3 | -71.2 | 0 | 0 | 0 | 0 | 109.9 | Y126 V127 V159 R166 | Y126-C174 CarbonylContact C-O 3.6Å; Y126-C174 WeakPolarHBondContact CA-O 3.21Å; V127-C174 HydrophobicContact CB-CB 3.91Å; V127-C174 HydrophobicContact CG2-CB 3.94Å; V127-C174 PolarHBondContact N-O 3.34Å; V159-C174 HydrophobicContact CG2-CB 4.26Å; R166-C174 WeakPolarHBondContact O-CA 3.12Å |
| 175 | V | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.7 | -179.7 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | P124 Y126 A165 R166 Y178 C188 | P124-V175 HydrophobicContact CB-CG1 3.97Å; P124-V175 HydrophobicContact CG-CG1 4.22Å; Y126-V175 HydrophobicContact CD1-CG2 3.7Å; Y126-V175 HydrophobicContact CE1-CG2 3.6Å; A165-V175 WeakPolarHBondContact CA-O 3.49Å; A165-V175 WeakPolarHBondContact CB-O 3.39Å; R166-V175 PolarHBondContact N-O 2.99Å; R166-V175 PolarHBondContact O-N 2.89Å; V175-Y178 HydrophobicContact CB-CD2 3.94Å; V175-Y178 HydrophobicContact CG1-CD2 4.4Å; V175-Y178 HydrophobicContact CG2-CD2 4.26Å; V175-C188 HydrophobicContact CG1-CB 4.36Å; V175-C188 HydrophobicContact CG2-CB 3.93Å |
| 176 | R | 95.1 | Very high | 95 | Very high | 97 Ų | 97 | 79.2 Ų | 79.2 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 139 | 176 | -67.5 | -176.3 | -177.3 | 143.8 | 0.6 | 110.8 | G125 V127 P162 Y178 E191 | G125-R176 WeakPolarHBondContact O-CB 3.43Å; G125-R176 WeakPolarHBondContact O-CG 3.27Å; G125-R176 PolarHBondContact O-N 2.8Å; V127-R176 HydrophobicContact CG2-CG 3.68Å; P162-R176 HydrophobicContact CG-CG 4.2Å; R176-Y178 PolarHBondContact O-N 3.49Å; R176-Y178 VanDerWaalsContact O-N 3.14Å; R176-E191 HydrophobicContact CB-CB 4.06Å; R176-E191 WeakPolarHBondContact CD-OE2 3.41Å; R176-E191 PolarHBondContact O-N 2.82Å |
| 177 | R | 95.3 | Very high | 95 | Very high | 132 Ų | 132 | 72.7 Ų | 72.7 | 50% | 0.498 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41 | 48.8 | -172.8 | -58.5 | -175.8 | 178.7 | -167 | -7.6 | 111.7 | D179 E191 | R177-D179 PolarHBondContact O-N 3.22Å; R177-E191 HydrophobicContact CB-CB 4.01Å; R177-E191 WeakPolarHBondContact CD-OE1 3.14Å; R177-E191 HydrophobicContact CG-CB 4.17Å; R177-E191 HydrophobicContact CG-CG 4.39Å; R177-E191 IonicContact CZ-OE1 3.66Å; R177-E191 IonicContact NE-OE1 3Å; R177-E191 PolarHBondContact NE-OE1 3.07Å |
| 178 | Y | 96.4 | Very high | 95 | Very high | 49 Ų | 49 | 70.8 Ų | 70.8 | 19% | 0.192 | 30% | 0.301 | C | S | . | . | trans | -55.9 | 124.9 | -177 | 173.6 | -94.4 | 0 | 0 | 0 | 110.3 | R164 R166 C168 V175 R176 H181 | R164-Y178 PolarHBondContact O-N 2.94Å; R166-Y178 HydrophobicContact CB-CD1 3.78Å; R166-Y178 HydrophobicContact CB-CG 3.93Å; R166-Y178 HydrophobicContact CG-CD1 4.23Å; C168-Y178 HydrophobicContact CB-CD2 4.47Å; C168-Y178 HydrophobicContact CB-CE2 3.82Å; V175-Y178 HydrophobicContact CB-CD2 3.94Å; V175-Y178 HydrophobicContact CG1-CD2 4.4Å; V175-Y178 HydrophobicContact CG2-CD2 4.26Å; R176-Y178 PolarHBondContact O-N 3.49Å; R176-Y178 VanDerWaalsContact O-N 3.14Å; Y178-H181 PolarHBondContact OH-N 3.01Å | ||
| 179 | D | 97.2 | Very high | 95.1 | Very high | 83 Ų | 83 | 70.8 Ų | 70.8 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | trans | -96.5 | -70.3 | 173.3 | -171.3 | 55 | 0 | 0 | 0 | 109.1 | R177 V189 | R177-D179 PolarHBondContact O-N 3.22Å; D179-V189 HydrophobicContact CB-CB 4.41Å; D179-V189 HydrophobicContact CB-CG1 4.34Å; D179-V189 WeakPolarHBondContact CB-O 3.34Å; D179-V189 PolarHBondContact N-O 3.48Å | ||
| 180 | H | 97.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 164.7 | 176.3 | 65.1 | -79 | 0 | 0 | 0 | 112.3 | V189 F197 | H180-V189 PolarHBondContact O-N 3.38Å; H180-F197 AromaticContact CE1-CE1 3.8Å; H180-F197 AromaticContact CE1-CZ 3.91Å; H180-F197 AromaticContact NE2-CZ 3.95Å |
| 181 | H | 97.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 122.5 | 161.8 | -179.1 | 80.2 | 0 | 0 | 0 | 107.8 | E170 C171 Y178 P183 | E170-H181 IonicContact OE2-CG 3.71Å; C171-H181 PolarHBondContact SG-CE1 2.96Å; C171-H181 PolarHBondContact SG-ND1 3.46Å; Y178-H181 PolarHBondContact OH-N 3.01Å; H181-P183 WeakPolarHBondContact O-CD 3.22Å |
| 182 | C | 96.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.1 | -179.2 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | W184 M185 E186 N187 V189 | C182-W184 PolarHBondContact O-N 3.22Å; C182-M185 HydrophobicContact CB-CB 4.21Å; C182-M185 HydrophobicContact CB-CG 4.14Å; C182-M185 PolarHBondContact O-N 3.37Å; C182-E186 PolarHBondContact O-N 3.42Å; C182-N187 PolarHBondContact N-O 3.06Å; C182-N187 PolarHBondContact O-N 3.42Å; C182-V189 HydrophobicContact CB-CG2 4.26Å |
| 183 | P | 92.9 | Very high | 95.5 | Very high | 60 Ų | 60 | 56 Ų | 56 | 39% | 0.39 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26.8 | 177.4 | -20.5 | 33.5 | 0 | 0 | 0 | 112.3 | R14 H181 M185 E186 | R14-P183 PolarHBondContact NH1-O 3.44Å; H181-P183 WeakPolarHBondContact O-CD 3.22Å; P183-M185 VanDerWaalsContact C-N 3.33Å; P183-M185 PolarHBondContact O-N 3.27Å; P183-E186 PolarHBondContact O-N 3.07Å |
| 184 | W | 89.9 | Confident | 95.7 | Very high | 187 Ų | 187 | 52.9 Ų | 52.9 | 71% | 0.708 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -34.7 | -179.8 | -50.4 | 110 | 0 | 0 | 0 | 112.3 | Y116 C182 | Y116-W184 PolarHBondContact OH-O 2.87Å; C182-W184 PolarHBondContact O-N 3.22Å |
| 185 | M | 91.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -7.7 | 179 | -52.7 | -58.6 | -80.6 | 0 | 0 | 112.4 | Y116 V119 S120 C182 P183 N187 F197 Y200 | Y116-M185 HydrophobicContact CD2-CE 3.75Å; Y116-M185 HydrophobicContact CD2-SD 3.43Å; Y116-M185 WeakPolarHBondContact CD2-SD 3.31Å; Y116-M185 HydrophobicContact CE2-CE 4.2Å; Y116-M185 HydrophobicContact CE2-SD 3.47Å; Y116-M185 WeakPolarHBondContact CE2-SD 3.31Å; Y116-M185 HydrophobicContact CG-CE 4.38Å; Y116-M185 WeakPolarHBondContact O-CE 3.24Å; V119-M185 HydrophobicContact CB-CE 3.51Å; V119-M185 HydrophobicContact CG1-CE 3.54Å; S120-M185 WeakPolarHBondContact OG-CE 3.32Å; C182-M185 HydrophobicContact CB-CB 4.21Å; C182-M185 HydrophobicContact CB-CG 4.14Å; C182-M185 PolarHBondContact O-N 3.37Å; P183-M185 VanDerWaalsContact C-N 3.33Å; P183-M185 PolarHBondContact O-N 3.27Å; M185-N187 HydrophobicContact CB-CB 4.41Å; M185-N187 PolarHBondContact O-N 3.27Å; M185-N187 VanDerWaalsContact O-N 3.07Å; M185-F197 HydrophobicContact CG-CE2 4.41Å; M185-Y200 HydrophobicContact CE-CD1 4.49Å; M185-Y200 HydrophobicContact CE-CE1 4.43Å; M185-Y200 HydrophobicContact SD-CE1 4.11Å |
| 186 | E | 93.4 | Very high | 95.8 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 33.9 | -170 | -70.9 | -68.7 | 128.6 | 0 | 0 | 112.7 | V11 R14 C182 P183 | V11-E186 HydrophobicContact CG2-CB 4.37Å; V11-E186 HydrophobicContact CG2-CG 4.15Å; R14-E186 IonicContact CZ-OE1 2.84Å; R14-E186 IonicContact NH1-OE1 3.81Å; R14-E186 PolarHBondContact NH1-OE1 3.01Å; R14-E186 IonicContact NH2-OE1 2.61Å; C182-E186 PolarHBondContact O-N 3.42Å; P183-E186 PolarHBondContact O-N 3.07Å |
| 187 | N | 94.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.9 | -175.3 | -164.6 | 11.6 | 0 | 0 | 0 | 110.7 | V119 S120 M122 Y126 C182 M185 | V119-N187 PolarHBondContact O-ND2 3.35Å; S120-N187 PolarHBondContact O-ND2 2.61Å; M122-N187 PolarHBondContact O-ND2 2.81Å; Y126-N187 PolarHBondContact OH-OD1 2.79Å; C182-N187 PolarHBondContact N-O 3.06Å; C182-N187 PolarHBondContact O-N 3.42Å; M185-N187 HydrophobicContact CB-CB 4.41Å; M185-N187 PolarHBondContact O-N 3.27Å; M185-N187 VanDerWaalsContact O-N 3.07Å |
| 188 | C | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 151.3 | 171.4 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | P124 C168 C171 V175 N193 | P124-C188 HydrophobicContact CB-CB 4.06Å; P124-C188 VanDerWaalsContact CB-O 3.31Å; P124-C188 WeakPolarHBondContact CB-O 3.5Å; P124-C188 HydrophobicContact CG-CB 3.92Å; C168-C188 VanDerWaalsContact CB-SG 3.59Å; C168-C188 PolarHBondContact SG-SG 3.16Å; C171-C188 PolarHBondContact SG-SG 2.85Å; V175-C188 HydrophobicContact CG1-CB 4.36Å; V175-C188 HydrophobicContact CG2-CB 3.93Å; C188-N193 PolarHBondContact O-ND2 3.26Å |
| 189 | V | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.2 | 163.7 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | D179 H180 C182 N193 H194 F197 | D179-V189 HydrophobicContact CB-CB 4.41Å; D179-V189 HydrophobicContact CB-CG1 4.34Å; D179-V189 WeakPolarHBondContact CB-O 3.34Å; D179-V189 PolarHBondContact N-O 3.48Å; H180-V189 PolarHBondContact O-N 3.38Å; C182-V189 HydrophobicContact CB-CG2 4.26Å; V189-N193 WeakPolarHBondContact CA-OD1 3.28Å; V189-H194 HydrophobicContact CG1-CB 4.08Å; V189-F197 HydrophobicContact CG1-CB 4.15Å; V189-F197 HydrophobicContact CG1-CD1 3.96Å; V189-F197 HydrophobicContact CG1-CG 4.08Å; V189-F197 HydrophobicContact CG2-CD1 4.18Å; V189-F197 HydrophobicContact CG2-CD2 3.94Å; V189-F197 HydrophobicContact CG2-CE1 4.34Å; V189-F197 HydrophobicContact CG2-CE2 4.12Å; V189-F197 HydrophobicContact CG2-CG 3.96Å; V189-F197 HydrophobicContact CG2-CZ 4.32Å |
| 190 | G | 96.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | -150.4 | -168.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P124 R192 N193 H194 | P124-G190 CarbonylContact O-C 3.3Å; P124-G190 VanDerWaalsContact O-C 3.3Å; G190-R192 PolarHBondContact O-N 2.87Å; G190-N193 PolarHBondContact N-OD1 3.49Å; G190-N193 PolarHBondContact O-N 3.2Å; G190-N193 PolarHBondContact O-OD1 3.08Å; G190-H194 WeakPolarHBondContact O-CB 3.47Å; G190-H194 PolarHBondContact O-N 2.83Å | ||
| 191 | E | 95.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | -42.7 | -172.2 | -177.6 | 166.4 | -112.3 | 0 | 0 | 114.8 | P124 R176 R177 | P124-E191 PolarHBondContact O-N 2.84Å; R176-E191 HydrophobicContact CB-CB 4.06Å; R176-E191 WeakPolarHBondContact CD-OE2 3.41Å; R176-E191 PolarHBondContact O-N 2.82Å; R177-E191 HydrophobicContact CB-CB 4.01Å; R177-E191 WeakPolarHBondContact CD-OE1 3.14Å; R177-E191 HydrophobicContact CG-CB 4.17Å; R177-E191 HydrophobicContact CG-CG 4.39Å; R177-E191 IonicContact CZ-OE1 3.66Å; R177-E191 IonicContact NE-OE1 3Å; R177-E191 PolarHBondContact NE-OE1 3.07Å |
| 192 | R | 95.8 | Very high | 96.1 | Very high | 138 Ų | 138 | 54.6 Ų | 54.6 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -31.4 | -170.8 | -63.8 | -175.6 | 77.7 | 175.9 | 6.4 | 114 | M122 D123 P124 G190 | M122-R192 HydrophobicContact CE-CB 4.24Å; M122-R192 WeakPolarHBondContact CE-O 3.19Å; D123-R192 VanDerWaalsContact O-CB 3.27Å; D123-R192 WeakPolarHBondContact O-CB 3.42Å; D123-R192 IonicContact OD2-CZ 3.96Å; D123-R192 IonicContact OD2-NH1 3.97Å; D123-R192 PolarHBondContact OD2-NH1 2.75Å; P124-R192 PolarHBondContact O-N 3.43Å; P124-R192 VanDerWaalsContact O-N 3.11Å; G190-R192 PolarHBondContact O-N 2.87Å |
| 193 | N | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -10 | -175.4 | 69.3 | -14.9 | 0 | 0 | 0 | 113.9 | M122 C188 V189 G190 L196 F197 | M122-N193 HydrophobicContact CB-CB 4.25Å; M122-N193 HydrophobicContact CG-CB 4.09Å; M122-N193 HydrophobicContact SD-CB 3.72Å; C188-N193 PolarHBondContact O-ND2 3.26Å; V189-N193 WeakPolarHBondContact CA-OD1 3.28Å; G190-N193 PolarHBondContact N-OD1 3.49Å; G190-N193 PolarHBondContact O-N 3.2Å; G190-N193 PolarHBondContact O-OD1 3.08Å; N193-L196 PolarHBondContact O-N 3.02Å; N193-F197 WeakPolarHBondContact O-CB 3.43Å; N193-F197 PolarHBondContact O-N 2.85Å |
| 194 | H | 97.4 | Very high | 96.2 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -51.7 | -46.8 | 177 | -170.9 | 80.3 | 0 | 0 | 0 | 114.8 | V189 G190 L196 F197 V198 | V189-H194 HydrophobicContact CG1-CB 4.08Å; G190-H194 WeakPolarHBondContact O-CB 3.47Å; G190-H194 PolarHBondContact O-N 2.83Å; H194-L196 PolarHBondContact O-N 3.25Å; H194-F197 WeakPolarHBondContact O-CB 3.42Å; H194-F197 PolarHBondContact O-N 3.05Å; H194-V198 WeakPolarHBondContact O-CG2 3.41Å; H194-V198 PolarHBondContact O-N 3.17Å |
| 195 | P | 97.3 | Very high | 96.6 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 179.5 | 23.8 | -33.1 | 0 | 0 | 0 | 112.4 | F197 V198 V199 | P195-F197 VanDerWaalsContact C-N 3.35Å; P195-V198 PolarHBondContact O-N 3.38Å; P195-V199 WeakPolarHBondContact O-CG2 3.47Å; P195-V199 PolarHBondContact O-N 2.93Å; P195-V199 VanDerWaalsContact O-N 3.08Å |
| 196 | L | 97 | Very high | 96.7 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.4 | -34.9 | 176.7 | -67.8 | -178.8 | 0 | 0 | 0 | 112.1 | V119 M122 N193 H194 V198 V199 Y200 | V119-L196 HydrophobicContact CG2-CB 3.63Å; M122-L196 HydrophobicContact CE-CD1 4.42Å; M122-L196 HydrophobicContact SD-CD1 3.67Å; N193-L196 PolarHBondContact O-N 3.02Å; H194-L196 PolarHBondContact O-N 3.25Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 3.5Å; L196-V199 PolarHBondContact O-N 3.5Å; L196-Y200 WeakPolarHBondContact O-CB 3.39Å; L196-Y200 PolarHBondContact O-N 2.92Å |
| 197 | F | 97.3 | Very high | 96.8 | Very high | 21 Ų | 21 | 50 Ų | 50 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -42 | 172.9 | 178.9 | -104.6 | 0 | 0 | 0 | 111.5 | V119 H180 M185 V189 N193 H194 P195 Y200 L201 | V119-F197 HydrophobicContact CG1-CB 4.08Å; V119-F197 HydrophobicContact CG1-CD2 4.12Å; H180-F197 AromaticContact CE1-CE1 3.8Å; H180-F197 AromaticContact CE1-CZ 3.91Å; H180-F197 AromaticContact NE2-CZ 3.95Å; M185-F197 HydrophobicContact CG-CE2 4.41Å; V189-F197 HydrophobicContact CG1-CB 4.15Å; V189-F197 HydrophobicContact CG1-CD1 3.96Å; V189-F197 HydrophobicContact CG1-CG 4.08Å; V189-F197 HydrophobicContact CG2-CD1 4.18Å; V189-F197 HydrophobicContact CG2-CD2 3.94Å; V189-F197 HydrophobicContact CG2-CE1 4.34Å; V189-F197 HydrophobicContact CG2-CE2 4.12Å; V189-F197 HydrophobicContact CG2-CG 3.96Å; V189-F197 HydrophobicContact CG2-CZ 4.32Å; N193-F197 WeakPolarHBondContact O-CB 3.43Å; N193-F197 PolarHBondContact O-N 2.85Å; H194-F197 WeakPolarHBondContact O-CB 3.42Å; H194-F197 PolarHBondContact O-N 3.05Å; P195-F197 VanDerWaalsContact C-N 3.35Å; F197-Y200 HydrophobicContact CD2-CD1 4.49Å; F197-Y200 WeakPolarHBondContact O-CB 3.46Å; F197-Y200 PolarHBondContact O-N 3.47Å; F197-L201 HydrophobicContact CD1-CD1 4.07Å; F197-L201 HydrophobicContact CE1-CD1 3.53Å; F197-L201 HydrophobicContact CE1-CG 4.18Å; F197-L201 HydrophobicContact CE2-CD2 4.44Å; F197-L201 HydrophobicContact CE2-CG 4.5Å; F197-L201 HydrophobicContact CZ-CD1 3.85Å; F197-L201 HydrophobicContact CZ-CD2 4.21Å; F197-L201 HydrophobicContact CZ-CG 4.18Å; F197-L201 WeakPolarHBondContact O-CG 3.13Å; F197-L201 PolarHBondContact O-N 3.47Å |
| 198 | V | 97.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.7 | 176 | 0 | 0 | 0 | 0 | 111.6 | H194 P195 L196 Y200 L201 A202 | H194-V198 WeakPolarHBondContact O-CG2 3.41Å; H194-V198 PolarHBondContact O-N 3.17Å; P195-V198 PolarHBondContact O-N 3.38Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 3.5Å; V198-Y200 VanDerWaalsContact C-N 3.33Å; V198-Y200 PolarHBondContact O-N 3.01Å; V198-L201 PolarHBondContact O-N 3.41Å; V198-A202 PolarHBondContact O-N 3.18Å |
| 199 | V | 97.9 | Very high | 96.5 | Very high | 78 Ų | 78 | 61.9 Ų | 61.9 | 47% | 0.473 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L115 P195 L196 A202 L203 | L115-V199 HydrophobicContact CD1-CG1 4.23Å; L115-V199 HydrophobicContact CD2-CG1 4.16Å; P195-V199 WeakPolarHBondContact O-CG2 3.47Å; P195-V199 PolarHBondContact O-N 2.93Å; P195-V199 VanDerWaalsContact O-N 3.08Å; L196-V199 PolarHBondContact O-N 3.5Å; V199-A202 PolarHBondContact O-N 3.48Å; V199-L203 WeakPolarHBondContact O-CB 3.43Å; V199-L203 PolarHBondContact O-N 2.91Å |
| 200 | Y | 97.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 69.1 Ų | 69.1 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.1 | 166.2 | -110.4 | 0 | 0 | 0 | 111.8 | L115 M185 L196 F197 V198 A202 L203 Q204 | L115-Y200 HydrophobicContact CB-CD2 4.12Å; M185-Y200 HydrophobicContact CE-CD1 4.49Å; M185-Y200 HydrophobicContact CE-CE1 4.43Å; M185-Y200 HydrophobicContact SD-CE1 4.11Å; L196-Y200 WeakPolarHBondContact O-CB 3.39Å; L196-Y200 PolarHBondContact O-N 2.92Å; F197-Y200 HydrophobicContact CD2-CD1 4.49Å; F197-Y200 WeakPolarHBondContact O-CB 3.46Å; F197-Y200 PolarHBondContact O-N 3.47Å; V198-Y200 VanDerWaalsContact C-N 3.33Å; V198-Y200 PolarHBondContact O-N 3.01Å; Y200-A202 PolarHBondContact O-N 3.08Å; Y200-L203 PolarHBondContact O-N 3Å; Y200-Q204 WeakPolarHBondContact O-CB 3.26Å; Y200-Q204 PolarHBondContact O-N 3.02Å |
| 201 | L | 96.9 | Very high | 96 | Very high | 87 Ų | 87 | 72.6 Ų | 72.6 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 177.2 | -67.6 | -179 | 0 | 0 | 0 | 112.5 | F197 V198 Q204 L205 | F197-L201 HydrophobicContact CD1-CD1 4.07Å; F197-L201 HydrophobicContact CE1-CD1 3.53Å; F197-L201 HydrophobicContact CE1-CG 4.18Å; F197-L201 HydrophobicContact CE2-CD2 4.44Å; F197-L201 HydrophobicContact CE2-CG 4.5Å; F197-L201 HydrophobicContact CZ-CD1 3.85Å; F197-L201 HydrophobicContact CZ-CD2 4.21Å; F197-L201 HydrophobicContact CZ-CG 4.18Å; F197-L201 WeakPolarHBondContact O-CG 3.13Å; F197-L201 PolarHBondContact O-N 3.47Å; V198-L201 PolarHBondContact O-N 3.41Å; L201-Q204 PolarHBondContact O-N 3.04Å; L201-L205 PolarHBondContact O-N 3.11Å |
| 202 | A | 98 | Very high | 96 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V198 V199 Y200 Q204 L205 V206 | V198-A202 PolarHBondContact O-N 3.18Å; V199-A202 PolarHBondContact O-N 3.48Å; Y200-A202 PolarHBondContact O-N 3.08Å; A202-Q204 VanDerWaalsContact C-N 3.34Å; A202-Q204 PolarHBondContact O-N 2.91Å; A202-L205 WeakPolarHBondContact O-CB 3.31Å; A202-L205 PolarHBondContact O-N 2.98Å; A202-V206 WeakPolarHBondContact O-CG2 3.15Å; A202-V206 PolarHBondContact O-N 3.33Å |
| 203 | L | 96.7 | Very high | 96 | Very high | 31 Ų | 31 | 68.7 Ų | 68.7 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.7 | -179.6 | 60.9 | 0 | 0 | 0 | 111.4 | L108 L115 V199 Y200 L205 V206 V207 | L108-L203 HydrophobicContact CD2-CD1 3.66Å; L115-L203 HydrophobicContact CD1-CD2 3.44Å; L115-L203 VanDerWaalsContact CD1-CD2 3.44Å; V199-L203 WeakPolarHBondContact O-CB 3.43Å; V199-L203 PolarHBondContact O-N 2.91Å; Y200-L203 PolarHBondContact O-N 3Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 3.47Å; L203-V206 PolarHBondContact O-N 3.13Å; L203-V207 HydrophobicContact CD1-CG2 4.45Å; L203-V207 WeakPolarHBondContact O-CG2 3.2Å; L203-V207 PolarHBondContact O-N 2.68Å |
| 204 | Q | 95.6 | Very high | 96 | Very high | 40 Ų | 40 | 72.8 Ų | 72.8 | 19% | 0.187 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 176.2 | -169.6 | 60 | 45.1 | 0 | 0 | 111.5 | S112 Y200 L201 A202 V207 L208 | S112-Q204 PolarHBondContact OG-OE1 3.38Å; S112-Q204 VanDerWaalsContact OG-OE1 3.05Å; Y200-Q204 WeakPolarHBondContact O-CB 3.26Å; Y200-Q204 PolarHBondContact O-N 3.02Å; L201-Q204 PolarHBondContact O-N 3.04Å; A202-Q204 VanDerWaalsContact C-N 3.34Å; A202-Q204 PolarHBondContact O-N 2.91Å; Q204-V207 PolarHBondContact O-N 3.33Å; Q204-L208 HydrophobicContact CG-CD1 4.3Å; Q204-L208 WeakPolarHBondContact O-CB 3.42Å; Q204-L208 WeakPolarHBondContact O-CG 3.44Å; Q204-L208 PolarHBondContact O-N 2.94Å |
| 205 | L | 96.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 72.4 Ų | 72.4 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 173.6 | 179.7 | 63.3 | 0 | 0 | 0 | 111.5 | L201 A202 L203 V207 L208 L209 | L201-L205 PolarHBondContact O-N 3.11Å; A202-L205 WeakPolarHBondContact O-CB 3.31Å; A202-L205 PolarHBondContact O-N 2.98Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 3.47Å; L205-V207 VanDerWaalsContact C-N 3.35Å; L205-V207 PolarHBondContact O-N 3.37Å; L205-L208 PolarHBondContact O-N 3.47Å; L205-L209 HydrophobicContact CD1-CD1 3.96Å; L205-L209 HydrophobicContact CD1-CG 4.14Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 HydrophobicContact CG-CG 4.45Å; L205-L209 VanDerWaalsContact O-CG 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.13Å; L205-L209 PolarHBondContact O-N 3.03Å |
| 206 | V | 95.9 | Very high | 95.8 | Very high | 72 Ų | 72 | 72.3 Ų | 72.3 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.6 | 172 | 0 | 0 | 0 | 0 | 111.1 | L108 A202 L203 L208 L209 W210 | L108-V206 HydrophobicContact CD1-CG1 4.42Å; A202-V206 WeakPolarHBondContact O-CG2 3.15Å; A202-V206 PolarHBondContact O-N 3.33Å; L203-V206 PolarHBondContact O-N 3.13Å; V206-L208 VanDerWaalsContact C-N 3.29Å; V206-L208 PolarHBondContact O-N 3.09Å; V206-L209 PolarHBondContact O-N 3.17Å; V206-W210 PolarHBondContact O-N 2.96Å; V206-W210 VanDerWaalsContact O-N 3.1Å |
| 207 | V | 94.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -34.2 | 177.6 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | W22 F105 L108 V109 L203 Q204 L205 L209 | W22-V207 HydrophobicContact CH2-CG1 3.96Å; F105-V207 HydrophobicContact CE2-CG1 4.38Å; L108-V207 HydrophobicContact CB-CG2 3.83Å; V109-V207 HydrophobicContact CG2-CG1 4.35Å; L203-V207 HydrophobicContact CD1-CG2 4.45Å; L203-V207 WeakPolarHBondContact O-CG2 3.2Å; L203-V207 PolarHBondContact O-N 2.68Å; Q204-V207 PolarHBondContact O-N 3.33Å; L205-V207 VanDerWaalsContact C-N 3.35Å; L205-V207 PolarHBondContact O-N 3.37Å; V207-L209 VanDerWaalsContact C-N 3.35Å |
| 208 | L | 93 | Very high | 95.6 | Very high | 125 Ų | 125 | 76.8 Ų | 76.8 | 65% | 0.654 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -75.3 | -23 | 177.2 | -73 | 171.6 | 0 | 0 | 0 | 113.6 | Q204 L205 V206 | Q204-L208 HydrophobicContact CG-CD1 4.3Å; Q204-L208 WeakPolarHBondContact O-CB 3.42Å; Q204-L208 WeakPolarHBondContact O-CG 3.44Å; Q204-L208 PolarHBondContact O-N 2.94Å; L205-L208 PolarHBondContact O-N 3.47Å; V206-L208 VanDerWaalsContact C-N 3.29Å; V206-L208 PolarHBondContact O-N 3.09Å |
| 209 | L | 93.7 | Very high | 95.4 | Very high | 138 Ų | 138 | 77 Ų | 77 | 72% | 0.723 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -93.7 | -10.2 | 179.2 | -68.5 | 175.4 | 0 | 0 | 0 | 113.1 | L205 V206 V207 | L205-L209 HydrophobicContact CD1-CD1 3.96Å; L205-L209 HydrophobicContact CD1-CG 4.14Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 HydrophobicContact CG-CG 4.45Å; L205-L209 VanDerWaalsContact O-CG 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.13Å; L205-L209 PolarHBondContact O-N 3.03Å; V206-L209 PolarHBondContact O-N 3.17Å; V207-L209 VanDerWaalsContact C-N 3.35Å |
| 210 | W | 88.8 | Confident | 95.1 | Very high | 154 Ų | 154 | 76.9 Ų | 76.9 | 58% | 0.583 | 40% | 0.396 | S | S | * | . | trans | -76.1 | 0 | 174 | -169.5 | -76.9 | 0 | 0 | 0 | 110.6 | L101 T104 F105 L108 V206 | L101-W210 HydrophobicContact CD1-CH2 3.77Å; L101-W210 HydrophobicContact CD1-CZ2 3.25Å; L101-W210 HydrophobicContact CG-CZ2 3.66Å; T104-W210 WeakPolarHBondContact OG1-CH2 3.4Å; T104-W210 WeakPolarHBondContact OG1-CZ2 3.42Å; F105-W210 HydrophobicContact CD2-CB 4.48Å; F105-W210 AromaticContact CD2-CD1 3.49Å; F105-W210 VanDerWaalsContact CD2-CD1 3.49Å; F105-W210 AromaticContact CD2-CG 3.99Å; F105-W210 HydrophobicContact CD2-CG 3.99Å; F105-W210 AromaticContact CD2-NE1 3.89Å; L108-W210 HydrophobicContact CD1-CE3 4.09Å; L108-W210 HydrophobicContact CD1-CZ3 4.32Å; V206-W210 PolarHBondContact O-N 2.96Å; V206-W210 VanDerWaalsContact O-N 3.1Å |
Retrieved 210 of 210 residues in 48.7 ms
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